A0A5K4F252_SCHMA Loading...

Putative 12-lipoxygenase

AlphaFold DB , UniProt , Accession A0A5K4F252, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 722 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	35.6	Very low	62.6	Low	243 Å²	243	85.3 Å²	85.3	100%	1.197	53%	0.529	S	S	*	.				0	69.4	0	-69	-152.1	-85.3	0	0	109.9	G3	M1-G3 VanDerWaalsContact C-N 3.29Å; M1-G3 PolarHBondContact O-N 3.2Å; M1-G3 VanDerWaalsContact O-N 3.09Å
2	G	31.6	Very low	65.2	Low	82 Å²	82	78.3 Å²	78.3	85%	0.845	49%	0.486	S	S	*	.			trans	-78.4	88.3	167.2	0	0	0	0	0	107.1	T4	G2-T4 PolarHBondContact O-N 2.8Å; G2-T4 VanDerWaalsContact O-N 3.15Å
3	G	33.7	Very low	67.3	Low	70 Å²	70	72.7 Å²	72.7	72%	0.722	45%	0.451	S	S	*	.			trans	-54.7	121.8	172.8	0	0	0	0	0	107.8	M1 S5	M1-G3 VanDerWaalsContact C-N 3.29Å; M1-G3 PolarHBondContact O-N 3.2Å; M1-G3 VanDerWaalsContact O-N 3.09Å; G3-S5 VanDerWaalsContact C-N 3.25Å; G3-S5 PolarHBondContact O-N 2.89Å
4	T	39.1	Very low	69.2	Low	129 Å²	129	67.8 Å²	67.8	79%	0.791	42%	0.421	S	S	*	.			trans	-54.3	96.6	167.7	39.6	0	0	0	0	107.2	G2 T6	G2-T4 PolarHBondContact O-N 2.8Å; G2-T4 VanDerWaalsContact O-N 3.15Å; T4-T6 PolarHBondContact O-N 2.94Å
5	S	45.8	Very low	70.8	Confident	103 Å²	103	64.1 Å²	64.1	72%	0.72	40%	0.398	S	S	*	.			trans	-58.7	94.9	160.3	160.4	0	0	0	0	105.1	G3 K7	G3-S5 VanDerWaalsContact C-N 3.25Å; G3-S5 PolarHBondContact O-N 2.89Å; S5-K7 PolarHBondContact O-N 3.46Å
6	T	56.2	Low	72.1	Confident	83 Å²	83	60.8 Å²	60.8	51%	0.509	38%	0.377	S	S	.	.			trans	-59.6	111.3	167.9	42.4	0	0	0	0	105.1	T4 I8 D63	T4-T6 PolarHBondContact O-N 2.94Å; T6-I8 PolarHBondContact O-N 3.44Å; T6-D63 WeakPolarHBondContact CB-OD2 3.44Å; T6-D63 PolarHBondContact OG1-OD2 3.11Å
7	K	82.3	Confident	73.2	Confident	151 Å²	151	59.5 Å²	59.5	66%	0.657	38%	0.379	S	S	*	.			trans	-66.8	119.9	176.8	-75.4	-174.9	175.1	-177.6	0	106	S5 A9 L64	S5-K7 PolarHBondContact O-N 3.46Å; K7-A9 PolarHBondContact O-N 3.08Å; K7-L64 HydrophobicContact CB-CB 4.17Å; K7-L64 HydrophobicContact CB-CD2 4.27Å; K7-L64 WeakPolarHBondContact O-CA 3.43Å; K7-L64 WeakPolarHBondContact O-CB 3.38Å; K7-L64 PolarHBondContact O-N 3.15Å
8	I	87.4	Confident	74.2	Confident	44 Å²	44	57.1 Å²	57.1	23%	0.226	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	129.5	173.4	-62.7	165.8	0	0	0	108	T6 F10 E11 T61 R103	T6-I8 PolarHBondContact O-N 3.44Å; I8-F10 VanDerWaalsContact CG2-O 3.28Å; I8-F10 WeakPolarHBondContact CG2-O 3.37Å; I8-E11 HydrophobicContact CG2-CG 4.01Å; I8-T61 HydrophobicContact CD1-CG2 3.99Å; I8-T61 HydrophobicContact CG2-CG2 4.48Å; I8-R103 WeakPolarHBondContact O-CB 3.5Å
9	A	91	Very high	75.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-47.4	172.8	0	0	0	0	0	111.5	K7 I62 L64 R103 R104	K7-A9 PolarHBondContact O-N 3.08Å; A9-I62 WeakPolarHBondContact CA-O 3.28Å; A9-I62 PolarHBondContact N-O 3.35Å; A9-L64 HydrophobicContact CB-CB 4.23Å; A9-L64 HydrophobicContact CB-CD1 3.96Å; A9-R103 PolarHBondContact O-N 3.01Å; A9-R104 HydrophobicContact CB-CG 3.84Å
10	F	93.1	Very high	75.5	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.9	-179.3	-55.4	-85.2	0	0	0	112	I8 I62 W67 F73 I100 R101 D102	I8-F10 VanDerWaalsContact CG2-O 3.28Å; I8-F10 WeakPolarHBondContact CG2-O 3.37Å; F10-I62 HydrophobicContact CB-CB 4.2Å; F10-I62 HydrophobicContact CB-CD1 4.28Å; F10-I62 HydrophobicContact CD2-CG2 4.4Å; F10-I62 PolarHBondContact N-O 2.86Å; F10-I62 VanDerWaalsContact N-O 3.07Å; F10-I62 PolarHBondContact O-N 2.82Å; F10-W67 HydrophobicContact CD2-CH2 4.22Å; F10-W67 AromaticContact CE2-CH2 3.85Å; F10-W67 HydrophobicContact CE2-CH2 3.85Å; F10-W67 HydrophobicContact CE2-CZ3 4.02Å; F10-F73 HydrophobicContact CZ-CD1 4.11Å; F10-F73 HydrophobicContact CZ-CE1 4.18Å; F10-I100 HydrophobicContact CB-CG2 4.25Å; F10-I100 HydrophobicContact CD1-CG2 3.96Å; F10-I100 HydrophobicContact CG-CG2 4.46Å; F10-R101 CarbonylContact C-O 3.5Å; F10-R101 WeakPolarHBondContact CA-O 3.47Å; F10-D102 HydrophobicContact CD1-CB 3.96Å; F10-D102 HydrophobicContact CE1-CB 3.91Å
11	E	92.4	Very high	76	Confident	33 Å²	33	55.7 Å²	55.7	15%	0.154	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.1	164	-60.7	176.7	-178.4	0	0	108.4	I8 F60 T61 I100 R101 R103 W111	I8-E11 HydrophobicContact CG2-CG 4.01Å; E11-F60 CarbonylContact C-O 3.58Å; E11-F60 VanDerWaalsContact CA-O 3.31Å; E11-F60 WeakPolarHBondContact CA-O 2.88Å; E11-T61 HydrophobicContact CG-CG2 4.33Å; E11-I100 CarbonylContact O-C 3.6Å; E11-I100 WeakPolarHBondContact O-CA 3.47Å; E11-R101 HydrophobicContact CB-CB 4.15Å; E11-R101 HydrophobicContact CB-CG 4.43Å; E11-R101 PolarHBondContact N-O 3.36Å; E11-R101 PolarHBondContact O-N 2.71Å; E11-R101 IonicContact OE2-NH1 3.46Å; E11-R101 PolarHBondContact OE2-NH1 2.95Å; E11-R103 IonicContact OE1-CZ 3.56Å; E11-R103 IonicContact OE1-NH1 3.77Å; E11-R103 PolarHBondContact OE1-NH1 2.58Å; E11-W111 VanDerWaalsContact OE2-CZ3 3.22Å; E11-W111 WeakPolarHBondContact OE2-CZ3 3.37Å
12	V	94	Very high	78.4	Confident	1 Å²	1	48 Å²	48	1%	0.006	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.1	177	-174.2	0	0	0	0	107.3	V14 M30 M32 L45 K59 F60 I62 V98 I100	V12-V14 HydrophobicContact CG1-CG2 4.35Å; V12-M30 HydrophobicContact CG1-CE 4.14Å; V12-M30 HydrophobicContact CG2-CE 3.98Å; V12-M32 HydrophobicContact CG2-CE 3.63Å; V12-L45 HydrophobicContact CG1-CD1 4.46Å; V12-K59 CarbonylContact O-C 3.6Å; V12-K59 WeakPolarHBondContact O-CA 3.28Å; V12-F60 HydrophobicContact CB-CB 4.32Å; V12-F60 PolarHBondContact N-O 2.82Å; V12-F60 PolarHBondContact O-N 2.97Å; V12-I62 HydrophobicContact CG2-CD1 3.7Å; V12-I62 HydrophobicContact CG2-CG1 4.42Å; V12-V98 HydrophobicContact CG1-CG1 3.8Å; V12-I100 HydrophobicContact CG1-CG1 4.28Å; V12-I100 HydrophobicContact CG2-CG1 4.28Å
13	C	93	Very high	80.9	Confident	6 Å²	6	51.3 Å²	51.3	4%	0.041	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.8	174.1	-176.1	0	0	0	0	108.7	A58 K59 V98 I99	C13-A58 CarbonylContact C-O 3.59Å; C13-A58 VanDerWaalsContact CA-O 3.25Å; C13-A58 WeakPolarHBondContact CA-O 3.32Å; C13-K59 HydrophobicContact CB-CG 4.28Å; C13-V98 CarbonylContact O-C 3.4Å; C13-V98 WeakPolarHBondContact O-CA 3.41Å; C13-I99 HydrophobicContact CB-CB 4.25Å; C13-I99 PolarHBondContact N-O 2.92Å; C13-I99 PolarHBondContact O-N 3.45Å
14	V	93.3	Very high	83.4	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.024	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.1	179	-179.4	0	0	0	0	107	V12 L45 Q57 A58 F60 W93 L95	V12-V14 HydrophobicContact CG1-CG2 4.35Å; V14-L45 HydrophobicContact CG2-CD1 4.3Å; V14-Q57 WeakPolarHBondContact O-CA 3.39Å; V14-A58 HydrophobicContact CB-CB 4.36Å; V14-A58 PolarHBondContact N-O 3.16Å; V14-A58 PolarHBondContact O-N 3.34Å; V14-F60 HydrophobicContact CG2-CE2 4.46Å; V14-W93 HydrophobicContact CG1-CZ2 3.86Å; V14-L95 HydrophobicContact CG1-CD1 3.51Å
15	V	93.1	Very high	85.7	Confident	13 Å²	13	45.9 Å²	45.9	8%	0.079	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	117	178.6	-175	0	0	0	0	108.2	T56 Q57 L95 D96 R97 I99	V15-T56 WeakPolarHBondContact CA-O 3.37Å; V15-Q57 HydrophobicContact CG1-CG 4.44Å; V15-Q57 HydrophobicContact CG2-CG 4.41Å; V15-L95 WeakPolarHBondContact O-CD1 3.4Å; V15-D96 HydrophobicContact CG1-CB 4.37Å; V15-D96 WeakPolarHBondContact O-CB 3.46Å; V15-D96 PolarHBondContact O-N 3.27Å; V15-R97 HydrophobicContact CB-CG 3.7Å; V15-R97 HydrophobicContact CG1-CG 4.32Å; V15-R97 HydrophobicContact CG2-CG 3.85Å; V15-R97 PolarHBondContact N-O 3.28Å; V15-R97 PolarHBondContact O-N 2.84Å; V15-I99 HydrophobicContact CG2-CD1 4.23Å
16	T	92.7	Very high	87.8	Confident	10 Å²	10	41 Å²	41	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.6	-178.6	-64.4	0	0	0	0	108.9	D18 F49 Y55 T56 W93	T16-D18 VanDerWaalsContact CG2-O 3.26Å; T16-D18 WeakPolarHBondContact CG2-O 3.49Å; T16-F49 HydrophobicContact CG2-CZ 4.08Å; T16-F49 WeakPolarHBondContact OG1-CZ 3.48Å; T16-Y55 WeakPolarHBondContact CB-O 3.5Å; T16-Y55 WeakPolarHBondContact CG2-O 3.26Å; T16-T56 PolarHBondContact N-O 3.41Å; T16-W93 PolarHBondContact OG1-NE1 3.2Å
17	G	90.1	Very high	89.4	Confident	40 Å²	40	37.3 Å²	37.3	41%	0.412	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-26.2	175.2	0	0	0	0	0	113	F94	G17-F94 PolarHBondContact N-O 3.24Å
18	D	91.4	Very high	89.9	Confident	15 Å²	15	30.3 Å²	30.3	8%	0.08	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	150.1	175.6	-153.6	-5.1	0	0	0	111.9	T16 F94 W121 F180 S181	T16-D18 VanDerWaalsContact CG2-O 3.26Å; T16-D18 WeakPolarHBondContact CG2-O 3.49Å; D18-F94 HydrophobicContact CB-CB 3.94Å; D18-F94 PolarHBondContact O-N 3.34Å; D18-W121 HydrophobicContact CB-CH2 3.73Å; D18-W121 HydrophobicContact CB-CZ2 4.4Å; D18-W121 HydrophobicContact CB-CZ3 4.29Å; D18-F180 HydrophobicContact CB-CD1 3.72Å; D18-F180 HydrophobicContact CB-CE1 4.2Å; D18-F180 WeakPolarHBondContact OD2-CA 3.3Å; D18-F180 WeakPolarHBondContact OD2-CB 3.41Å; D18-S181 VanDerWaalsContact CG-OG 3.25Å; D18-S181 WeakPolarHBondContact OD1-CB 3.36Å; D18-S181 PolarHBondContact OD1-OG 3.26Å; D18-S181 PolarHBondContact OD2-N 2.83Å; D18-S181 PolarHBondContact OD2-OG 3.04Å
19	Y	90.2	Very high	90.3	Very high	22 Å²	22	29.6 Å²	29.6	9%	0.086	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	135	178.6	-177.8	-108.6	0	0	0	112.4	G21 D22 G25 P26 F49 Y55 P91 A92 W93	Y19-G21 VanDerWaalsContact CE1-CA 3.48Å; Y19-G21 VanDerWaalsContact CE1-N 3.26Å; Y19-G21 VanDerWaalsContact OH-CA 3.3Å; Y19-G21 WeakPolarHBondContact OH-CA 3.4Å; Y19-D22 WeakPolarHBondContact CE1-O 3.2Å; Y19-D22 PolarHBondContact OH-N 3.31Å; Y19-D22 PolarHBondContact OH-O 3.24Å; Y19-G25 VanDerWaalsContact OH-CA 3.32Å; Y19-G25 WeakPolarHBondContact OH-CA 3.35Å; Y19-P26 HydrophobicContact CE2-CG 4.05Å; Y19-F49 AromaticContact CD1-CD2 3.94Å; Y19-F49 HydrophobicContact CD1-CD2 3.94Å; Y19-F49 AromaticContact CD1-CE2 3.53Å; Y19-F49 HydrophobicContact CD1-CE2 3.53Å; Y19-F49 AromaticContact CD2-CE2 3.98Å; Y19-F49 HydrophobicContact CD2-CE2 3.98Å; Y19-F49 AromaticContact CE1-CD2 3.94Å; Y19-F49 HydrophobicContact CE1-CD2 3.94Å; Y19-F49 AromaticContact CE1-CE2 3.8Å; Y19-F49 HydrophobicContact CE1-CE2 3.8Å; Y19-F49 HydrophobicContact CE2-CE2 4.23Å; Y19-F49 HydrophobicContact CG-CD2 4.47Å; Y19-F49 AromaticContact CG-CE2 3.62Å; Y19-F49 HydrophobicContact CG-CE2 3.62Å; Y19-F49 HydrophobicContact CG-CZ 4.33Å; Y19-Y55 HydrophobicContact CD1-CD2 4.42Å; Y19-Y55 HydrophobicContact CD1-CG 4.34Å; Y19-P91 HydrophobicContact CE2-CB 3.9Å; Y19-P91 HydrophobicContact CE2-CG 4.29Å; Y19-A92 CarbonylContact C-O 3.56Å; Y19-A92 WeakPolarHBondContact CA-O 3.18Å; Y19-A92 WeakPolarHBondContact CD2-O 3.3Å; Y19-W93 HydrophobicContact CD2-CB 3.77Å; Y19-W93 AromaticContact CD2-CD1 3.78Å; Y19-W93 AromaticContact CD2-CG 3.92Å; Y19-W93 HydrophobicContact CD2-CG 3.92Å; Y19-W93 HydrophobicContact CE2-CB 4.21Å; Y19-W93 HydrophobicContact CE2-CG 4.47Å
20	S	84.9	Confident	90.6	Very high	82 Å²	82	29.8 Å²	29.8	57%	0.573	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.2	57.2	178	78.5	0	0	0	0	112.3	A92	S20-A92 PolarHBondContact N-O 3.42Å; S20-A92 VanDerWaalsContact OG-CB 3.29Å; S20-A92 WeakPolarHBondContact OG-CB 3.28Å
21	G	84.3	Confident	90.8	Very high	38 Å²	38	30.3 Å²	30.3	39%	0.392	18%	0.183	S	C	.	.	S	Bend	trans	-129.4	-151.9	175.3	0	0	0	0	0	113	Y19	Y19-G21 VanDerWaalsContact CE1-CA 3.48Å; Y19-G21 VanDerWaalsContact CE1-N 3.26Å; Y19-G21 VanDerWaalsContact OH-CA 3.3Å; Y19-G21 WeakPolarHBondContact OH-CA 3.4Å
22	D	86.7	Confident	91	Very high	83 Å²	83	28.7 Å²	28.7	44%	0.444	18%	0.176	S	C	.	.			trans	-74.8	160.2	179.5	65.4	62.3	0	0	0	112.6	Y19 L24 G25	Y19-D22 WeakPolarHBondContact CE1-O 3.2Å; Y19-D22 PolarHBondContact OH-N 3.31Å; Y19-D22 PolarHBondContact OH-O 3.24Å; D22-L24 PolarHBondContact O-N 3.45Å; D22-L24 WeakPolarHBondContact OD1-CA 3.2Å; D22-L24 WeakPolarHBondContact OD1-CB 3.24Å; D22-L24 PolarHBondContact OD1-N 3.15Å; D22-G25 PolarHBondContact O-N 2.74Å; D22-G25 PolarHBondContact OD1-N 2.88Å
23	E	84.7	Confident	91.2	Very high	151 Å²	151	30 Å²	30	71%	0.706	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.7	-175.3	-52.3	-175.5	165.2	0	0	113.9	F49 Y55	E23-F49 WeakPolarHBondContact O-CB 3.39Å; E23-Y55 WeakPolarHBondContact CG-OH 3.24Å
24	L	86.3	Confident	91.2	Very high	80 Å²	80	29.8 Å²	29.8	42%	0.419	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-20.8	177.7	-60.8	175	0	0	0	111.7	D22 N47 I48 F49 Q50	D22-L24 PolarHBondContact O-N 3.45Å; D22-L24 WeakPolarHBondContact OD1-CA 3.2Å; D22-L24 WeakPolarHBondContact OD1-CB 3.24Å; D22-L24 PolarHBondContact OD1-N 3.15Å; L24-N47 HydrophobicContact CB-CB 4.28Å; L24-N47 HydrophobicContact CD2-CB 4.37Å; L24-N47 CarbonylContact O-C 3.44Å; L24-N47 WeakPolarHBondContact O-CA 3.49Å; L24-I48 PolarHBondContact O-N 3.13Å; L24-F49 PolarHBondContact O-N 3.38Å; L24-Q50 HydrophobicContact CD2-CB 4.5Å; L24-Q50 HydrophobicContact CD2-CG 4.41Å
25	G	86.8	Confident	91.1	Very high	5 Å²	5	34.5 Å²	34.5	5%	0.052	20%	0.201	C	C	.	.			trans	85	172.6	-177.8	0	0	0	0	0	113.3	Y19 D22	Y19-G25 VanDerWaalsContact OH-CA 3.32Å; Y19-G25 WeakPolarHBondContact OH-CA 3.35Å; D22-G25 PolarHBondContact O-N 2.74Å; D22-G25 PolarHBondContact OD1-N 2.88Å
26	P	89.1	Confident	91.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.218	C	C	.	.			trans	-72.2	143.1	178.3	29.7	-26.5	0	0	0	110.4	Y19 I48 T85 W93	Y19-P26 HydrophobicContact CE2-CG 4.05Å; P26-I48 HydrophobicContact CG-CD1 4.41Å; P26-I48 WeakPolarHBondContact O-CD1 3.45Å; P26-I48 VanDerWaalsContact O-CG1 3.28Å; P26-I48 WeakPolarHBondContact O-CG1 3.37Å; P26-T85 WeakPolarHBondContact CA-OG1 3.39Å; P26-W93 HydrophobicContact CB-CE3 4.11Å; P26-W93 HydrophobicContact CB-CZ3 4.46Å; P26-W93 HydrophobicContact CG-CD2 3.49Å; P26-W93 VanDerWaalsContact CG-CD2 3.49Å; P26-W93 HydrophobicContact CG-CE3 3.37Å; P26-W93 HydrophobicContact CG-CG 4Å; P26-W93 HydrophobicContact CG-CH2 4.25Å; P26-W93 HydrophobicContact CG-CZ2 4.31Å; P26-W93 HydrophobicContact CG-CZ3 3.79Å
27	G	90.3	Very high	91.1	Very high	5 Å²	5	39.1 Å²	39.1	5%	0.052	24%	0.243	C	C	.	.			trans	-74.5	138.5	164.8	0	0	0	0	0	109.8	T84 T85	G27-T84 WeakPolarHBondContact CA-OG1 3.43Å; G27-T84 PolarHBondContact O-N 3.47Å; G27-T84 PolarHBondContact O-OG1 3Å; G27-T84 VanDerWaalsContact O-OG1 3.1Å; G27-T85 PolarHBondContact N-OG1 3.08Å
28	V	93.5	Very high	91.4	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.03	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	136.9	-178	176.5	0	0	0	0	109.7	L45 I48 F81 W82 T84 W93	V28-L45 HydrophobicContact CB-CB 4.3Å; V28-L45 PolarHBondContact N-O 3.05Å; V28-L45 PolarHBondContact O-N 3.03Å; V28-I48 HydrophobicContact CB-CD1 4.22Å; V28-I48 HydrophobicContact CG2-CD1 3.72Å; V28-F81 HydrophobicContact CG1-CB 4.15Å; V28-F81 HydrophobicContact CG1-CD2 4.2Å; V28-W82 WeakPolarHBondContact CA-O 3.42Å; V28-T84 PolarHBondContact N-OG1 3.45Å; V28-W93 HydrophobicContact CG2-CH2 3.58Å; V28-W93 HydrophobicContact CG2-CZ3 3.4Å; V28-W93 VanDerWaalsContact CG2-CZ3 3.4Å
29	N	95.9	Very high	91.6	Very high	29 Å²	29	45.7 Å²	45.7	16%	0.155	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	142.6	164.9	-83.5	-21.8	0	0	0	109.6	T42 I43 T44 F81 W82 T84	N29-T42 HydrophobicContact CB-CG2 3.78Å; N29-I43 WeakPolarHBondContact CA-O 3.42Å; N29-T44 WeakPolarHBondContact OD1-CA 3.2Å; N29-T44 WeakPolarHBondContact OD1-CB 3.36Å; N29-T44 PolarHBondContact OD1-OG1 2.88Å; N29-F81 CarbonylContact O-C 3.31Å; N29-F81 WeakPolarHBondContact O-CA 3.01Å; N29-F81 VanDerWaalsContact O-CB 3.32Å; N29-F81 WeakPolarHBondContact O-CB 3.27Å; N29-W82 HydrophobicContact CB-CD2 4Å; N29-W82 VanDerWaalsContact CB-CE2 3.4Å; N29-W82 HydrophobicContact CB-CH2 4.13Å; N29-W82 HydrophobicContact CB-CZ2 3.49Å; N29-W82 VanDerWaalsContact CB-CZ2 3.49Å; N29-W82 PolarHBondContact N-O 2.81Å; N29-W82 PolarHBondContact O-N 2.74Å; N29-T84 HydrophobicContact CB-CG2 3.93Å; N29-T84 VanDerWaalsContact ND2-CG2 3.33Å; N29-T84 WeakPolarHBondContact ND2-CG2 3.33Å
30	M	96.8	Very high	91.9	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.015	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	143	179.2	-178.1	-176.4	61	0	0	111	V12 M32 I43 L45 I79 E80 F81 I100	V12-M30 HydrophobicContact CG1-CE 4.14Å; V12-M30 HydrophobicContact CG2-CE 3.98Å; M30-M32 HydrophobicContact CE-CE 3.37Å; M30-M32 HydrophobicContact CE-CG 4.29Å; M30-I43 HydrophobicContact CE-CD1 4.23Å; M30-I43 HydrophobicContact CE-CG2 4.48Å; M30-I43 PolarHBondContact N-O 2.91Å; M30-I43 PolarHBondContact O-N 2.95Å; M30-L45 HydrophobicContact CE-CD1 4.38Å; M30-I79 HydrophobicContact CG-CB 4.29Å; M30-I79 HydrophobicContact SD-CB 4.23Å; M30-I79 HydrophobicContact SD-CD1 4.16Å; M30-I79 HydrophobicContact SD-CG2 4.11Å; M30-E80 CarbonylContact C-O 3.45Å; M30-E80 WeakPolarHBondContact CA-O 3.34Å; M30-E80 WeakPolarHBondContact CG-O 3.5Å; M30-F81 HydrophobicContact CB-CB 4.15Å; M30-F81 HydrophobicContact CG-CB 4.26Å; M30-I100 HydrophobicContact SD-CD1 4.37Å
31	V	97.6	Very high	92.5	Very high	11 Å²	11	44.2 Å²	44.2	7%	0.067	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.2	168.8	-178.3	0	0	0	0	108.4	F33 Q39 I79 E80 W82	V31-F33 HydrophobicContact CB-CE2 3.93Å; V31-F33 HydrophobicContact CB-CZ 4.44Å; V31-F33 HydrophobicContact CG1-CD2 4.14Å; V31-F33 HydrophobicContact CG1-CE1 4.49Å; V31-F33 HydrophobicContact CG1-CE2 3.53Å; V31-F33 HydrophobicContact CG1-CZ 3.74Å; V31-Q39 HydrophobicContact CG1-CB 4.02Å; V31-I79 WeakPolarHBondContact O-CA 3.4Å; V31-E80 HydrophobicContact CB-CB 4.5Å; V31-E80 PolarHBondContact N-O 3.5Å; V31-E80 PolarHBondContact O-N 2.79Å; V31-W82 HydrophobicContact CG2-CH2 3.91Å; V31-W82 HydrophobicContact CG2-CZ3 4.05Å
32	M	97.3	Very high	93.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	139.4	175.6	-63	-176.9	-176	0	0	109.9	V12 M30 Q39 S40 I43 I62 F73 L76 I79 I100	V12-M32 HydrophobicContact CG2-CE 3.63Å; M30-M32 HydrophobicContact CE-CE 3.37Å; M30-M32 HydrophobicContact CE-CG 4.29Å; M32-Q39 CarbonylContact O-C 2.99Å; M32-Q39 VanDerWaalsContact O-CA 3.31Å; M32-Q39 WeakPolarHBondContact O-CA 3.02Å; M32-S40 PolarHBondContact N-OG 3.46Å; M32-S40 PolarHBondContact O-N 3.48Å; M32-I43 HydrophobicContact CE-CD1 3.86Å; M32-I43 HydrophobicContact CG-CD1 4.03Å; M32-I43 HydrophobicContact SD-CD1 4.13Å; M32-I62 HydrophobicContact CE-CD1 3.37Å; M32-I62 HydrophobicContact SD-CD1 4.42Å; M32-F73 HydrophobicContact CB-CE2 4.43Å; M32-F73 HydrophobicContact CB-CZ 3.85Å; M32-F73 WeakPolarHBondContact O-CE2 3.19Å; M32-L76 HydrophobicContact CB-CD1 3.72Å; M32-L76 HydrophobicContact CG-CD1 4.16Å; M32-L76 HydrophobicContact SD-CD1 4.35Å; M32-I79 HydrophobicContact CG-CG2 4.31Å; M32-I100 HydrophobicContact CE-CD1 3.6Å; M32-I100 HydrophobicContact CE-CG1 4.32Å; M32-I100 HydrophobicContact CE-CG2 4.24Å; M32-I100 HydrophobicContact CG-CD1 4.4Å; M32-I100 HydrophobicContact SD-CD1 4.22Å
33	F	96.5	Very high	93.5	Very high	27 Å²	27	43.2 Å²	43.2	12%	0.118	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.8	177.2	-67.3	-95.7	0	0	0	111.5	V31 N38 Q39 H77 H78 E80	V31-F33 HydrophobicContact CB-CE2 3.93Å; V31-F33 HydrophobicContact CB-CZ 4.44Å; V31-F33 HydrophobicContact CG1-CD2 4.14Å; V31-F33 HydrophobicContact CG1-CE1 4.49Å; V31-F33 HydrophobicContact CG1-CE2 3.53Å; V31-F33 HydrophobicContact CG1-CZ 3.74Å; F33-N38 WeakPolarHBondContact CA-O 3.26Å; F33-Q39 HydrophobicContact CD1-CB 3.7Å; F33-Q39 HydrophobicContact CE1-CB 3.56Å; F33-Q39 HydrophobicContact CG-CB 4.43Å; F33-Q39 HydrophobicContact CZ-CB 4.2Å; F33-H77 PolarHBondContact O-N 2.92Å; F33-H78 WeakPolarHBondContact CB-CE1 3.42Å; F33-H78 WeakPolarHBondContact CB-ND1 3.48Å; F33-H78 WeakPolarHBondContact CB-NE2 3.36Å; F33-H78 AromaticContact CD2-CD2 3.76Å; F33-H78 AromaticContact CD2-NE2 3.48Å; F33-H78 WeakPolarHBondContact CD2-NE2 3.4Å; F33-H78 AromaticContact CG-CE1 3.55Å; F33-H78 AromaticContact CG-NE2 3.38Å; F33-H78 WeakPolarHBondContact CG-NE2 3.42Å; F33-H78 PolarHBondContact N-O 3.43Å; F33-H78 PolarHBondContact O-N 3.29Å; F33-E80 HydrophobicContact CD2-CB 4.47Å; F33-E80 HydrophobicContact CE2-CB 3.8Å; F33-E80 WeakPolarHBondContact CE2-OE2 3.42Å
34	D	94.6	Very high	93.9	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.011	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	167.2	173.1	82.3	7.9	0	0	0	112.4	C36 G37 N38 F73 K74 R75	D34-C36 PolarHBondContact O-N 3.28Å; D34-C36 VanDerWaalsContact OD1-C 3.3Å; D34-C36 VanDerWaalsContact OD1-CA 3.28Å; D34-C36 WeakPolarHBondContact OD1-CA 3.45Å; D34-C36 WeakPolarHBondContact OD1-CB 3.28Å; D34-C36 PolarHBondContact OD1-N 3.46Å; D34-G37 PolarHBondContact O-N 3.1Å; D34-G37 PolarHBondContact OD1-N 3Å; D34-N38 PolarHBondContact N-O 2.93Å; D34-N38 PolarHBondContact OD1-N 2.78Å; D34-N38 PolarHBondContact OD1-ND2 3.31Å; D34-N38 PolarHBondContact OD2-ND2 2.72Å; D34-F73 HydrophobicContact CB-CD1 4.2Å; D34-F73 HydrophobicContact CB-CD2 4.21Å; D34-F73 HydrophobicContact CB-CE1 4.01Å; D34-F73 HydrophobicContact CB-CE2 4.02Å; D34-F73 HydrophobicContact CB-CG 4.3Å; D34-F73 HydrophobicContact CB-CZ 3.92Å; D34-K74 PolarHBondContact OD2-N 3.14Å; D34-R75 VanDerWaalsContact CA-O 3.3Å; D34-R75 WeakPolarHBondContact CA-O 3.23Å; D34-R75 WeakPolarHBondContact CB-O 3.36Å
35	H	91.3	Very high	94.1	Very high	103 Å²	103	36.1 Å²	36.1	48%	0.477	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-0.9	178.8	70.6	-76.3	0	0	0	114.8	K74 R75 H77	H35-K74 VanDerWaalsContact CE1-CB 3.43Å; H35-K74 WeakPolarHBondContact CE1-CB 3.32Å; H35-R75 PolarHBondContact N-O 2.94Å; H35-R75 WeakPolarHBondContact ND1-CB 3.43Å; H35-R75 PolarHBondContact ND1-N 3.28Å; H35-R75 PolarHBondContact ND1-O 3.48Å; H35-R75 VanDerWaalsContact ND1-O 3.1Å; H35-H77 HydrophobicContact CB-CB 4.31Å
36	C	93.5	Very high	94	Very high	63 Å²	63	39.9 Å²	39.9	43%	0.426	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	3.7	174	-69.9	0	0	0	0	112.2	D34 K74	D34-C36 PolarHBondContact O-N 3.28Å; D34-C36 VanDerWaalsContact OD1-C 3.3Å; D34-C36 VanDerWaalsContact OD1-CA 3.28Å; D34-C36 WeakPolarHBondContact OD1-CA 3.45Å; D34-C36 WeakPolarHBondContact OD1-CB 3.28Å; D34-C36 PolarHBondContact OD1-N 3.46Å; C36-K74 PolarHBondContact SG-NZ 2.76Å
37	G	91.5	Very high	93.6	Very high	57 Å²	57	43.1 Å²	43.1	59%	0.588	25%	0.251	S	S	*	.	S	Bend	trans	83.2	8.4	-179.5	0	0	0	0	0	114.7	D34	D34-G37 PolarHBondContact O-N 3.1Å; D34-G37 PolarHBondContact OD1-N 3Å
38	N	95.6	Very high	93.2	Very high	69 Å²	69	43.3 Å²	43.3	37%	0.369	25%	0.25	S	S	.	.			trans	-77.2	141.3	172.2	-53.6	-68.7	0	0	0	109.8	F33 D34 V72 F73	F33-N38 WeakPolarHBondContact CA-O 3.26Å; D34-N38 PolarHBondContact N-O 2.93Å; D34-N38 PolarHBondContact OD1-N 2.78Å; D34-N38 PolarHBondContact OD1-ND2 3.31Å; D34-N38 PolarHBondContact OD2-ND2 2.72Å; N38-V72 PolarHBondContact ND2-O 3.03Å; N38-F73 HydrophobicContact CB-CD2 4.4Å; N38-F73 VanDerWaalsContact O-CE2 3.26Å; N38-F73 WeakPolarHBondContact O-CE2 3.43Å
39	Q	96.4	Very high	92.6	Very high	125 Å²	125	43.1 Å²	43.1	58%	0.584	25%	0.249	S	C	*	.	B	Isolated β-bridge	trans	-113.9	150.9	-178.8	70.6	-175.2	9.1	0	0	112.7	V31 M32 F33	V31-Q39 HydrophobicContact CG1-CB 4.02Å; M32-Q39 CarbonylContact O-C 2.99Å; M32-Q39 VanDerWaalsContact O-CA 3.31Å; M32-Q39 WeakPolarHBondContact O-CA 3.02Å; F33-Q39 HydrophobicContact CD1-CB 3.7Å; F33-Q39 HydrophobicContact CE1-CB 3.56Å; F33-Q39 HydrophobicContact CG-CB 4.43Å; F33-Q39 HydrophobicContact CZ-CB 4.2Å
40	S	96.9	Very high	91.7	Very high	5 Å²	5	47.6 Å²	47.6	4%	0.035	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-72.3	164.7	165.2	71.7	0	0	0	0	110.8	M32	M32-S40 PolarHBondContact N-OG 3.46Å; M32-S40 PolarHBondContact O-N 3.48Å
41	P	96.7	Very high	90.5	Very high	67 Å²	67	54.9 Å²	54.9	44%	0.435	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-57	162.7	155.1	-19.1	32.3	0	0	0	110.7	I43 W67	P41-I43 PolarHBondContact O-N 2.91Å; P41-W67 VanDerWaalsContact CD-CD2 3.45Å; P41-W67 HydrophobicContact CG-CD2 4.36Å; P41-W67 HydrophobicContact CG-CG 4.01Å
42	T	97	Very high	89.4	Confident	79 Å²	79	56 Å²	56	49%	0.485	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-61.2	124	168.1	-52.8	0	0	0	0	109.6	N29 W82	N29-T42 HydrophobicContact CB-CG2 3.78Å; T42-W82 HydrophobicContact CG2-CH2 4.14Å; T42-W82 HydrophobicContact CG2-CZ2 4.09Å
43	I	95.1	Very high	87.8	Confident	22 Å²	22	62.7 Å²	62.7	11%	0.113	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.7	177.2	-62.7	151.2	0	0	0	106.9	N29 M30 M32 P41 L45 I62 W67	N29-I43 WeakPolarHBondContact CA-O 3.42Å; M30-I43 HydrophobicContact CE-CD1 4.23Å; M30-I43 HydrophobicContact CE-CG2 4.48Å; M30-I43 PolarHBondContact N-O 2.91Å; M30-I43 PolarHBondContact O-N 2.95Å; M32-I43 HydrophobicContact CE-CD1 3.86Å; M32-I43 HydrophobicContact CG-CD1 4.03Å; M32-I43 HydrophobicContact SD-CD1 4.13Å; P41-I43 PolarHBondContact O-N 2.91Å; I43-L45 HydrophobicContact CG2-CD2 3.95Å; I43-I62 HydrophobicContact CD1-CD1 3.68Å; I43-I62 HydrophobicContact CG1-CD1 4.29Å; I43-I62 HydrophobicContact CG2-CD1 4.14Å; I43-I62 HydrophobicContact CG2-CG1 4.45Å; I43-W67 HydrophobicContact CD1-CH2 4.49Å
44	T	93.9	Very high	86.8	Confident	75 Å²	75	66 Å²	66	46%	0.46	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	124.8	176.9	-55.7	0	0	0	0	109.7	N29 D46	N29-T44 WeakPolarHBondContact OD1-CA 3.2Å; N29-T44 WeakPolarHBondContact OD1-CB 3.36Å; N29-T44 PolarHBondContact OD1-OG1 2.88Å; T44-D46 HydrophobicContact CG2-CB 4.38Å; T44-D46 WeakPolarHBondContact CG2-OD1 2.85Å; T44-D46 WeakPolarHBondContact CG2-OD2 3.3Å
45	L	90.3	Very high	86.1	Confident	6 Å²	6	69.1 Å²	69.1	3%	0.031	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	83.1	174.7	-53.2	179.3	0	0	0	107.3	V12 V14 V28 M30 I43 I48 F60	V12-L45 HydrophobicContact CG1-CD1 4.46Å; V14-L45 HydrophobicContact CG2-CD1 4.3Å; V28-L45 HydrophobicContact CB-CB 4.3Å; V28-L45 PolarHBondContact N-O 3.05Å; V28-L45 PolarHBondContact O-N 3.03Å; M30-L45 HydrophobicContact CE-CD1 4.38Å; I43-L45 HydrophobicContact CG2-CD2 3.95Å; L45-I48 HydrophobicContact CB-CG1 4.38Å; L45-F60 HydrophobicContact CB-CE1 4.32Å; L45-F60 HydrophobicContact CB-CE2 4.12Å; L45-F60 HydrophobicContact CB-CZ 3.9Å; L45-F60 HydrophobicContact CD2-CB 4.05Å; L45-F60 HydrophobicContact CD2-CD1 3.98Å; L45-F60 HydrophobicContact CD2-CD2 3.84Å; L45-F60 HydrophobicContact CD2-CE1 4.31Å; L45-F60 HydrophobicContact CD2-CE2 4.17Å; L45-F60 HydrophobicContact CD2-CG 3.7Å; L45-F60 HydrophobicContact CD2-CZ 4.35Å
46	D	83.5	Confident	85.7	Confident	84 Å²	84	66.9 Å²	66.9	45%	0.449	38%	0.379	S	S	.	.			trans	-97.2	154.4	176.1	-72.1	-25.9	0	0	0	111	T44 I48	T44-D46 HydrophobicContact CG2-CB 4.38Å; T44-D46 WeakPolarHBondContact CG2-OD1 2.85Å; T44-D46 WeakPolarHBondContact CG2-OD2 3.3Å; D46-I48 VanDerWaalsContact C-N 3.28Å; D46-I48 PolarHBondContact O-N 2.75Å
47	N	81.5	Confident	85.3	Confident	69 Å²	69	68.7 Å²	68.7	37%	0.369	38%	0.381	S	S	.	.	S	Bend	trans	50.6	48.4	-179.2	-48	-48.6	0	0	0	112.2	L24 F49 Q50	L24-N47 HydrophobicContact CB-CB 4.28Å; L24-N47 HydrophobicContact CD2-CB 4.37Å; L24-N47 CarbonylContact O-C 3.44Å; L24-N47 WeakPolarHBondContact O-CA 3.49Å; N47-F49 PolarHBondContact O-N 3.21Å; N47-Q50 HydrophobicContact CB-CB 3.94Å; N47-Q50 WeakPolarHBondContact O-CB 3.39Å; N47-Q50 PolarHBondContact O-N 3.23Å
48	I	81.5	Confident	85.1	Confident	8 Å²	8	66.2 Å²	66.2	4%	0.041	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-37	-176.7	-62.5	-178	0	0	0	112.2	L24 P26 V28 L45 D46 A58 F60 W93	L24-I48 PolarHBondContact O-N 3.13Å; P26-I48 HydrophobicContact CG-CD1 4.41Å; P26-I48 WeakPolarHBondContact O-CD1 3.45Å; P26-I48 VanDerWaalsContact O-CG1 3.28Å; P26-I48 WeakPolarHBondContact O-CG1 3.37Å; V28-I48 HydrophobicContact CB-CD1 4.22Å; V28-I48 HydrophobicContact CG2-CD1 3.72Å; L45-I48 HydrophobicContact CB-CG1 4.38Å; D46-I48 VanDerWaalsContact C-N 3.28Å; D46-I48 PolarHBondContact O-N 2.75Å; I48-A58 HydrophobicContact CB-CB 4.39Å; I48-A58 HydrophobicContact CG2-CB 3.25Å; I48-A58 WeakPolarHBondContact O-CB 3.39Å; I48-F60 HydrophobicContact CB-CE2 4.43Å; I48-F60 HydrophobicContact CB-CZ 4.18Å; I48-F60 HydrophobicContact CG1-CE2 4.16Å; I48-F60 HydrophobicContact CG1-CZ 3.83Å; I48-F60 HydrophobicContact CG2-CE2 4.24Å; I48-F60 HydrophobicContact CG2-CZ 4.47Å; I48-W93 HydrophobicContact CD1-CH2 4.13Å; I48-W93 HydrophobicContact CD1-CZ2 4.34Å
49	F	82.2	Confident	84.8	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.009	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	9.2	-176.1	-59.6	-41.3	0	0	0	115.4	T16 Y19 E23 L24 N47 N51 D52 Y55	T16-F49 HydrophobicContact CG2-CZ 4.08Å; T16-F49 WeakPolarHBondContact OG1-CZ 3.48Å; Y19-F49 AromaticContact CD1-CD2 3.94Å; Y19-F49 HydrophobicContact CD1-CD2 3.94Å; Y19-F49 AromaticContact CD1-CE2 3.53Å; Y19-F49 HydrophobicContact CD1-CE2 3.53Å; Y19-F49 AromaticContact CD2-CE2 3.98Å; Y19-F49 HydrophobicContact CD2-CE2 3.98Å; Y19-F49 AromaticContact CE1-CD2 3.94Å; Y19-F49 HydrophobicContact CE1-CD2 3.94Å; Y19-F49 AromaticContact CE1-CE2 3.8Å; Y19-F49 HydrophobicContact CE1-CE2 3.8Å; Y19-F49 HydrophobicContact CE2-CE2 4.23Å; Y19-F49 HydrophobicContact CG-CD2 4.47Å; Y19-F49 AromaticContact CG-CE2 3.62Å; Y19-F49 HydrophobicContact CG-CE2 3.62Å; Y19-F49 HydrophobicContact CG-CZ 4.33Å; E23-F49 WeakPolarHBondContact O-CB 3.39Å; L24-F49 PolarHBondContact O-N 3.38Å; N47-F49 PolarHBondContact O-N 3.21Å; F49-N51 PolarHBondContact O-N 2.97Å; F49-D52 HydrophobicContact CD1-CB 4.43Å; F49-D52 PolarHBondContact O-N 3.26Å; F49-Y55 HydrophobicContact CB-CD1 3.51Å; F49-Y55 HydrophobicContact CB-CE1 3.94Å; F49-Y55 HydrophobicContact CD1-CD1 4.16Å; F49-Y55 AromaticContact CD2-CD1 3.63Å; F49-Y55 HydrophobicContact CD2-CD1 3.63Å; F49-Y55 HydrophobicContact CD2-CE1 4.42Å; F49-Y55 HydrophobicContact CD2-CG 4.09Å; F49-Y55 WeakPolarHBondContact CE1-O 3.42Å; F49-Y55 HydrophobicContact CE2-CD1 4.44Å; F49-Y55 HydrophobicContact CE2-CG 4.49Å; F49-Y55 AromaticContact CG-CD1 3.49Å; F49-Y55 HydrophobicContact CG-CD1 3.49Å; F49-Y55 VanDerWaalsContact CG-CD1 3.49Å; F49-Y55 HydrophobicContact CG-CE1 4.34Å; F49-Y55 HydrophobicContact CG-CG 4.2Å
50	Q	75.9	Confident	84.6	Confident	122 Å²	122	65.8 Å²	65.8	57%	0.57	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-30.1	-175.3	-170.7	173.6	17.5	0	0	114.7	L24 N47	L24-Q50 HydrophobicContact CD2-CB 4.5Å; L24-Q50 HydrophobicContact CD2-CG 4.41Å; N47-Q50 HydrophobicContact CB-CB 3.94Å; N47-Q50 WeakPolarHBondContact O-CB 3.39Å; N47-Q50 PolarHBondContact O-N 3.23Å
51	N	72.9	Confident	84.3	Confident	156 Å²	156	69.8 Å²	69.8	83%	0.834	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	12.2	-179	-58.5	-59.1	0	0	0	113.1	F49	F49-N51 PolarHBondContact O-N 2.97Å
52	D	72.4	Confident	84.1	Confident	36 Å²	36	67.5 Å²	67.5	19%	0.193	36%	0.356	C	S	.	.			trans	-116.3	133.9	-175	-153.8	-2.1	0	0	0	110.5	F49 T56 Q57	F49-D52 HydrophobicContact CD1-CB 4.43Å; F49-D52 PolarHBondContact O-N 3.26Å; D52-T56 PolarHBondContact OD2-N 3.27Å; D52-Q57 WeakPolarHBondContact OD2-CA 3.11Å; D52-Q57 PolarHBondContact OD2-N 2.74Å
53	V	65.7	Low	83.8	Confident	140 Å²	140	66.4 Å²	66.4	85%	0.848	35%	0.348	S	S	*	.	S	Bend	trans	-94.9	-25.7	-171.3	-167.6	0	0	0	0	111.3
54	D	74.5	Confident	83.6	Confident	97 Å²	97	68.9 Å²	68.9	52%	0.519	36%	0.361	S	S	.	.	S	Bend	trans	-115	3.1	-176.2	64.4	13.7	0	0	0	113.4	T56	D54-T56 HydrophobicContact CB-CG2 4.11Å; D54-T56 VanDerWaalsContact CG-CG2 3.49Å; D54-T56 VanDerWaalsContact CG-OG1 3.29Å; D54-T56 PolarHBondContact O-N 3.29Å; D54-T56 WeakPolarHBondContact OD1-CB 3.49Å; D54-T56 WeakPolarHBondContact OD1-CG2 3.33Å; D54-T56 PolarHBondContact OD1-N 2.94Å; D54-T56 PolarHBondContact OD1-OG1 3.38Å; D54-T56 PolarHBondContact OD2-OG1 2.91Å
55	Y	80.5	Confident	83.5	Confident	67 Å²	67	70.4 Å²	70.4	26%	0.263	36%	0.363	S	S	.	.	S	Bend	trans	60.8	20.1	178.9	-45.7	-51.5	0	0	0	114.2	T16 Y19 E23 F49	T16-Y55 WeakPolarHBondContact CB-O 3.5Å; T16-Y55 WeakPolarHBondContact CG2-O 3.26Å; Y19-Y55 HydrophobicContact CD1-CD2 4.42Å; Y19-Y55 HydrophobicContact CD1-CG 4.34Å; E23-Y55 WeakPolarHBondContact CG-OH 3.24Å; F49-Y55 HydrophobicContact CB-CD1 3.51Å; F49-Y55 HydrophobicContact CB-CE1 3.94Å; F49-Y55 HydrophobicContact CD1-CD1 4.16Å; F49-Y55 AromaticContact CD2-CD1 3.63Å; F49-Y55 HydrophobicContact CD2-CD1 3.63Å; F49-Y55 HydrophobicContact CD2-CE1 4.42Å; F49-Y55 HydrophobicContact CD2-CG 4.09Å; F49-Y55 WeakPolarHBondContact CE1-O 3.42Å; F49-Y55 HydrophobicContact CE2-CD1 4.44Å; F49-Y55 HydrophobicContact CE2-CG 4.49Å; F49-Y55 AromaticContact CG-CD1 3.49Å; F49-Y55 HydrophobicContact CG-CD1 3.49Å; F49-Y55 VanDerWaalsContact CG-CD1 3.49Å; F49-Y55 HydrophobicContact CG-CE1 4.34Å; F49-Y55 HydrophobicContact CG-CG 4.2Å
56	T	81.9	Confident	83.7	Confident	55 Å²	55	73.5 Å²	73.5	34%	0.337	39%	0.389	S	S	.	.	S	Bend	trans	-90.8	-35.9	-172.8	63.7	0	0	0	0	113.6	V15 T16 D52 D54	V15-T56 WeakPolarHBondContact CA-O 3.37Å; T16-T56 PolarHBondContact N-O 3.41Å; D52-T56 PolarHBondContact OD2-N 3.27Å; D54-T56 HydrophobicContact CB-CG2 4.11Å; D54-T56 VanDerWaalsContact CG-CG2 3.49Å; D54-T56 VanDerWaalsContact CG-OG1 3.29Å; D54-T56 PolarHBondContact O-N 3.29Å; D54-T56 WeakPolarHBondContact OD1-CB 3.49Å; D54-T56 WeakPolarHBondContact OD1-CG2 3.33Å; D54-T56 PolarHBondContact OD1-N 2.94Å; D54-T56 PolarHBondContact OD1-OG1 3.38Å; D54-T56 PolarHBondContact OD2-OG1 2.91Å
57	Q	86.1	Confident	84.2	Confident	102 Å²	102	71.2 Å²	71.2	48%	0.477	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	103.3	-171.8	-67.9	-169.3	15.5	0	0	113.6	V14 V15 D52	V14-Q57 WeakPolarHBondContact O-CA 3.39Å; V15-Q57 HydrophobicContact CG1-CG 4.44Å; V15-Q57 HydrophobicContact CG2-CG 4.41Å; D52-Q57 WeakPolarHBondContact OD2-CA 3.11Å; D52-Q57 PolarHBondContact OD2-N 2.74Å
58	A	87.7	Confident	84.7	Confident	5 Å²	5	67.9 Å²	67.9	4%	0.041	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	148.3	172.4	0	0	0	0	0	112.4	C13 V14 I48 F60	C13-A58 CarbonylContact C-O 3.59Å; C13-A58 VanDerWaalsContact CA-O 3.25Å; C13-A58 WeakPolarHBondContact CA-O 3.32Å; V14-A58 HydrophobicContact CB-CB 4.36Å; V14-A58 PolarHBondContact N-O 3.16Å; V14-A58 PolarHBondContact O-N 3.34Å; I48-A58 HydrophobicContact CB-CB 4.39Å; I48-A58 HydrophobicContact CG2-CB 3.25Å; I48-A58 WeakPolarHBondContact O-CB 3.39Å; A58-F60 HydrophobicContact CB-CE2 4.08Å
59	K	89.3	Confident	85.1	Confident	142 Å²	142	74.8 Å²	74.8	62%	0.617	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	134.5	177.9	-68.9	175	-172.8	157.6	0	111.6	V12 C13	V12-K59 CarbonylContact O-C 3.6Å; V12-K59 WeakPolarHBondContact O-CA 3.28Å; C13-K59 HydrophobicContact CB-CG 4.28Å
60	F	90.7	Very high	85.5	Confident	43 Å²	43	77.8 Å²	77.8	19%	0.189	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.3	177.7	-62.2	-91.3	0	0	0	111	E11 V12 V14 L45 I48 A58	E11-F60 CarbonylContact C-O 3.58Å; E11-F60 VanDerWaalsContact CA-O 3.31Å; E11-F60 WeakPolarHBondContact CA-O 2.88Å; V12-F60 HydrophobicContact CB-CB 4.32Å; V12-F60 PolarHBondContact N-O 2.82Å; V12-F60 PolarHBondContact O-N 2.97Å; V14-F60 HydrophobicContact CG2-CE2 4.46Å; L45-F60 HydrophobicContact CB-CE1 4.32Å; L45-F60 HydrophobicContact CB-CE2 4.12Å; L45-F60 HydrophobicContact CB-CZ 3.9Å; L45-F60 HydrophobicContact CD2-CB 4.05Å; L45-F60 HydrophobicContact CD2-CD1 3.98Å; L45-F60 HydrophobicContact CD2-CD2 3.84Å; L45-F60 HydrophobicContact CD2-CE1 4.31Å; L45-F60 HydrophobicContact CD2-CE2 4.17Å; L45-F60 HydrophobicContact CD2-CG 3.7Å; L45-F60 HydrophobicContact CD2-CZ 4.35Å; I48-F60 HydrophobicContact CB-CE2 4.43Å; I48-F60 HydrophobicContact CB-CZ 4.18Å; I48-F60 HydrophobicContact CG1-CE2 4.16Å; I48-F60 HydrophobicContact CG1-CZ 3.83Å; I48-F60 HydrophobicContact CG2-CE2 4.24Å; I48-F60 HydrophobicContact CG2-CZ 4.47Å; A58-F60 HydrophobicContact CB-CE2 4.08Å
61	T	90.8	Very high	86.1	Confident	89 Å²	89	81.7 Å²	81.7	55%	0.546	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131.4	176.4	53	0	0	0	0	110.4	I8 E11	I8-T61 HydrophobicContact CD1-CG2 3.99Å; I8-T61 HydrophobicContact CG2-CG2 4.48Å; E11-T61 HydrophobicContact CG-CG2 4.33Å
62	I	92.1	Very high	87.1	Confident	18 Å²	18	77.9 Å²	77.9	9%	0.092	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	117.4	173.2	-59.7	168.1	0	0	0	107.8	A9 F10 V12 M32 I43 W67	A9-I62 WeakPolarHBondContact CA-O 3.28Å; A9-I62 PolarHBondContact N-O 3.35Å; F10-I62 HydrophobicContact CB-CB 4.2Å; F10-I62 HydrophobicContact CB-CD1 4.28Å; F10-I62 HydrophobicContact CD2-CG2 4.4Å; F10-I62 PolarHBondContact N-O 2.86Å; F10-I62 VanDerWaalsContact N-O 3.07Å; F10-I62 PolarHBondContact O-N 2.82Å; V12-I62 HydrophobicContact CG2-CD1 3.7Å; V12-I62 HydrophobicContact CG2-CG1 4.42Å; M32-I62 HydrophobicContact CE-CD1 3.37Å; M32-I62 HydrophobicContact SD-CD1 4.42Å; I43-I62 HydrophobicContact CD1-CD1 3.68Å; I43-I62 HydrophobicContact CG1-CD1 4.29Å; I43-I62 HydrophobicContact CG2-CD1 4.14Å; I43-I62 HydrophobicContact CG2-CG1 4.45Å; I62-W67 HydrophobicContact CG2-CH2 4.33Å; I62-W67 HydrophobicContact CG2-CZ2 3.8Å
63	D	92.2	Very high	88.1	Confident	57 Å²	57	76.2 Å²	76.2	31%	0.305	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	154.9	179.4	-75.9	-22.9	0	0	0	112.9	T6 Q65	T6-D63 WeakPolarHBondContact CB-OD2 3.44Å; T6-D63 PolarHBondContact OG1-OD2 3.11Å; D63-Q65 PolarHBondContact O-N 3.1Å
64	L	90.9	Very high	89.4	Confident	74 Å²	74	73.9 Å²	73.9	39%	0.387	36%	0.364	S	S	.	.			trans	-65.7	115.9	173.7	-168.7	81	0	0	0	110	K7 A9 R104	K7-L64 HydrophobicContact CB-CB 4.17Å; K7-L64 HydrophobicContact CB-CD2 4.27Å; K7-L64 WeakPolarHBondContact O-CA 3.43Å; K7-L64 WeakPolarHBondContact O-CB 3.38Å; K7-L64 PolarHBondContact O-N 3.15Å; A9-L64 HydrophobicContact CB-CB 4.23Å; A9-L64 HydrophobicContact CB-CD1 3.96Å; L64-R104 HydrophobicContact CD1-CG 4.15Å
65	Q	92.1	Very high	90.3	Very high	106 Å²	106	75.7 Å²	75.7	50%	0.495	36%	0.364	S	S	.	.			trans	-124	175.6	179.1	-67.2	-167	-3.3	0	0	110	D63 W67 S68 R69	D63-Q65 PolarHBondContact O-N 3.1Å; Q65-W67 VanDerWaalsContact C-N 3.34Å; Q65-W67 PolarHBondContact O-N 3.4Å; Q65-S68 PolarHBondContact N-OG 3.14Å; Q65-S68 PolarHBondContact O-N 3Å; Q65-S68 PolarHBondContact O-OG 3.34Å; Q65-R69 WeakPolarHBondContact O-CG 3.46Å; Q65-R69 PolarHBondContact O-N 2.79Å
66	A	92.8	Very high	90.9	Very high	71 Å²	71	72.7 Å²	72.7	59%	0.587	35%	0.352	S	S	*	.	S	Bend	trans	-59.3	-44.3	-179.1	0	0	0	0	0	112.3	S68 R69	A66-S68 VanDerWaalsContact C-N 3.34Å; A66-S68 PolarHBondContact O-N 2.89Å; A66-R69 PolarHBondContact O-N 3.17Å
67	W	93.9	Very high	91.4	Very high	36 Å²	36	73.6 Å²	73.6	14%	0.136	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-38.4	179	71.9	-98	0	0	0	111.8	F10 P41 I43 I62 Q65 R69 F73	F10-W67 HydrophobicContact CD2-CH2 4.22Å; F10-W67 AromaticContact CE2-CH2 3.85Å; F10-W67 HydrophobicContact CE2-CH2 3.85Å; F10-W67 HydrophobicContact CE2-CZ3 4.02Å; P41-W67 VanDerWaalsContact CD-CD2 3.45Å; P41-W67 HydrophobicContact CG-CD2 4.36Å; P41-W67 HydrophobicContact CG-CG 4.01Å; I43-W67 HydrophobicContact CD1-CH2 4.49Å; I62-W67 HydrophobicContact CG2-CH2 4.33Å; I62-W67 HydrophobicContact CG2-CZ2 3.8Å; Q65-W67 VanDerWaalsContact C-N 3.34Å; Q65-W67 PolarHBondContact O-N 3.4Å; W67-R69 VanDerWaalsContact C-N 3.26Å; W67-R69 PolarHBondContact O-N 3.4Å; W67-F73 HydrophobicContact CE3-CB 4.44Å; W67-F73 HydrophobicContact CE3-CD2 4.32Å; W67-F73 HydrophobicContact CE3-CG 4.38Å; W67-F73 HydrophobicContact CZ3-CD2 4.31Å; W67-F73 HydrophobicContact CZ3-CG 4.3Å; W67-F73 WeakPolarHBondContact O-CB 3.44Å
68	S	92.9	Very high	91.8	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	1.4	-174.1	63.9	0	0	0	0	113.5	Q65 A66 R104	Q65-S68 PolarHBondContact N-OG 3.14Å; Q65-S68 PolarHBondContact O-N 3Å; Q65-S68 PolarHBondContact O-OG 3.34Å; A66-S68 VanDerWaalsContact C-N 3.34Å; A66-S68 PolarHBondContact O-N 2.89Å; S68-R104 WeakPolarHBondContact O-CD 3.39Å; S68-R104 PolarHBondContact O-NH1 3.19Å
69	R	90.4	Very high	92.2	Very high	152 Å²	152	69.7 Å²	69.7	57%	0.574	33%	0.334	S	S	*	.	S	Bend	trans	-66	140.5	176.2	-67.3	177.1	-179.3	177.3	-0.2	110.7	Q65 A66 W67 K71 V72 F73	Q65-R69 WeakPolarHBondContact O-CG 3.46Å; Q65-R69 PolarHBondContact O-N 2.79Å; A66-R69 PolarHBondContact O-N 3.17Å; W67-R69 VanDerWaalsContact C-N 3.26Å; W67-R69 PolarHBondContact O-N 3.4Å; R69-K71 PolarHBondContact O-N 2.95Å; R69-V72 PolarHBondContact O-N 2.77Å; R69-F73 PolarHBondContact O-N 2.88Å
70	L	89.2	Confident	92.5	Very high	65 Å²	65	64.9 Å²	64.9	34%	0.34	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-25.4	179.9	-86.5	163.7	0	0	0	115.3	V72 F73 R104 F105	L70-V72 VanDerWaalsContact C-N 3.34Å; L70-F73 WeakPolarHBondContact CA-O 3.16Å; L70-R104 HydrophobicContact CD1-CB 4.15Å; L70-R104 WeakPolarHBondContact CD1-O 3.31Å; L70-R104 HydrophobicContact CG-CB 4.07Å; L70-F105 HydrophobicContact CD1-CD1 4.05Å; L70-F105 HydrophobicContact CD1-CE1 4.28Å; L70-F105 HydrophobicContact CD1-CG 4.36Å; L70-F105 HydrophobicContact CD2-CD1 4.05Å; L70-F105 HydrophobicContact CD2-CD2 4.32Å; L70-F105 HydrophobicContact CD2-CE1 3.5Å; L70-F105 VanDerWaalsContact CD2-CE1 3.5Å; L70-F105 HydrophobicContact CD2-CE2 3.81Å; L70-F105 HydrophobicContact CD2-CG 4.44Å; L70-F105 HydrophobicContact CD2-CZ 3.37Å
71	K	89.9	Confident	92.7	Very high	204 Å²	204	63 Å²	63	89%	0.887	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-22.9	176.3	-64.4	-174	179.6	-175.5	0	113.4	R69	R69-K71 PolarHBondContact O-N 2.95Å
72	V	93.4	Very high	92.9	Very high	76 Å²	76	62 Å²	62	46%	0.461	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-57	-175.1	-179.7	0	0	0	0	109.5	N38 R69 L70	N38-V72 PolarHBondContact ND2-O 3.03Å; R69-V72 PolarHBondContact O-N 2.77Å; L70-V72 VanDerWaalsContact C-N 3.34Å
73	F	94.1	Very high	93	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.009	29%	0.292	C	S	.	.	S	Bend	trans	-107.7	113.9	177	-168	-86.4	0	0	0	108.7	F10 M32 D34 N38 W67 R69 L70 L76 R104	F10-F73 HydrophobicContact CZ-CD1 4.11Å; F10-F73 HydrophobicContact CZ-CE1 4.18Å; M32-F73 HydrophobicContact CB-CE2 4.43Å; M32-F73 HydrophobicContact CB-CZ 3.85Å; M32-F73 WeakPolarHBondContact O-CE2 3.19Å; D34-F73 HydrophobicContact CB-CD1 4.2Å; D34-F73 HydrophobicContact CB-CD2 4.21Å; D34-F73 HydrophobicContact CB-CE1 4.01Å; D34-F73 HydrophobicContact CB-CE2 4.02Å; D34-F73 HydrophobicContact CB-CG 4.3Å; D34-F73 HydrophobicContact CB-CZ 3.92Å; N38-F73 HydrophobicContact CB-CD2 4.4Å; N38-F73 VanDerWaalsContact O-CE2 3.26Å; N38-F73 WeakPolarHBondContact O-CE2 3.43Å; W67-F73 HydrophobicContact CE3-CB 4.44Å; W67-F73 HydrophobicContact CE3-CD2 4.32Å; W67-F73 HydrophobicContact CE3-CG 4.38Å; W67-F73 HydrophobicContact CZ3-CD2 4.31Å; W67-F73 HydrophobicContact CZ3-CG 4.3Å; W67-F73 WeakPolarHBondContact O-CB 3.44Å; R69-F73 PolarHBondContact O-N 2.88Å; L70-F73 WeakPolarHBondContact CA-O 3.16Å; F73-L76 HydrophobicContact CE1-CB 4.49Å; F73-L76 HydrophobicContact CE1-CD1 4.15Å; F73-L76 HydrophobicContact CZ-CD1 4.01Å; F73-R104 PolarHBondContact O-NH1 3.48Å
74	K	92.2	Very high	92.9	Very high	90 Å²	90	61.5 Å²	61.5	39%	0.391	29%	0.292	S	S	.	.			trans	-86.7	-137.4	-174.4	-57	-176.3	-172.3	166.3	0	110.8	D34 H35 C36 L76 R104	D34-K74 PolarHBondContact OD2-N 3.14Å; H35-K74 VanDerWaalsContact CE1-CB 3.43Å; H35-K74 WeakPolarHBondContact CE1-CB 3.32Å; C36-K74 PolarHBondContact SG-NZ 2.76Å; K74-L76 PolarHBondContact O-N 2.7Å; K74-R104 PolarHBondContact O-NH2 3.27Å
75	R	92.3	Very high	92.7	Very high	136 Å²	136	59.3 Å²	59.3	51%	0.513	28%	0.282	S	S	.	.	S	Bend	trans	-72.2	123.3	179.4	-177.7	-174.1	176.8	150.9	2.1	109.4	D34 H35 F114	D34-R75 VanDerWaalsContact CA-O 3.3Å; D34-R75 WeakPolarHBondContact CA-O 3.23Å; D34-R75 WeakPolarHBondContact CB-O 3.36Å; H35-R75 PolarHBondContact N-O 2.94Å; H35-R75 WeakPolarHBondContact ND1-CB 3.43Å; H35-R75 PolarHBondContact ND1-N 3.28Å; H35-R75 PolarHBondContact ND1-O 3.48Å; H35-R75 VanDerWaalsContact ND1-O 3.1Å; R75-F114 HydrophobicContact CG-CE1 3.79Å; R75-F114 HydrophobicContact CG-CZ 3.82Å
76	L	93.9	Very high	92.3	Very high	3 Å²	3	63.4 Å²	63.4	2%	0.016	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	138.5	172.4	-175.9	66.1	0	0	0	110.5	M32 F73 K74 I100 F114 F116	M32-L76 HydrophobicContact CB-CD1 3.72Å; M32-L76 HydrophobicContact CG-CD1 4.16Å; M32-L76 HydrophobicContact SD-CD1 4.35Å; F73-L76 HydrophobicContact CE1-CB 4.49Å; F73-L76 HydrophobicContact CE1-CD1 4.15Å; F73-L76 HydrophobicContact CZ-CD1 4.01Å; K74-L76 PolarHBondContact O-N 2.7Å; L76-I100 HydrophobicContact CD2-CB 3.79Å; L76-I100 HydrophobicContact CD2-CD1 3.77Å; L76-I100 HydrophobicContact CD2-CG1 4.35Å; L76-I100 HydrophobicContact CD2-CG2 3.74Å; L76-F114 HydrophobicContact CB-CD1 4Å; L76-F114 HydrophobicContact CB-CD2 4.28Å; L76-F114 HydrophobicContact CB-CE1 3.9Å; L76-F114 HydrophobicContact CB-CE2 4.19Å; L76-F114 HydrophobicContact CB-CG 4.21Å; L76-F114 HydrophobicContact CB-CZ 3.99Å; L76-F114 HydrophobicContact CD2-CB 3.94Å; L76-F114 HydrophobicContact CD2-CD1 4.34Å; L76-F114 HydrophobicContact CD2-CD2 4.03Å; L76-F114 HydrophobicContact CD2-CG 3.85Å; L76-F114 HydrophobicContact CG-CD1 4.39Å; L76-F114 HydrophobicContact CG-CG 4.38Å; L76-F114 WeakPolarHBondContact O-CE1 3.2Å; L76-F116 HydrophobicContact CD2-CE2 3.8Å; L76-F116 HydrophobicContact CD2-CZ 3.59Å; L76-F116 HydrophobicContact CG-CZ 3.9Å
77	H	92	Very high	91.7	Very high	74 Å²	74	62 Å²	62	34%	0.343	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	-52.7	-175.6	-179.1	-98	0	0	0	111.9	F33 H35 H131 D132	F33-H77 PolarHBondContact O-N 2.92Å; H35-H77 HydrophobicContact CB-CB 4.31Å; H77-H131 AromaticContact CE1-CD2 3.5Å; H77-H131 AromaticContact CE1-NE2 3.82Å; H77-H131 AromaticContact ND1-CD2 3.81Å; H77-D132 PolarHBondContact O-N 3.06Å; H77-D132 VanDerWaalsContact O-N 3.1Å
78	H	94.6	Very high	91.2	Very high	25 Å²	25	71.2 Å²	71.2	12%	0.116	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	162.8	-178.5	63.6	-73	0	0	0	110.1	F33 V130	F33-H78 WeakPolarHBondContact CB-CE1 3.42Å; F33-H78 WeakPolarHBondContact CB-ND1 3.48Å; F33-H78 WeakPolarHBondContact CB-NE2 3.36Å; F33-H78 AromaticContact CD2-CD2 3.76Å; F33-H78 AromaticContact CD2-NE2 3.48Å; F33-H78 WeakPolarHBondContact CD2-NE2 3.4Å; F33-H78 AromaticContact CG-CE1 3.55Å; F33-H78 AromaticContact CG-NE2 3.38Å; F33-H78 WeakPolarHBondContact CG-NE2 3.42Å; F33-H78 PolarHBondContact N-O 3.43Å; F33-H78 PolarHBondContact O-N 3.29Å; H78-V130 CarbonylContact C-O 3.57Å; H78-V130 VanDerWaalsContact CA-O 3.28Å; H78-V130 WeakPolarHBondContact CA-O 3.42Å; H78-V130 WeakPolarHBondContact CB-O 3.43Å
79	I	96.2	Very high	90.6	Very high	0 Å²	0	76 Å²	76	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	150.7	170.4	61.8	175.5	0	0	0	109.4	M30 V31 M32 F81 V98 I100 F116 V129 V130	M30-I79 HydrophobicContact CG-CB 4.29Å; M30-I79 HydrophobicContact SD-CB 4.23Å; M30-I79 HydrophobicContact SD-CD1 4.16Å; M30-I79 HydrophobicContact SD-CG2 4.11Å; V31-I79 WeakPolarHBondContact O-CA 3.4Å; M32-I79 HydrophobicContact CG-CG2 4.31Å; I79-F81 HydrophobicContact CD1-CD1 4.41Å; I79-V98 HydrophobicContact CD1-CB 3.92Å; I79-V98 HydrophobicContact CD1-CG1 4.07Å; I79-V98 HydrophobicContact CD1-CG2 4.17Å; I79-I100 HydrophobicContact CG2-CD1 3.55Å; I79-F116 HydrophobicContact CD1-CB 3.81Å; I79-F116 HydrophobicContact CD1-CD1 4.18Å; I79-F116 HydrophobicContact CD1-CD2 4.02Å; I79-F116 HydrophobicContact CD1-CG 3.71Å; I79-F116 HydrophobicContact CG1-CB 4.28Å; I79-F116 HydrophobicContact CG1-CD1 3.83Å; I79-F116 HydrophobicContact CG1-CD2 4.45Å; I79-F116 HydrophobicContact CG1-CE1 4.33Å; I79-F116 HydrophobicContact CG1-CG 3.91Å; I79-F116 HydrophobicContact CG2-CD1 4.39Å; I79-F116 HydrophobicContact CG2-CD2 4.36Å; I79-F116 HydrophobicContact CG2-CE1 4.11Å; I79-F116 HydrophobicContact CG2-CE2 4.09Å; I79-F116 HydrophobicContact CG2-CZ 3.96Å; I79-V129 WeakPolarHBondContact O-CA 3.46Å; I79-V130 HydrophobicContact CG1-CB 4.19Å; I79-V130 PolarHBondContact N-O 2.9Å; I79-V130 PolarHBondContact O-N 3.43Å
80	E	95.8	Very high	90.1	Very high	42 Å²	42	72 Å²	72	20%	0.196	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	134.5	169.6	-176.4	171.5	-150.5	0	0	108.1	M30 V31 F33 W82 Q127 Y128 V129	M30-E80 CarbonylContact C-O 3.45Å; M30-E80 WeakPolarHBondContact CA-O 3.34Å; M30-E80 WeakPolarHBondContact CG-O 3.5Å; V31-E80 HydrophobicContact CB-CB 4.5Å; V31-E80 PolarHBondContact N-O 3.5Å; V31-E80 PolarHBondContact O-N 2.79Å; F33-E80 HydrophobicContact CD2-CB 4.47Å; F33-E80 HydrophobicContact CE2-CB 3.8Å; F33-E80 WeakPolarHBondContact CE2-OE2 3.42Å; E80-W82 HydrophobicContact CG-CZ3 4.42Å; E80-Q127 HydrophobicContact CG-CG 3.89Å; E80-Q127 VanDerWaalsContact OE1-CD 3.25Å; E80-Q127 PolarHBondContact OE1-NE2 2.78Å; E80-Y128 CarbonylContact C-O 3.6Å; E80-Y128 WeakPolarHBondContact CA-O 3.3Å; E80-V129 HydrophobicContact CG-CG2 4.28Å
81	F	95.8	Very high	89.9	Confident	4 Å²	4	69.7 Å²	69.7	2%	0.018	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	156.9	179.3	74.2	-89.5	0	0	0	113.2	V28 N29 M30 I79 L95 V118 I122 Y128 V130	V28-F81 HydrophobicContact CG1-CB 4.15Å; V28-F81 HydrophobicContact CG1-CD2 4.2Å; N29-F81 CarbonylContact O-C 3.31Å; N29-F81 WeakPolarHBondContact O-CA 3.01Å; N29-F81 VanDerWaalsContact O-CB 3.32Å; N29-F81 WeakPolarHBondContact O-CB 3.27Å; M30-F81 HydrophobicContact CB-CB 4.15Å; M30-F81 HydrophobicContact CG-CB 4.26Å; I79-F81 HydrophobicContact CD1-CD1 4.41Å; F81-L95 HydrophobicContact CE1-CD2 4.28Å; F81-L95 HydrophobicContact CE2-CD2 3.78Å; F81-L95 HydrophobicContact CZ-CD2 3.62Å; F81-V118 HydrophobicContact CE1-CG1 4.41Å; F81-V118 HydrophobicContact CE1-CG2 4.31Å; F81-V118 HydrophobicContact CZ-CG1 3.92Å; F81-V118 HydrophobicContact CZ-CG2 4.48Å; F81-I122 HydrophobicContact CE2-CD1 3.79Å; F81-I122 HydrophobicContact CE2-CG1 4.36Å; F81-I122 HydrophobicContact CE2-CG2 4.43Å; F81-I122 HydrophobicContact CZ-CD1 3.87Å; F81-Y128 HydrophobicContact CD2-CD2 4.12Å; F81-Y128 VanDerWaalsContact CE1-CB 3.4Å; F81-Y128 HydrophobicContact CE1-CG 4.13Å; F81-Y128 AromaticContact CE2-CD2 3.56Å; F81-Y128 HydrophobicContact CE2-CD2 3.56Å; F81-Y128 HydrophobicContact CE2-CE2 4.3Å; F81-Y128 AromaticContact CE2-CG 3.88Å; F81-Y128 HydrophobicContact CE2-CG 3.88Å; F81-Y128 VanDerWaalsContact CZ-CB 3.43Å; F81-Y128 HydrophobicContact CZ-CD1 4.36Å; F81-Y128 AromaticContact CZ-CD2 3.82Å; F81-Y128 HydrophobicContact CZ-CD2 3.82Å; F81-Y128 AromaticContact CZ-CG 3.61Å; F81-Y128 HydrophobicContact CZ-CG 3.61Å; F81-Y128 PolarHBondContact N-O 3.15Å; F81-Y128 PolarHBondContact O-N 3.19Å; F81-V130 HydrophobicContact CE1-CG2 3.9Å
82	W	94.7	Very high	89.8	Confident	67 Å²	67	61.9 Å²	61.9	25%	0.254	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	149.2	176	59.7	98.8	0	0	0	110.6	V28 N29 V31 T42 E80 Q127	V28-W82 WeakPolarHBondContact CA-O 3.42Å; N29-W82 HydrophobicContact CB-CD2 4Å; N29-W82 VanDerWaalsContact CB-CE2 3.4Å; N29-W82 HydrophobicContact CB-CH2 4.13Å; N29-W82 HydrophobicContact CB-CZ2 3.49Å; N29-W82 VanDerWaalsContact CB-CZ2 3.49Å; N29-W82 PolarHBondContact N-O 2.81Å; N29-W82 PolarHBondContact O-N 2.74Å; V31-W82 HydrophobicContact CG2-CH2 3.91Å; V31-W82 HydrophobicContact CG2-CZ3 4.05Å; T42-W82 HydrophobicContact CG2-CH2 4.14Å; T42-W82 HydrophobicContact CG2-CZ2 4.09Å; E80-W82 HydrophobicContact CG-CZ3 4.42Å; W82-Q127 HydrophobicContact CE3-CG 4.29Å
83	C	92.6	Very high	89.8	Confident	15 Å²	15	58.5 Å²	58.5	10%	0.101	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	135.8	177.2	-170.6	0	0	0	0	110.1	I122	C83-I122 HydrophobicContact CB-CG2 4.17Å
84	T	91.5	Very high	89.7	Confident	49 Å²	49	59.1 Å²	59.1	30%	0.301	29%	0.292	S	S	.	.			trans	-105.9	-15.7	177.3	57.4	0	0	0	0	112.8	G27 V28 N29 Q86	G27-T84 WeakPolarHBondContact CA-OG1 3.43Å; G27-T84 PolarHBondContact O-N 3.47Å; G27-T84 PolarHBondContact O-OG1 3Å; G27-T84 VanDerWaalsContact O-OG1 3.1Å; V28-T84 PolarHBondContact N-OG1 3.45Å; N29-T84 HydrophobicContact CB-CG2 3.93Å; N29-T84 VanDerWaalsContact ND2-CG2 3.33Å; N29-T84 WeakPolarHBondContact ND2-CG2 3.33Å; T84-Q86 PolarHBondContact O-N 3.43Å
85	T	86	Confident	89.7	Confident	29 Å²	29	55 Å²	55	18%	0.178	27%	0.274	C	S	.	.			trans	-63.6	119.8	175.3	-68.2	0	0	0	0	110.5	P26 G27 Q124	P26-T85 WeakPolarHBondContact CA-OG1 3.39Å; G27-T85 PolarHBondContact N-OG1 3.08Å; T85-Q124 VanDerWaalsContact O-CD 3.22Å; T85-Q124 WeakPolarHBondContact O-CG 3.21Å; T85-Q124 PolarHBondContact O-NE2 3.46Å
86	Q	83.1	Confident	89.8	Confident	191 Å²	191	48.6 Å²	48.6	89%	0.893	25%	0.25	S	S	*	.			trans	-104	83.8	171.1	-64.4	-173.7	-2.8	0	0	109.2	T84	T84-Q86 PolarHBondContact O-N 3.43Å
87	S	82	Confident	89.7	Confident	43 Å²	43	50 Å²	50	30%	0.301	26%	0.255	S	S	.	.			trans	-113.9	151.8	170.3	74.1	0	0	0	0	110.6	P89 P91 Q124	S87-P89 CarbonylContact C-O 3.59Å; S87-P89 CarbonylContact O-C 3.56Å; S87-P89 VanDerWaalsContact O-C 3.31Å; S87-P89 PolarHBondContact OG-O 3.45Å; S87-P91 VanDerWaalsContact OG-CD 3.27Å; S87-P91 WeakPolarHBondContact OG-CD 3.42Å; S87-Q124 PolarHBondContact O-NE2 3Å; S87-Q124 VanDerWaalsContact O-NE2 3.1Å; S87-Q124 PolarHBondContact O-OE1 3.4Å
88	Y	82.2	Confident	89.9	Confident	228 Å²	228	46.8 Å²	46.8	89%	0.894	24%	0.241	S	C	*	.	S	Bend	trans	-127.4	116.7	174.6	-168.8	-96.9	0	0	0	111
89	P	80.7	Confident	89.9	Confident	102 Å²	102	46.9 Å²	46.9	66%	0.662	24%	0.242	S	C	*	.	S	Bend	cis	-66.7	159.5	-4.8	29.5	-34.4	0	0	0	112.8	S87	S87-P89 CarbonylContact C-O 3.59Å; S87-P89 CarbonylContact O-C 3.56Å; S87-P89 VanDerWaalsContact O-C 3.31Å; S87-P89 PolarHBondContact OG-O 3.45Å
90	P	79.8	Confident	89.8	Confident	67 Å²	67	46.9 Å²	46.9	44%	0.435	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-58.4	143.8	170.9	23	-33.1	0	0	0	110.9	Q124	P90-Q124 VanDerWaalsContact CB-CD 3.5Å; P90-Q124 HydrophobicContact CB-CG 3.98Å
91	P	85.1	Confident	89.7	Confident	17 Å²	17	47.6 Å²	47.6	11%	0.11	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-69.1	139	174.1	32.8	-30.4	0	0	0	108.3	Y19 S87 W93	Y19-P91 HydrophobicContact CE2-CB 3.9Å; Y19-P91 HydrophobicContact CE2-CG 4.29Å; S87-P91 VanDerWaalsContact OG-CD 3.27Å; S87-P91 WeakPolarHBondContact OG-CD 3.42Å; P91-W93 PolarHBondContact O-N 3.08Å
92	A	88.5	Confident	89.5	Confident	39 Å²	39	47.5 Å²	47.5	32%	0.322	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	123.7	171.3	0	0	0	0	0	108.1	Y19 S20 W121	Y19-A92 CarbonylContact C-O 3.56Å; Y19-A92 WeakPolarHBondContact CA-O 3.18Å; Y19-A92 WeakPolarHBondContact CD2-O 3.3Å; S20-A92 PolarHBondContact N-O 3.42Å; S20-A92 VanDerWaalsContact OG-CB 3.29Å; S20-A92 WeakPolarHBondContact OG-CB 3.28Å; A92-W121 HydrophobicContact CB-CE3 3.94Å; A92-W121 HydrophobicContact CB-CH2 4.48Å; A92-W121 HydrophobicContact CB-CZ3 3.53Å
93	W	91.8	Very high	89.1	Confident	6 Å²	6	49.5 Å²	49.5	2%	0.023	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	113.5	178.5	-179.1	33.9	0	0	0	110.5	V14 T16 Y19 P26 V28 I48 P91 L95 W121 I122	V14-W93 HydrophobicContact CG1-CZ2 3.86Å; T16-W93 PolarHBondContact OG1-NE1 3.2Å; Y19-W93 HydrophobicContact CD2-CB 3.77Å; Y19-W93 AromaticContact CD2-CD1 3.78Å; Y19-W93 AromaticContact CD2-CG 3.92Å; Y19-W93 HydrophobicContact CD2-CG 3.92Å; Y19-W93 HydrophobicContact CE2-CB 4.21Å; Y19-W93 HydrophobicContact CE2-CG 4.47Å; P26-W93 HydrophobicContact CB-CE3 4.11Å; P26-W93 HydrophobicContact CB-CZ3 4.46Å; P26-W93 HydrophobicContact CG-CD2 3.49Å; P26-W93 VanDerWaalsContact CG-CD2 3.49Å; P26-W93 HydrophobicContact CG-CE3 3.37Å; P26-W93 HydrophobicContact CG-CG 4Å; P26-W93 HydrophobicContact CG-CH2 4.25Å; P26-W93 HydrophobicContact CG-CZ2 4.31Å; P26-W93 HydrophobicContact CG-CZ3 3.79Å; V28-W93 HydrophobicContact CG2-CH2 3.58Å; V28-W93 HydrophobicContact CG2-CZ3 3.4Å; V28-W93 VanDerWaalsContact CG2-CZ3 3.4Å; I48-W93 HydrophobicContact CD1-CH2 4.13Å; I48-W93 HydrophobicContact CD1-CZ2 4.34Å; P91-W93 PolarHBondContact O-N 3.08Å; W93-L95 HydrophobicContact CH2-CD1 4.4Å; W93-L95 HydrophobicContact CH2-CD2 4.01Å; W93-L95 HydrophobicContact CZ2-CB 4.17Å; W93-L95 HydrophobicContact CZ2-CD1 3.84Å; W93-L95 HydrophobicContact CZ2-CD2 4.24Å; W93-L95 HydrophobicContact CZ2-CG 4.31Å; W93-W121 CarbonylContact O-C 3.58Å; W93-W121 WeakPolarHBondContact O-CA 3.44Å; W93-I122 HydrophobicContact CD2-CB 4.43Å; W93-I122 HydrophobicContact CD2-CG1 4.22Å; W93-I122 HydrophobicContact CE3-CB 3.72Å; W93-I122 HydrophobicContact CE3-CG1 3.74Å; W93-I122 HydrophobicContact CE3-CG2 3.95Å; W93-I122 HydrophobicContact CZ3-CB 4.24Å; W93-I122 HydrophobicContact CZ3-CG1 4.02Å; W93-I122 HydrophobicContact CZ3-CG2 4.09Å; W93-I122 PolarHBondContact O-N 3.2Å
94	F	92.7	Very high	88.9	Confident	15 Å²	15	50 Å²	50	7%	0.066	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	105.4	171.3	-172.9	-89.9	0	0	0	109.3	G17 D18 D96 H119 W121 F180	G17-F94 PolarHBondContact N-O 3.24Å; D18-F94 HydrophobicContact CB-CB 3.94Å; D18-F94 PolarHBondContact O-N 3.34Å; F94-D96 HydrophobicContact CD1-CB 4.41Å; F94-D96 HydrophobicContact CE1-CB 4.2Å; F94-D96 PolarHBondContact O-N 3.1Å; F94-H119 VanDerWaalsContact CE2-C 3.46Å; F94-H119 WeakPolarHBondContact CE2-O 3.45Å; F94-H119 HydrophobicContact CZ-CB 4.14Å; F94-H119 WeakPolarHBondContact CZ-O 3.43Å; F94-W121 HydrophobicContact CB-CD2 3.93Å; F94-W121 HydrophobicContact CB-CE3 3.94Å; F94-W121 HydrophobicContact CB-CH2 4.1Å; F94-W121 HydrophobicContact CB-CZ2 4.06Å; F94-W121 HydrophobicContact CB-CZ3 4.01Å; F94-W121 AromaticContact CD2-CD1 3.6Å; F94-W121 HydrophobicContact CD2-CD2 4.04Å; F94-W121 AromaticContact CD2-CE2 3.79Å; F94-W121 AromaticContact CD2-CG 3.98Å; F94-W121 HydrophobicContact CD2-CG 3.98Å; F94-W121 HydrophobicContact CD2-CZ2 4.43Å; F94-W121 AromaticContact CD2-NE1 3.52Å; F94-F180 HydrophobicContact CB-CE1 4.18Å; F94-F180 AromaticContact CD1-CE1 3.75Å; F94-F180 HydrophobicContact CD1-CE1 3.75Å; F94-F180 AromaticContact CD1-CZ 3.96Å; F94-F180 HydrophobicContact CD1-CZ 3.96Å; F94-F180 HydrophobicContact CD2-CE1 4.08Å; F94-F180 AromaticContact CD2-CZ 3.68Å; F94-F180 HydrophobicContact CD2-CZ 3.68Å; F94-F180 HydrophobicContact CE1-CE1 4.09Å; F94-F180 AromaticContact CE1-CZ 3.94Å; F94-F180 HydrophobicContact CE1-CZ 3.94Å; F94-F180 HydrophobicContact CE2-CE1 4.4Å; F94-F180 HydrophobicContact CE2-CE2 4.48Å; F94-F180 AromaticContact CE2-CZ 3.66Å; F94-F180 HydrophobicContact CE2-CZ 3.66Å; F94-F180 AromaticContact CG-CE1 3.72Å; F94-F180 HydrophobicContact CG-CE1 3.72Å; F94-F180 AromaticContact CG-CZ 3.81Å; F94-F180 HydrophobicContact CG-CZ 3.81Å; F94-F180 HydrophobicContact CZ-CE1 4.39Å; F94-F180 AromaticContact CZ-CZ 3.78Å; F94-F180 HydrophobicContact CZ-CZ 3.78Å
95	L	93.1	Very high	87.9	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	115.5	173.7	179	54.1	0	0	0	108.4	V14 V15 F81 W93 V98 V118 H119 Q120 I122	V14-L95 HydrophobicContact CG1-CD1 3.51Å; V15-L95 WeakPolarHBondContact O-CD1 3.4Å; F81-L95 HydrophobicContact CE1-CD2 4.28Å; F81-L95 HydrophobicContact CE2-CD2 3.78Å; F81-L95 HydrophobicContact CZ-CD2 3.62Å; W93-L95 HydrophobicContact CH2-CD1 4.4Å; W93-L95 HydrophobicContact CH2-CD2 4.01Å; W93-L95 HydrophobicContact CZ2-CB 4.17Å; W93-L95 HydrophobicContact CZ2-CD1 3.84Å; W93-L95 HydrophobicContact CZ2-CD2 4.24Å; W93-L95 HydrophobicContact CZ2-CG 4.31Å; L95-V98 HydrophobicContact CD1-CG2 4.23Å; L95-V98 HydrophobicContact CD2-CG2 4.1Å; L95-V118 HydrophobicContact CB-CB 4.44Å; L95-V118 HydrophobicContact CB-CG1 4.13Å; L95-V118 HydrophobicContact CD2-CB 4.31Å; L95-V118 HydrophobicContact CD2-CG1 4.04Å; L95-V118 HydrophobicContact CD2-CG2 3.98Å; L95-V118 HydrophobicContact CG-CB 3.94Å; L95-V118 HydrophobicContact CG-CG1 3.97Å; L95-V118 HydrophobicContact CG-CG2 3.97Å; L95-V118 WeakPolarHBondContact O-CB 3.26Å; L95-H119 WeakPolarHBondContact O-CA 3.44Å; L95-H119 PolarHBondContact O-N 3.28Å; L95-Q120 PolarHBondContact N-O 3.38Å; L95-Q120 PolarHBondContact O-N 3.29Å; L95-I122 HydrophobicContact CB-CD1 3.84Å; L95-I122 HydrophobicContact CB-CG1 3.6Å; L95-I122 HydrophobicContact CD2-CD1 4.27Å; L95-I122 HydrophobicContact CD2-CG1 4.35Å
96	D	92.8	Very high	86.7	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-55.2	-177.7	-173.6	-109	0	0	0	110.4	V15 F94 V118 H119 S669	V15-D96 HydrophobicContact CG1-CB 4.37Å; V15-D96 WeakPolarHBondContact O-CB 3.46Å; V15-D96 PolarHBondContact O-N 3.27Å; F94-D96 HydrophobicContact CD1-CB 4.41Å; F94-D96 HydrophobicContact CE1-CB 4.2Å; F94-D96 PolarHBondContact O-N 3.1Å; D96-V118 PolarHBondContact O-N 2.87Å; D96-H119 PolarHBondContact O-CE1 2.93Å; D96-H119 PolarHBondContact O-N 3.01Å; D96-H119 PolarHBondContact O-ND1 3.26Å; D96-H119 IonicContact OD1-CE1 3.54Å; D96-H119 IonicContact OD2-CE1 3.31Å; D96-H119 PolarHBondContact OD2-CE1 2.68Å; D96-H119 IonicContact OD2-ND1 2.92Å; D96-H119 PolarHBondContact OD2-ND1 2.82Å; D96-S669 WeakPolarHBondContact OD2-CB 3.37Å; D96-S669 PolarHBondContact OD2-OG 3.27Å
97	R	93.5	Very high	85	Confident	33 Å²	33	52.7 Å²	52.7	13%	0.125	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	158	177.5	55.8	-175.5	152.9	-90.8	-14.6	112.5	V15 F116 D670	V15-R97 HydrophobicContact CB-CG 3.7Å; V15-R97 HydrophobicContact CG1-CG 4.32Å; V15-R97 HydrophobicContact CG2-CG 3.85Å; V15-R97 PolarHBondContact N-O 3.28Å; V15-R97 PolarHBondContact O-N 2.84Å; R97-F116 CarbonylContact C-O 3.51Å; R97-F116 VanDerWaalsContact CA-O 3.28Å; R97-F116 WeakPolarHBondContact CA-O 3.23Å; R97-F116 WeakPolarHBondContact CB-O 3.28Å; R97-D670 VanDerWaalsContact NH1-N 3.16Å; R97-D670 PolarHBondContact NH1-O 2.89Å
98	V	94.9	Very high	83.8	Confident	6 Å²	6	55.7 Å²	55.7	4%	0.036	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.8	166.3	-177.7	0	0	0	0	108.8	V12 C13 I79 L95 I100 F116 V118	V12-V98 HydrophobicContact CG1-CG1 3.8Å; C13-V98 CarbonylContact O-C 3.4Å; C13-V98 WeakPolarHBondContact O-CA 3.41Å; I79-V98 HydrophobicContact CD1-CB 3.92Å; I79-V98 HydrophobicContact CD1-CG1 4.07Å; I79-V98 HydrophobicContact CD1-CG2 4.17Å; L95-V98 HydrophobicContact CD1-CG2 4.23Å; L95-V98 HydrophobicContact CD2-CG2 4.1Å; V98-I100 HydrophobicContact CG1-CG1 4.17Å; V98-F116 HydrophobicContact CB-CB 4.14Å; V98-F116 HydrophobicContact CB-CD2 4.49Å; V98-F116 PolarHBondContact N-O 2.87Å; V98-F116 WeakPolarHBondContact O-CB 3.49Å; V98-F116 WeakPolarHBondContact O-CD2 3.26Å; V98-F116 PolarHBondContact O-N 3.08Å; V98-V118 HydrophobicContact CG2-CG2 4.47Å
99	I	94.7	Very high	82.5	Confident	26 Å²	26	48.9 Å²	48.9	13%	0.133	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	119.7	177.6	-53.9	171.2	0	0	0	107.9	C13 V15 Y113 F114 F115	C13-I99 HydrophobicContact CB-CB 4.25Å; C13-I99 PolarHBondContact N-O 2.92Å; C13-I99 PolarHBondContact O-N 3.45Å; V15-I99 HydrophobicContact CG2-CD1 4.23Å; I99-Y113 HydrophobicContact CG2-CD1 4.12Å; I99-F114 CarbonylContact C-O 3.55Å; I99-F114 WeakPolarHBondContact CA-O 3.33Å; I99-F115 HydrophobicContact CD1-CD1 4.27Å; I99-F115 HydrophobicContact CD1-CE1 4.2Å; I99-F115 HydrophobicContact CG1-CD1 3.96Å; I99-F115 HydrophobicContact CG1-CE1 4.3Å; I99-F115 HydrophobicContact CG2-CD1 4.25Å; I99-F115 HydrophobicContact CG2-CE1 4.14Å
100	I	95.2	Very high	81.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126	176.8	-60.2	172.6	0	0	0	109.3	F10 E11 V12 M30 M32 L76 I79 V98 F114 F116	F10-I100 HydrophobicContact CB-CG2 4.25Å; F10-I100 HydrophobicContact CD1-CG2 3.96Å; F10-I100 HydrophobicContact CG-CG2 4.46Å; E11-I100 CarbonylContact O-C 3.6Å; E11-I100 WeakPolarHBondContact O-CA 3.47Å; V12-I100 HydrophobicContact CG1-CG1 4.28Å; V12-I100 HydrophobicContact CG2-CG1 4.28Å; M30-I100 HydrophobicContact SD-CD1 4.37Å; M32-I100 HydrophobicContact CE-CD1 3.6Å; M32-I100 HydrophobicContact CE-CG1 4.32Å; M32-I100 HydrophobicContact CE-CG2 4.24Å; M32-I100 HydrophobicContact CG-CD1 4.4Å; M32-I100 HydrophobicContact SD-CD1 4.22Å; L76-I100 HydrophobicContact CD2-CB 3.79Å; L76-I100 HydrophobicContact CD2-CD1 3.77Å; L76-I100 HydrophobicContact CD2-CG1 4.35Å; L76-I100 HydrophobicContact CD2-CG2 3.74Å; I79-I100 HydrophobicContact CG2-CD1 3.55Å; V98-I100 HydrophobicContact CG1-CG1 4.17Å; I100-F114 HydrophobicContact CB-CB 4.5Å; I100-F114 PolarHBondContact N-O 3.44Å; I100-F114 PolarHBondContact O-N 2.88Å; I100-F116 HydrophobicContact CB-CE2 4.08Å; I100-F116 HydrophobicContact CD1-CD2 4.16Å; I100-F116 HydrophobicContact CD1-CE2 3.65Å; I100-F116 HydrophobicContact CD1-CZ 4.42Å; I100-F116 HydrophobicContact CG1-CD2 4.28Å; I100-F116 HydrophobicContact CG1-CE2 3.92Å
101	R	92.5	Very high	81.5	Confident	58 Å²	58	53.5 Å²	53.5	22%	0.219	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.7	177.1	-49.3	176.9	178.7	-175.5	-12.7	108.8	F10 E11 W111 K112 Y113	F10-R101 CarbonylContact C-O 3.5Å; F10-R101 WeakPolarHBondContact CA-O 3.47Å; E11-R101 HydrophobicContact CB-CB 4.15Å; E11-R101 HydrophobicContact CB-CG 4.43Å; E11-R101 PolarHBondContact N-O 3.36Å; E11-R101 PolarHBondContact O-N 2.71Å; E11-R101 IonicContact OE2-NH1 3.46Å; E11-R101 PolarHBondContact OE2-NH1 2.95Å; R101-W111 HydrophobicContact CB-CE3 4.03Å; R101-W111 HydrophobicContact CB-CZ3 4.39Å; R101-W111 VanDerWaalsContact CD-CZ3 3.46Å; R101-W111 HydrophobicContact CG-CE3 4.3Å; R101-K112 CarbonylContact C-O 3.58Å; R101-K112 WeakPolarHBondContact CA-O 3.36Å; R101-Y113 HydrophobicContact CG-CD1 3.82Å; R101-Y113 HydrophobicContact CG-CE1 3.74Å
102	D	91.4	Very high	81.6	Confident	2 Å²	2	57 Å²	57	1%	0.011	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	113.3	178	-173.7	-15.6	0	0	0	110.7	F10 R104 F105 K112 F114	F10-D102 HydrophobicContact CD1-CB 3.96Å; F10-D102 HydrophobicContact CE1-CB 3.91Å; D102-R104 VanDerWaalsContact OD1-CB 3.26Å; D102-R104 WeakPolarHBondContact OD1-CB 3.45Å; D102-R104 VanDerWaalsContact OD1-CG 3.28Å; D102-R104 WeakPolarHBondContact OD1-CG 3.42Å; D102-R104 IonicContact OD1-CZ 2.82Å; D102-R104 PolarHBondContact OD1-N 2.83Å; D102-R104 IonicContact OD1-NE 3.45Å; D102-R104 PolarHBondContact OD1-NE 3Å; D102-R104 IonicContact OD1-NH2 3.59Å; D102-R104 IonicContact OD2-CZ 3.66Å; D102-R104 IonicContact OD2-NE 2.7Å; D102-R104 PolarHBondContact OD2-NE 2.79Å; D102-R104 IonicContact OD2-NH2 3.84Å; D102-R104 PolarHBondContact OD2-NH2 3.14Å; D102-F105 WeakPolarHBondContact OD2-CE2 3.27Å; D102-K112 HydrophobicContact CB-CB 4.32Å; D102-K112 PolarHBondContact N-O 3.47Å; D102-F114 HydrophobicContact CB-CE2 3.89Å
103	R	87.6	Confident	81.8	Confident	109 Å²	109	59.9 Å²	59.9	41%	0.411	30%	0.296	S	S	.	.			trans	-96.5	-1.2	-177.4	-64.3	-172.4	64.2	170.1	-3.3	113.4	I8 A9 E11 F105	I8-R103 WeakPolarHBondContact O-CB 3.5Å; A9-R103 PolarHBondContact O-N 3.01Å; E11-R103 IonicContact OE1-CZ 3.56Å; E11-R103 IonicContact OE1-NH1 3.77Å; E11-R103 PolarHBondContact OE1-NH1 2.58Å; R103-F105 VanDerWaalsContact C-N 3.32Å; R103-F105 PolarHBondContact O-N 3.07Å
104	R	87.1	Confident	81.8	Confident	25 Å²	25	59.7 Å²	59.7	9%	0.094	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-20.8	-170.5	-55.9	173.7	-67.3	162.5	4.2	113.5	A9 L64 S68 L70 F73 K74 D102 G106	A9-R104 HydrophobicContact CB-CG 3.84Å; L64-R104 HydrophobicContact CD1-CG 4.15Å; S68-R104 WeakPolarHBondContact O-CD 3.39Å; S68-R104 PolarHBondContact O-NH1 3.19Å; L70-R104 HydrophobicContact CD1-CB 4.15Å; L70-R104 WeakPolarHBondContact CD1-O 3.31Å; L70-R104 HydrophobicContact CG-CB 4.07Å; F73-R104 PolarHBondContact O-NH1 3.48Å; K74-R104 PolarHBondContact O-NH2 3.27Å; D102-R104 VanDerWaalsContact OD1-CB 3.26Å; D102-R104 WeakPolarHBondContact OD1-CB 3.45Å; D102-R104 VanDerWaalsContact OD1-CG 3.28Å; D102-R104 WeakPolarHBondContact OD1-CG 3.42Å; D102-R104 IonicContact OD1-CZ 2.82Å; D102-R104 PolarHBondContact OD1-N 2.83Å; D102-R104 IonicContact OD1-NE 3.45Å; D102-R104 PolarHBondContact OD1-NE 3Å; D102-R104 IonicContact OD1-NH2 3.59Å; D102-R104 IonicContact OD2-CZ 3.66Å; D102-R104 IonicContact OD2-NE 2.7Å; D102-R104 PolarHBondContact OD2-NE 2.79Å; D102-R104 IonicContact OD2-NH2 3.84Å; D102-R104 PolarHBondContact OD2-NH2 3.14Å; R104-G106 PolarHBondContact O-N 2.54Å
105	F	70.2	Confident	81.9	Confident	80 Å²	80	62.1 Å²	62.1	35%	0.351	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-2	-176.2	-75.6	-81.5	0	0	0	115.1	L70 D102 R103 K112	L70-F105 HydrophobicContact CD1-CD1 4.05Å; L70-F105 HydrophobicContact CD1-CE1 4.28Å; L70-F105 HydrophobicContact CD1-CG 4.36Å; L70-F105 HydrophobicContact CD2-CD1 4.05Å; L70-F105 HydrophobicContact CD2-CD2 4.32Å; L70-F105 HydrophobicContact CD2-CE1 3.5Å; L70-F105 VanDerWaalsContact CD2-CE1 3.5Å; L70-F105 HydrophobicContact CD2-CE2 3.81Å; L70-F105 HydrophobicContact CD2-CG 4.44Å; L70-F105 HydrophobicContact CD2-CZ 3.37Å; D102-F105 WeakPolarHBondContact OD2-CE2 3.27Å; R103-F105 VanDerWaalsContact C-N 3.32Å; R103-F105 PolarHBondContact O-N 3.07Å; F105-K112 HydrophobicContact CD2-CD 3.9Å; F105-K112 HydrophobicContact CE2-CD 3.89Å
106	G	61.2	Low	81.9	Confident	44 Å²	44	62 Å²	62	45%	0.454	31%	0.306	S	S	.	.			trans	81	-167.3	161.7	0	0	0	0	0	116.4	R104 T108	R104-G106 PolarHBondContact O-N 2.54Å; G106-T108 PolarHBondContact O-N 3.12Å
107	M	48.9	Very low	81.9	Confident	201 Å²	201	62.4 Å²	62.4	99%	0.99	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	2.9	-152	-68.2	177.6	61.4	0	0	120	A109	M107-A109 PolarHBondContact O-N 3.04Å
108	T	56.6	Low	81.8	Confident	107 Å²	107	61 Å²	61	66%	0.656	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-5	179.1	56.5	0	0	0	0	113.8	G106 E110	G106-T108 PolarHBondContact O-N 3.12Å; T108-E110 PolarHBondContact O-N 3.21Å; T108-E110 VanDerWaalsContact O-N 3.14Å
109	A	54.8	Low	81.5	Confident	84 Å²	84	61.1 Å²	61.1	69%	0.694	30%	0.304	S	S	*	.			trans	61.7	8	-174.6	0	0	0	0	0	115.3	M107 W111	M107-A109 PolarHBondContact O-N 3.04Å; A109-W111 VanDerWaalsContact O-CD1 3.22Å
110	E	62.1	Low	81.3	Confident	162 Å²	162	61.2 Å²	61.2	76%	0.757	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-89.9	122.3	174.4	-79.4	-166.5	157	0	0	111.6	T108	T108-E110 PolarHBondContact O-N 3.21Å; T108-E110 VanDerWaalsContact O-N 3.14Å
111	W	77.3	Confident	81	Confident	105 Å²	105	63 Å²	63	40%	0.398	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-84.8	132.9	179.6	-62	53.9	0	0	0	108.4	E11 R101 A109 Y113	E11-W111 VanDerWaalsContact OE2-CZ3 3.22Å; E11-W111 WeakPolarHBondContact OE2-CZ3 3.37Å; R101-W111 HydrophobicContact CB-CE3 4.03Å; R101-W111 HydrophobicContact CB-CZ3 4.39Å; R101-W111 VanDerWaalsContact CD-CZ3 3.46Å; R101-W111 HydrophobicContact CG-CE3 4.3Å; A109-W111 VanDerWaalsContact O-CD1 3.22Å; W111-Y113 HydrophobicContact CB-CD2 4.13Å; W111-Y113 HydrophobicContact CB-CE2 3.42Å; W111-Y113 VanDerWaalsContact CB-CE2 3.42Å; W111-Y113 HydrophobicContact CG-CE2 4.36Å
112	K	87.5	Confident	80.9	Confident	91 Å²	91	61 Å²	61	40%	0.396	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.8	167.3	-75.3	-170.5	-179.1	174.4	0	109.5	R101 D102 F105 F114	R101-K112 CarbonylContact C-O 3.58Å; R101-K112 WeakPolarHBondContact CA-O 3.36Å; D102-K112 HydrophobicContact CB-CB 4.32Å; D102-K112 PolarHBondContact N-O 3.47Å; F105-K112 HydrophobicContact CD2-CD 3.9Å; F105-K112 HydrophobicContact CE2-CD 3.89Å; K112-F114 HydrophobicContact CB-CE2 4.08Å
113	Y	90.9	Very high	80.7	Confident	98 Å²	98	63.2 Å²	63.2	38%	0.384	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.7	177.1	-64.2	-96.9	0	0	0	109.7	I99 R101 W111 F115	I99-Y113 HydrophobicContact CG2-CD1 4.12Å; R101-Y113 HydrophobicContact CG-CD1 3.82Å; R101-Y113 HydrophobicContact CG-CE1 3.74Å; W111-Y113 HydrophobicContact CB-CD2 4.13Å; W111-Y113 HydrophobicContact CB-CE2 3.42Å; W111-Y113 VanDerWaalsContact CB-CE2 3.42Å; W111-Y113 HydrophobicContact CG-CE2 4.36Å; Y113-F115 HydrophobicContact CG-CZ 4.37Å
114	F	93.7	Very high	80.5	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.009	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131.9	170.7	-61.5	-95.3	0	0	0	107.2	R75 L76 I99 I100 D102 K112 F116 D132	R75-F114 HydrophobicContact CG-CE1 3.79Å; R75-F114 HydrophobicContact CG-CZ 3.82Å; L76-F114 HydrophobicContact CB-CD1 4Å; L76-F114 HydrophobicContact CB-CD2 4.28Å; L76-F114 HydrophobicContact CB-CE1 3.9Å; L76-F114 HydrophobicContact CB-CE2 4.19Å; L76-F114 HydrophobicContact CB-CG 4.21Å; L76-F114 HydrophobicContact CB-CZ 3.99Å; L76-F114 HydrophobicContact CD2-CB 3.94Å; L76-F114 HydrophobicContact CD2-CD1 4.34Å; L76-F114 HydrophobicContact CD2-CD2 4.03Å; L76-F114 HydrophobicContact CD2-CG 3.85Å; L76-F114 HydrophobicContact CG-CD1 4.39Å; L76-F114 HydrophobicContact CG-CG 4.38Å; L76-F114 WeakPolarHBondContact O-CE1 3.2Å; I99-F114 CarbonylContact C-O 3.55Å; I99-F114 WeakPolarHBondContact CA-O 3.33Å; I100-F114 HydrophobicContact CB-CB 4.5Å; I100-F114 PolarHBondContact N-O 3.44Å; I100-F114 PolarHBondContact O-N 2.88Å; D102-F114 HydrophobicContact CB-CE2 3.89Å; K112-F114 HydrophobicContact CB-CE2 4.08Å; F114-F116 HydrophobicContact CB-CE2 3.6Å; F114-F116 HydrophobicContact CB-CZ 3.8Å; F114-D132 WeakPolarHBondContact CA-OD1 3.38Å; F114-D132 HydrophobicContact CD1-CB 4.12Å; F114-D132 WeakPolarHBondContact CD1-OD2 3.41Å
115	F	93.3	Very high	80.3	Confident	66 Å²	66	66.8 Å²	66.8	29%	0.289	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	119.2	-173.5	-63.2	-91.2	0	0	0	109.1	I99 Y113 P117 D132 C133 F673	I99-F115 HydrophobicContact CD1-CD1 4.27Å; I99-F115 HydrophobicContact CD1-CE1 4.2Å; I99-F115 HydrophobicContact CG1-CD1 3.96Å; I99-F115 HydrophobicContact CG1-CE1 4.3Å; I99-F115 HydrophobicContact CG2-CD1 4.25Å; I99-F115 HydrophobicContact CG2-CE1 4.14Å; Y113-F115 HydrophobicContact CG-CZ 4.37Å; F115-P117 VanDerWaalsContact O-CD 3.26Å; F115-P117 WeakPolarHBondContact O-CD 3.24Å; F115-D132 PolarHBondContact N-OD1 2.86Å; F115-D132 CarbonylContact O-C 3.6Å; F115-D132 WeakPolarHBondContact O-CA 3.41Å; F115-C133 PolarHBondContact O-N 2.86Å; F115-F673 HydrophobicContact CB-CB 4.43Å; F115-F673 HydrophobicContact CB-CD1 3.66Å; F115-F673 HydrophobicContact CB-CE1 4.23Å; F115-F673 HydrophobicContact CB-CG 4.18Å; F115-F673 AromaticContact CD1-CD1 3.99Å; F115-F673 HydrophobicContact CD1-CD1 3.99Å; F115-F673 HydrophobicContact CD1-CE1 4.1Å; F115-F673 AromaticContact CG-CD1 3.92Å; F115-F673 HydrophobicContact CG-CD1 3.92Å; F115-F673 HydrophobicContact CG-CE1 4.44Å
116	F	94.5	Very high	81.1	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	92.7	-179.3	-59	-79.9	0	0	0	108.2	L76 I79 R97 V98 I100 F114 V118 V130 H131 D132	L76-F116 HydrophobicContact CD2-CE2 3.8Å; L76-F116 HydrophobicContact CD2-CZ 3.59Å; L76-F116 HydrophobicContact CG-CZ 3.9Å; I79-F116 HydrophobicContact CD1-CB 3.81Å; I79-F116 HydrophobicContact CD1-CD1 4.18Å; I79-F116 HydrophobicContact CD1-CD2 4.02Å; I79-F116 HydrophobicContact CD1-CG 3.71Å; I79-F116 HydrophobicContact CG1-CB 4.28Å; I79-F116 HydrophobicContact CG1-CD1 3.83Å; I79-F116 HydrophobicContact CG1-CD2 4.45Å; I79-F116 HydrophobicContact CG1-CE1 4.33Å; I79-F116 HydrophobicContact CG1-CG 3.91Å; I79-F116 HydrophobicContact CG2-CD1 4.39Å; I79-F116 HydrophobicContact CG2-CD2 4.36Å; I79-F116 HydrophobicContact CG2-CE1 4.11Å; I79-F116 HydrophobicContact CG2-CE2 4.09Å; I79-F116 HydrophobicContact CG2-CZ 3.96Å; R97-F116 CarbonylContact C-O 3.51Å; R97-F116 VanDerWaalsContact CA-O 3.28Å; R97-F116 WeakPolarHBondContact CA-O 3.23Å; R97-F116 WeakPolarHBondContact CB-O 3.28Å; V98-F116 HydrophobicContact CB-CB 4.14Å; V98-F116 HydrophobicContact CB-CD2 4.49Å; V98-F116 PolarHBondContact N-O 2.87Å; V98-F116 WeakPolarHBondContact O-CB 3.49Å; V98-F116 WeakPolarHBondContact O-CD2 3.26Å; V98-F116 PolarHBondContact O-N 3.08Å; I100-F116 HydrophobicContact CB-CE2 4.08Å; I100-F116 HydrophobicContact CD1-CD2 4.16Å; I100-F116 HydrophobicContact CD1-CE2 3.65Å; I100-F116 HydrophobicContact CD1-CZ 4.42Å; I100-F116 HydrophobicContact CG1-CD2 4.28Å; I100-F116 HydrophobicContact CG1-CE2 3.92Å; F114-F116 HydrophobicContact CB-CE2 3.6Å; F114-F116 HydrophobicContact CB-CZ 3.8Å; F116-V118 PolarHBondContact O-N 2.77Å; F116-V130 HydrophobicContact CB-CB 4.36Å; F116-V130 HydrophobicContact CB-CG1 3.77Å; F116-V130 HydrophobicContact CD1-CG1 4.36Å; F116-V130 VanDerWaalsContact CD1-O 3.3Å; F116-V130 WeakPolarHBondContact CD1-O 3.25Å; F116-H131 WeakPolarHBondContact CD1-O 3.45Å; F116-D132 HydrophobicContact CE1-CB 4.01Å; F116-D132 VanDerWaalsContact CE1-N 3.32Å; F116-D132 HydrophobicContact CZ-CB 4.25Å
117	P	91.8	Very high	82.5	Confident	11 Å²	11	67.3 Å²	67.3	7%	0.071	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	124.7	176.1	26.4	-31.3	0	0	0	110.1	F115 H119 V130 E134 F673	F115-P117 VanDerWaalsContact O-CD 3.26Å; F115-P117 WeakPolarHBondContact O-CD 3.24Å; P117-H119 WeakPolarHBondContact CB-NE2 3.22Å; P117-V130 WeakPolarHBondContact O-CG1 3.48Å; P117-E134 HydrophobicContact CG-CB 3.99Å; P117-F673 HydrophobicContact CB-CD2 3.78Å; P117-F673 HydrophobicContact CB-CE2 3.56Å; P117-F673 HydrophobicContact CB-CZ 4.47Å; P117-F673 HydrophobicContact CG-CD2 3.97Å; P117-F673 HydrophobicContact CG-CE2 4.26Å
118	V	91.4	Very high	84.6	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.03	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-50.4	-178.1	-174	0	0	0	0	110.4	F81 L95 D96 V98 F116 Q120 I122 V130	F81-V118 HydrophobicContact CE1-CG1 4.41Å; F81-V118 HydrophobicContact CE1-CG2 4.31Å; F81-V118 HydrophobicContact CZ-CG1 3.92Å; F81-V118 HydrophobicContact CZ-CG2 4.48Å; L95-V118 HydrophobicContact CB-CB 4.44Å; L95-V118 HydrophobicContact CB-CG1 4.13Å; L95-V118 HydrophobicContact CD2-CB 4.31Å; L95-V118 HydrophobicContact CD2-CG1 4.04Å; L95-V118 HydrophobicContact CD2-CG2 3.98Å; L95-V118 HydrophobicContact CG-CB 3.94Å; L95-V118 HydrophobicContact CG-CG1 3.97Å; L95-V118 HydrophobicContact CG-CG2 3.97Å; L95-V118 WeakPolarHBondContact O-CB 3.26Å; D96-V118 PolarHBondContact O-N 2.87Å; V98-V118 HydrophobicContact CG2-CG2 4.47Å; F116-V118 PolarHBondContact O-N 2.77Å; V118-Q120 VanDerWaalsContact C-N 3.26Å; V118-Q120 HydrophobicContact CG1-CG 3.9Å; V118-Q120 PolarHBondContact O-N 3.38Å; V118-Q120 VanDerWaalsContact O-N 3.12Å; V118-I122 HydrophobicContact CG1-CD1 4.08Å; V118-V130 HydrophobicContact CG2-CG1 4.49Å; V118-V130 HydrophobicContact CG2-CG2 4.28Å
119	H	89.4	Confident	86.3	Confident	7 Å²	7	55 Å²	55	3%	0.032	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	44.3	42.1	175.6	-52.5	-62.9	0	0	0	115.4	F94 L95 D96 P117 Q391 D670 F671 F673	F94-H119 VanDerWaalsContact CE2-C 3.46Å; F94-H119 WeakPolarHBondContact CE2-O 3.45Å; F94-H119 HydrophobicContact CZ-CB 4.14Å; F94-H119 WeakPolarHBondContact CZ-O 3.43Å; L95-H119 WeakPolarHBondContact O-CA 3.44Å; L95-H119 PolarHBondContact O-N 3.28Å; D96-H119 PolarHBondContact O-CE1 2.93Å; D96-H119 PolarHBondContact O-N 3.01Å; D96-H119 PolarHBondContact O-ND1 3.26Å; D96-H119 IonicContact OD1-CE1 3.54Å; D96-H119 IonicContact OD2-CE1 3.31Å; D96-H119 PolarHBondContact OD2-CE1 2.68Å; D96-H119 IonicContact OD2-ND1 2.92Å; D96-H119 PolarHBondContact OD2-ND1 2.82Å; P117-H119 WeakPolarHBondContact CB-NE2 3.22Å; H119-Q391 PolarHBondContact O-NE2 3.02Å; H119-D670 PolarHBondContact CE1-O 3Å; H119-D670 PolarHBondContact NE2-O 3.38Å; H119-D670 VanDerWaalsContact NE2-O 3.09Å; H119-F671 HydrophobicContact CB-CD1 4.37Å; H119-F671 HydrophobicContact CB-CE1 3.61Å; H119-F671 HydrophobicContact CB-CZ 4.2Å; H119-F671 AromaticContact CD2-CD1 3.51Å; H119-F671 AromaticContact CD2-CE1 3.64Å; H119-F671 AromaticContact CG-CD1 3.8Å; H119-F671 AromaticContact CG-CE1 3.41Å; H119-F671 VanDerWaalsContact CG-CE1 3.41Å; H119-F671 AromaticContact CG-CZ 3.98Å; H119-F671 AromaticContact ND1-CE1 3.88Å; H119-F671 AromaticContact NE2-CD1 3.86Å; H119-F673 AromaticContact NE2-CE2 3.75Å
120	Q	88.9	Confident	88.1	Confident	28 Å²	28	51.2 Å²	51.2	13%	0.131	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	157.6	-178.4	81.7	-160.4	-59.6	0	0	113.6	L95 V118 I122 Y128	L95-Q120 PolarHBondContact N-O 3.38Å; L95-Q120 PolarHBondContact O-N 3.29Å; V118-Q120 VanDerWaalsContact C-N 3.26Å; V118-Q120 HydrophobicContact CG1-CG 3.9Å; V118-Q120 PolarHBondContact O-N 3.38Å; V118-Q120 VanDerWaalsContact O-N 3.12Å; Q120-I122 HydrophobicContact CG-CD1 3.84Å; Q120-Y128 HydrophobicContact CG-CE1 3.97Å; Q120-Y128 VanDerWaalsContact OE1-CE1 3.31Å
121	W	89.3	Confident	89.5	Confident	39 Å²	39	43.8 Å²	43.8	15%	0.148	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	124.1	169.4	-65.1	87.8	0	0	0	109.9	D18 A92 W93 F94 Y128 S177 L179 F180	D18-W121 HydrophobicContact CB-CH2 3.73Å; D18-W121 HydrophobicContact CB-CZ2 4.4Å; D18-W121 HydrophobicContact CB-CZ3 4.29Å; A92-W121 HydrophobicContact CB-CE3 3.94Å; A92-W121 HydrophobicContact CB-CH2 4.48Å; A92-W121 HydrophobicContact CB-CZ3 3.53Å; W93-W121 CarbonylContact O-C 3.58Å; W93-W121 WeakPolarHBondContact O-CA 3.44Å; F94-W121 HydrophobicContact CB-CD2 3.93Å; F94-W121 HydrophobicContact CB-CE3 3.94Å; F94-W121 HydrophobicContact CB-CH2 4.1Å; F94-W121 HydrophobicContact CB-CZ2 4.06Å; F94-W121 HydrophobicContact CB-CZ3 4.01Å; F94-W121 AromaticContact CD2-CD1 3.6Å; F94-W121 HydrophobicContact CD2-CD2 4.04Å; F94-W121 AromaticContact CD2-CE2 3.79Å; F94-W121 AromaticContact CD2-CG 3.98Å; F94-W121 HydrophobicContact CD2-CG 3.98Å; F94-W121 HydrophobicContact CD2-CZ2 4.43Å; F94-W121 AromaticContact CD2-NE1 3.52Å; W121-Y128 PolarHBondContact O-OH 3.33Å; W121-S177 VanDerWaalsContact CD1-CA 3.41Å; W121-S177 VanDerWaalsContact NE1-C 3.25Å; W121-S177 PolarHBondContact NE1-O 3.17Å; W121-L179 WeakPolarHBondContact CZ2-O 3.28Å; W121-F180 HydrophobicContact CZ2-CD1 4.36Å; W121-F180 HydrophobicContact CZ2-CD2 4.32Å; W121-F180 HydrophobicContact CZ2-CE2 4.49Å; W121-F180 HydrophobicContact CZ2-CG 4.24Å
122	I	90.8	Very high	90.1	Very high	16 Å²	16	40.5 Å²	40.5	8%	0.082	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-83.7	123.1	-176	-56.4	-50.7	0	0	0	109.9	F81 C83 W93 L95 V118 Q120 Y128	F81-I122 HydrophobicContact CE2-CD1 3.79Å; F81-I122 HydrophobicContact CE2-CG1 4.36Å; F81-I122 HydrophobicContact CE2-CG2 4.43Å; F81-I122 HydrophobicContact CZ-CD1 3.87Å; C83-I122 HydrophobicContact CB-CG2 4.17Å; W93-I122 HydrophobicContact CD2-CB 4.43Å; W93-I122 HydrophobicContact CD2-CG1 4.22Å; W93-I122 HydrophobicContact CE3-CB 3.72Å; W93-I122 HydrophobicContact CE3-CG1 3.74Å; W93-I122 HydrophobicContact CE3-CG2 3.95Å; W93-I122 HydrophobicContact CZ3-CB 4.24Å; W93-I122 HydrophobicContact CZ3-CG1 4.02Å; W93-I122 HydrophobicContact CZ3-CG2 4.09Å; W93-I122 PolarHBondContact O-N 3.2Å; L95-I122 HydrophobicContact CB-CD1 3.84Å; L95-I122 HydrophobicContact CB-CG1 3.6Å; L95-I122 HydrophobicContact CD2-CD1 4.27Å; L95-I122 HydrophobicContact CD2-CG1 4.35Å; V118-I122 HydrophobicContact CG1-CD1 4.08Å; Q120-I122 HydrophobicContact CG-CD1 3.84Å; I122-Y128 WeakPolarHBondContact CA-OH 3.25Å; I122-Y128 HydrophobicContact CD1-CD2 4.43Å; I122-Y128 HydrophobicContact CD1-CE1 4.22Å; I122-Y128 HydrophobicContact CD1-CE2 4.06Å; I122-Y128 HydrophobicContact CG2-CE2 3.83Å
123	S	86.6	Confident	90.1	Very high	47 Å²	47	37.3 Å²	37.3	33%	0.329	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-94.8	147.4	173.8	56.3	0	0	0	0	111.4	D125 H126 Y128	S123-D125 VanDerWaalsContact C-N 3.29Å; S123-D125 PolarHBondContact O-N 2.91Å; S123-H126 WeakPolarHBondContact OG-CB 3.22Å; S123-Y128 PolarHBondContact N-OH 3.05Å; S123-Y128 PolarHBondContact OG-OH 3.31Å; S123-Y128 VanDerWaalsContact OG-OH 3.07Å
124	Q	85.1	Confident	89.8	Confident	49 Å²	49	33.6 Å²	33.6	23%	0.229	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-31	178.1	-74.8	175.1	-13.6	0	0	113.3	T85 S87 P90	T85-Q124 VanDerWaalsContact O-CD 3.22Å; T85-Q124 WeakPolarHBondContact O-CG 3.21Å; T85-Q124 PolarHBondContact O-NE2 3.46Å; S87-Q124 PolarHBondContact O-NE2 3Å; S87-Q124 VanDerWaalsContact O-NE2 3.1Å; S87-Q124 PolarHBondContact O-OE1 3.4Å; P90-Q124 VanDerWaalsContact CB-CD 3.5Å; P90-Q124 HydrophobicContact CB-CG 3.98Å
125	D	83.1	Confident	89.7	Confident	161 Å²	161	33.7 Å²	33.7	86%	0.861	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	21.7	-171.9	-54.7	-41.5	0	0	0	113.5	S123	S123-D125 VanDerWaalsContact C-N 3.29Å; S123-D125 PolarHBondContact O-N 2.91Å
126	H	86.5	Confident	89.6	Confident	38 Å²	38	33.7 Å²	33.7	18%	0.176	17%	0.172	C	C	.	.			trans	-134.5	145.6	-176.5	-157.9	65.7	0	0	0	112.8	S123 Y128 R153	S123-H126 WeakPolarHBondContact OG-CB 3.22Å; H126-Y128 HydrophobicContact CB-CE2 4.03Å; H126-Y128 AromaticContact CD2-CD1 3.89Å; H126-Y128 AromaticContact CD2-CE1 3.57Å; H126-Y128 AromaticContact CD2-CZ 3.7Å; H126-R153 PolarHBondContact CD2-NH1 2.8Å; H126-R153 VanDerWaalsContact CD2-NH1 3.29Å; H126-R153 PolarHBondContact CE1-NH1 3.41Å; H126-R153 PolarHBondContact ND1-NH1 3.17Å; H126-R153 PolarHBondContact NE2-NH1 3.02Å; H126-R153 PolarHBondContact NE2-NH2 3.11Å
127	Q	90.9	Very high	89.7	Confident	96 Å²	96	33.9 Å²	33.9	45%	0.449	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.4	177.2	-174.7	162.7	5.6	0	0	108.2	E80 W82	E80-Q127 HydrophobicContact CG-CG 3.89Å; E80-Q127 VanDerWaalsContact OE1-CD 3.25Å; E80-Q127 PolarHBondContact OE1-NE2 2.78Å; W82-Q127 HydrophobicContact CE3-CG 4.29Å
128	Y	92.1	Very high	89.8	Confident	11 Å²	11	34.3 Å²	34.3	4%	0.043	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.8	-171.9	-63.1	-89.2	0	0	0	109.8	E80 F81 Q120 W121 I122 S123 H126	E80-Y128 CarbonylContact C-O 3.6Å; E80-Y128 WeakPolarHBondContact CA-O 3.3Å; F81-Y128 HydrophobicContact CD2-CD2 4.12Å; F81-Y128 VanDerWaalsContact CE1-CB 3.4Å; F81-Y128 HydrophobicContact CE1-CG 4.13Å; F81-Y128 AromaticContact CE2-CD2 3.56Å; F81-Y128 HydrophobicContact CE2-CD2 3.56Å; F81-Y128 HydrophobicContact CE2-CE2 4.3Å; F81-Y128 AromaticContact CE2-CG 3.88Å; F81-Y128 HydrophobicContact CE2-CG 3.88Å; F81-Y128 VanDerWaalsContact CZ-CB 3.43Å; F81-Y128 HydrophobicContact CZ-CD1 4.36Å; F81-Y128 AromaticContact CZ-CD2 3.82Å; F81-Y128 HydrophobicContact CZ-CD2 3.82Å; F81-Y128 AromaticContact CZ-CG 3.61Å; F81-Y128 HydrophobicContact CZ-CG 3.61Å; F81-Y128 PolarHBondContact N-O 3.15Å; F81-Y128 PolarHBondContact O-N 3.19Å; Q120-Y128 HydrophobicContact CG-CE1 3.97Å; Q120-Y128 VanDerWaalsContact OE1-CE1 3.31Å; W121-Y128 PolarHBondContact O-OH 3.33Å; I122-Y128 WeakPolarHBondContact CA-OH 3.25Å; I122-Y128 HydrophobicContact CD1-CD2 4.43Å; I122-Y128 HydrophobicContact CD1-CE1 4.22Å; I122-Y128 HydrophobicContact CD1-CE2 4.06Å; I122-Y128 HydrophobicContact CG2-CE2 3.83Å; S123-Y128 PolarHBondContact N-OH 3.05Å; S123-Y128 PolarHBondContact OG-OH 3.31Å; S123-Y128 VanDerWaalsContact OG-OH 3.07Å; H126-Y128 HydrophobicContact CB-CE2 4.03Å; H126-Y128 AromaticContact CD2-CD1 3.89Å; H126-Y128 AromaticContact CD2-CE1 3.57Å; H126-Y128 AromaticContact CD2-CZ 3.7Å
129	V	92.6	Very high	89.9	Confident	38 Å²	38	37.7 Å²	37.7	23%	0.23	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.5	173.9	-178.7	0	0	0	0	107.9	I79 E80 F143 L146	I79-V129 WeakPolarHBondContact O-CA 3.46Å; E80-V129 HydrophobicContact CG-CG2 4.28Å; V129-F143 HydrophobicContact CG1-CD2 4.29Å; V129-F143 HydrophobicContact CG1-CE2 4.05Å; V129-L146 HydrophobicContact CB-CD1 4.04Å; V129-L146 HydrophobicContact CG2-CD1 3.87Å
130	V	92.4	Very high	90.1	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.036	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	133.2	-174.3	-171.5	0	0	0	0	110.8	H78 I79 F81 F116 P117 V118 E134	H78-V130 CarbonylContact C-O 3.57Å; H78-V130 VanDerWaalsContact CA-O 3.28Å; H78-V130 WeakPolarHBondContact CA-O 3.42Å; H78-V130 WeakPolarHBondContact CB-O 3.43Å; I79-V130 HydrophobicContact CG1-CB 4.19Å; I79-V130 PolarHBondContact N-O 2.9Å; I79-V130 PolarHBondContact O-N 3.43Å; F81-V130 HydrophobicContact CE1-CG2 3.9Å; F116-V130 HydrophobicContact CB-CB 4.36Å; F116-V130 HydrophobicContact CB-CG1 3.77Å; F116-V130 HydrophobicContact CD1-CG1 4.36Å; F116-V130 VanDerWaalsContact CD1-O 3.3Å; F116-V130 WeakPolarHBondContact CD1-O 3.25Å; P117-V130 WeakPolarHBondContact O-CG1 3.48Å; V118-V130 HydrophobicContact CG2-CG1 4.49Å; V118-V130 HydrophobicContact CG2-CG2 4.28Å; V130-E134 WeakPolarHBondContact CA-OE2 3.48Å
131	H	91.2	Very high	90.2	Very high	5 Å²	5	41.6 Å²	41.6	2%	0.023	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	155.6	-177.2	-65.1	76.2	0	0	0	113.1	H77 F116 C133 E134 F143	H77-H131 AromaticContact CE1-CD2 3.5Å; H77-H131 AromaticContact CE1-NE2 3.82Å; H77-H131 AromaticContact ND1-CD2 3.81Å; F116-H131 WeakPolarHBondContact CD1-O 3.45Å; H131-C133 PolarHBondContact O-N 2.79Å; H131-E134 HydrophobicContact CB-CB 4.06Å; H131-E134 HydrophobicContact CB-CG 4.03Å; H131-E134 IonicContact CG-OE2 2.7Å; H131-E134 PolarHBondContact N-OE2 2.76Å; H131-E134 IonicContact ND1-OE2 3.66Å; H131-E134 PolarHBondContact ND1-OE2 3.45Å; H131-E134 PolarHBondContact O-N 3.19Å; H131-F143 AromaticContact CE1-CD2 3.52Å; H131-F143 AromaticContact CE1-CE2 3.43Å; H131-F143 VanDerWaalsContact CE1-CE2 3.43Å; H131-F143 WeakPolarHBondContact CE1-CE2 3.18Å; H131-F143 AromaticContact NE2-CD2 3.92Å; H131-F143 AromaticContact NE2-CE2 3.42Å; H131-F143 WeakPolarHBondContact NE2-CE2 3.3Å
132	D	90.8	Very high	90.1	Very high	36 Å²	36	42.5 Å²	42.5	19%	0.193	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	122.9	170.7	177.4	36.6	0	0	0	110.5	H77 F114 F115 F116 E134	H77-D132 PolarHBondContact O-N 3.06Å; H77-D132 VanDerWaalsContact O-N 3.1Å; F114-D132 WeakPolarHBondContact CA-OD1 3.38Å; F114-D132 HydrophobicContact CD1-CB 4.12Å; F114-D132 WeakPolarHBondContact CD1-OD2 3.41Å; F115-D132 PolarHBondContact N-OD1 2.86Å; F115-D132 CarbonylContact O-C 3.6Å; F115-D132 WeakPolarHBondContact O-CA 3.41Å; F116-D132 HydrophobicContact CE1-CB 4.01Å; F116-D132 VanDerWaalsContact CE1-N 3.32Å; F116-D132 HydrophobicContact CZ-CB 4.25Å; D132-E134 PolarHBondContact O-N 3.28Å
133	C	86.8	Confident	90	Very high	24 Å²	24	45.6 Å²	45.6	16%	0.162	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	41.6	-178.6	-57.7	0	0	0	0	112.7	F115 H131 A135 F673 K674	F115-C133 PolarHBondContact O-N 2.86Å; H131-C133 PolarHBondContact O-N 2.79Å; C133-A135 PolarHBondContact O-N 3.42Å; C133-F673 HydrophobicContact CB-CB 4.02Å; C133-K674 HydrophobicContact CB-CG 4.25Å; C133-K674 WeakPolarHBondContact O-CE 3.37Å; C133-K674 WeakPolarHBondContact O-CG 3.01Å
134	E	84.1	Confident	90.3	Very high	21 Å²	21	46.5 Å²	46.5	10%	0.098	24%	0.24	C	C	.	.			trans	-50.3	130.9	-177.9	-159.3	171.6	142.8	0	0	111.6	P117 V130 H131 D132 S392 H397	P117-E134 HydrophobicContact CG-CB 3.99Å; V130-E134 WeakPolarHBondContact CA-OE2 3.48Å; H131-E134 HydrophobicContact CB-CB 4.06Å; H131-E134 HydrophobicContact CB-CG 4.03Å; H131-E134 IonicContact CG-OE2 2.7Å; H131-E134 PolarHBondContact N-OE2 2.76Å; H131-E134 IonicContact ND1-OE2 3.66Å; H131-E134 PolarHBondContact ND1-OE2 3.45Å; H131-E134 PolarHBondContact O-N 3.19Å; D132-E134 PolarHBondContact O-N 3.28Å; E134-S392 WeakPolarHBondContact OE1-CB 3.38Å; E134-S392 PolarHBondContact OE1-OG 2.94Å; E134-H397 PolarHBondContact O-CE1 2.88Å
135	A	91.5	Very high	90.6	Very high	4 Å²	4	51.8 Å²	51.8	3%	0.033	27%	0.265	C	S	.	.			trans	-173.2	94.3	172.1	0	0	0	0	0	108.7	C133 S392 P394 F495 K674	C133-A135 PolarHBondContact O-N 3.42Å; A135-S392 CarbonylContact C-O 3.47Å; A135-S392 VanDerWaalsContact CA-O 3.25Å; A135-S392 WeakPolarHBondContact CA-O 3.39Å; A135-P394 HydrophobicContact CB-CG 4.27Å; A135-F495 HydrophobicContact CB-CE1 3.64Å; A135-F495 HydrophobicContact CB-CZ 3.93Å; A135-K674 HydrophobicContact CB-CD 4.01Å; A135-K674 HydrophobicContact CB-CG 4.35Å; A135-K674 PolarHBondContact O-NZ 3.05Å
136	W	92.5	Very high	90.9	Very high	65 Å²	65	47.7 Å²	47.7	25%	0.246	24%	0.243	C	C	.	.			trans	-126	134.1	-171.4	-53.8	111.8	0	0	0	111.8	L140 R147 S392 P394	W136-L140 HydrophobicContact CE3-CB 4.01Å; W136-R147 PolarHBondContact O-NH1 3.12Å; W136-S392 PolarHBondContact N-O 3.5Å; W136-P394 VanDerWaalsContact C-CD 3.45Å; W136-P394 VanDerWaalsContact O-CD 3.22Å; W136-P394 WeakPolarHBondContact O-CD 3.21Å
137	I	95.7	Very high	91.1	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	24%	0.236	C	C	.	.			trans	-73.7	153.4	159.5	58	177.7	0	0	0	108.1	Q139 L140 E141 P394 Y496 Q502	I137-Q139 VanDerWaalsContact CB-OE1 3.31Å; I137-Q139 PolarHBondContact O-N 3.44Å; I137-L140 HydrophobicContact CD1-CD1 3.93Å; I137-L140 HydrophobicContact CD1-CG 4.09Å; I137-L140 HydrophobicContact CG1-CB 4.14Å; I137-L140 HydrophobicContact CG1-CD1 3.81Å; I137-L140 HydrophobicContact CG1-CG 3.77Å; I137-L140 PolarHBondContact O-N 2.96Å; I137-E141 PolarHBondContact O-N 3.05Å; I137-P394 HydrophobicContact CG2-CG 4.27Å; I137-Y496 HydrophobicContact CG2-CE1 3.84Å; I137-Y496 HydrophobicContact CG2-CE2 4.44Å; I137-Q502 HydrophobicContact CD1-CB 4.39Å
138	P	95.3	Very high	91.2	Very high	20 Å²	20	47.8 Å²	47.8	13%	0.13	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-55.6	-32.9	-169.9	-27.5	36.3	0	0	0	114	L140 E141 N507 E508	P138-L140 PolarHBondContact O-N 3.06Å; P138-E141 WeakPolarHBondContact O-CB 3.32Å; P138-E141 PolarHBondContact O-N 3.09Å; P138-N507 VanDerWaalsContact CB-OD1 3.28Å; P138-N507 WeakPolarHBondContact CB-OD1 3.47Å; P138-N507 WeakPolarHBondContact CG-OD1 3.32Å; P138-E508 HydrophobicContact CG-CB 4.06Å; P138-E508 HydrophobicContact CG-CG 3.72Å
139	Q	93.3	Very high	91.1	Very high	77 Å²	77	52.1 Å²	52.1	36%	0.36	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-73.9	-13.6	-177.9	-41.7	84	-6	0	0	113.7	I137 Q502 H505	I137-Q139 VanDerWaalsContact CB-OE1 3.31Å; I137-Q139 PolarHBondContact O-N 3.44Å; Q139-Q502 PolarHBondContact NE2-O 2.92Å; Q139-H505 HydrophobicContact CG-CB 4.44Å; Q139-H505 PolarHBondContact NE2-O 2.9Å
140	L	93.1	Very high	91	Very high	95 Å²	95	51.5 Å²	51.5	50%	0.497	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-111.8	3.2	179.9	-59.4	-177.6	0	0	0	112.6	W136 I137 P138 P142	W136-L140 HydrophobicContact CE3-CB 4.01Å; I137-L140 HydrophobicContact CD1-CD1 3.93Å; I137-L140 HydrophobicContact CD1-CG 4.09Å; I137-L140 HydrophobicContact CG1-CB 4.14Å; I137-L140 HydrophobicContact CG1-CD1 3.81Å; I137-L140 HydrophobicContact CG1-CG 3.77Å; I137-L140 PolarHBondContact O-N 2.96Å; P138-L140 PolarHBondContact O-N 3.06Å; L140-P142 WeakPolarHBondContact O-CD 3.16Å
141	E	90.8	Very high	90.9	Very high	22 Å²	22	52.3 Å²	52.3	10%	0.103	26%	0.263	C	S	.	.			trans	-64.5	123.4	-180	179.7	59.7	-111.3	0	0	110.8	I137 P138 F143 R147	I137-E141 PolarHBondContact O-N 3.05Å; P138-E141 WeakPolarHBondContact O-CB 3.32Å; P138-E141 PolarHBondContact O-N 3.09Å; E141-F143 VanDerWaalsContact C-N 3.28Å; E141-F143 PolarHBondContact O-N 2.97Å; E141-F143 PolarHBondContact OE1-N 2.91Å; E141-R147 HydrophobicContact CG-CB 4Å; E141-R147 HydrophobicContact CG-CG 4.49Å; E141-R147 IonicContact OE2-CZ 3.59Å; E141-R147 IonicContact OE2-NH1 3.8Å; E141-R147 PolarHBondContact OE2-NH1 2.87Å
142	P	88	Confident	90.9	Very high	58 Å²	58	55.3 Å²	55.3	38%	0.377	29%	0.285	S	S	.	.	S	Bend	trans	-63.6	-29	175.4	-26.9	36.3	0	0	0	114.7	L140	L140-P142 WeakPolarHBondContact O-CD 3.16Å
143	F	88	Confident	90.8	Very high	81 Å²	81	56.8 Å²	56.8	36%	0.355	29%	0.287	S	S	.	.			trans	-129.6	73.5	-179.2	-58.4	-78.8	0	0	0	111.8	V129 H131 E141 E145 L146 R147	V129-F143 HydrophobicContact CG1-CD2 4.29Å; V129-F143 HydrophobicContact CG1-CE2 4.05Å; H131-F143 AromaticContact CE1-CD2 3.52Å; H131-F143 AromaticContact CE1-CE2 3.43Å; H131-F143 VanDerWaalsContact CE1-CE2 3.43Å; H131-F143 WeakPolarHBondContact CE1-CE2 3.18Å; H131-F143 AromaticContact NE2-CD2 3.92Å; H131-F143 AromaticContact NE2-CE2 3.42Å; H131-F143 WeakPolarHBondContact NE2-CE2 3.3Å; E141-F143 VanDerWaalsContact C-N 3.28Å; E141-F143 PolarHBondContact O-N 2.97Å; E141-F143 PolarHBondContact OE1-N 2.91Å; F143-E145 PolarHBondContact O-N 2.96Å; F143-L146 HydrophobicContact CB-CB 4.25Å; F143-L146 HydrophobicContact CB-CD1 3.91Å; F143-L146 HydrophobicContact CB-CG 4.18Å; F143-L146 HydrophobicContact CG-CD1 4.26Å; F143-L146 PolarHBondContact O-N 2.81Å; F143-R147 PolarHBondContact O-N 3.07Å
144	P	92.1	Very high	90.8	Very high	66 Å²	66	56.3 Å²	56.3	43%	0.429	28%	0.282	S	S	.	.	H	α-helix	trans	-59	-34.4	-173.9	22.7	-33.6	0	0	0	113.2	L146 R147 E148	P144-L146 PolarHBondContact O-N 2.83Å; P144-R147 WeakPolarHBondContact O-CB 3.48Å; P144-R147 PolarHBondContact O-N 3.41Å; P144-E148 WeakPolarHBondContact O-CG 3.49Å; P144-E148 PolarHBondContact O-N 3.46Å
145	E	92.4	Very high	90.9	Very high	160 Å²	160	59.5 Å²	59.5	75%	0.748	30%	0.298	S	S	*	.	H	α-helix	trans	-62.8	-41.4	179.1	-61.2	-179.3	-167.7	0	0	112.6	F143 R147 E148 E149	F143-E145 PolarHBondContact O-N 2.96Å; E145-R147 VanDerWaalsContact C-N 3.34Å; E145-E148 PolarHBondContact O-N 3.49Å; E145-E149 PolarHBondContact O-N 2.9Å
146	L	88.4	Confident	90.6	Very high	75 Å²	75	66.4 Å²	66.4	39%	0.393	33%	0.33	S	S	.	.	H	α-helix	trans	-67.3	-37.7	177.5	-67.3	179.7	0	0	0	111.4	V129 F143 P144 E149 E150	V129-L146 HydrophobicContact CB-CD1 4.04Å; V129-L146 HydrophobicContact CG2-CD1 3.87Å; F143-L146 HydrophobicContact CB-CB 4.25Å; F143-L146 HydrophobicContact CB-CD1 3.91Å; F143-L146 HydrophobicContact CB-CG 4.18Å; F143-L146 HydrophobicContact CG-CD1 4.26Å; F143-L146 PolarHBondContact O-N 2.81Å; P144-L146 PolarHBondContact O-N 2.83Å; L146-E149 PolarHBondContact O-N 3.34Å; L146-E150 WeakPolarHBondContact O-CB 2.94Å; L146-E150 PolarHBondContact O-N 2.91Å
147	R	91.8	Very high	90.3	Very high	10 Å²	10	68.5 Å²	68.5	4%	0.038	34%	0.341	C	S	.	.	H	α-helix	trans	-64.8	-44.4	175.8	-173.5	-176.2	-172.6	84.1	16	111.4	W136 E141 F143 P144 E145 E149 E150 V151 S392 H393 E508	W136-R147 PolarHBondContact O-NH1 3.12Å; E141-R147 HydrophobicContact CG-CB 4Å; E141-R147 HydrophobicContact CG-CG 4.49Å; E141-R147 IonicContact OE2-CZ 3.59Å; E141-R147 IonicContact OE2-NH1 3.8Å; E141-R147 PolarHBondContact OE2-NH1 2.87Å; F143-R147 PolarHBondContact O-N 3.07Å; P144-R147 WeakPolarHBondContact O-CB 3.48Å; P144-R147 PolarHBondContact O-N 3.41Å; E145-R147 VanDerWaalsContact C-N 3.34Å; R147-E149 VanDerWaalsContact C-N 3.35Å; R147-E149 PolarHBondContact O-N 2.87Å; R147-E150 WeakPolarHBondContact O-CB 3.2Å; R147-E150 PolarHBondContact O-N 3Å; R147-V151 WeakPolarHBondContact O-CG2 3.35Å; R147-V151 PolarHBondContact O-N 2.75Å; R147-V151 VanDerWaalsContact O-N 3.07Å; R147-S392 PolarHBondContact NH1-OG 3.22Å; R147-H393 VanDerWaalsContact NH2-CB 3.35Å; R147-H393 PolarHBondContact NH2-CD2 3.28Å; R147-E508 IonicContact CZ-OE1 2.88Å; R147-E508 IonicContact CZ-OE2 3.61Å; R147-E508 IonicContact NE-OE1 3.27Å; R147-E508 PolarHBondContact NE-OE1 3.27Å; R147-E508 IonicContact NE-OE2 3.4Å; R147-E508 IonicContact NH2-OE1 3.65Å; R147-E508 PolarHBondContact NH2-OE1 2.89Å; R147-E508 IonicContact NH2-OE2 3.9Å; R147-E508 PolarHBondContact NH2-OE2 2.79Å
148	E	92.4	Very high	90.1	Very high	125 Å²	125	68.4 Å²	68.4	58%	0.584	34%	0.34	S	S	*	.	H	α-helix	trans	-62.8	-40.7	175.9	-75.3	179.3	-172.2	0	0	112	P144 E145 S152	P144-E148 WeakPolarHBondContact O-CG 3.49Å; P144-E148 PolarHBondContact O-N 3.46Å; E145-E148 PolarHBondContact O-N 3.49Å; E148-S152 WeakPolarHBondContact O-CB 3.42Å; E148-S152 PolarHBondContact O-N 2.98Å; E148-S152 PolarHBondContact O-OG 3.41Å
149	E	90.4	Very high	90	Very high	102 Å²	102	70.7 Å²	70.7	48%	0.477	35%	0.354	S	S	.	.	H	α-helix	trans	-63.4	-43.4	174.9	-168.2	-174.3	166.2	0	0	111.6	E145 L146 R147 S152 R153	E145-E149 PolarHBondContact O-N 2.9Å; L146-E149 PolarHBondContact O-N 3.34Å; R147-E149 VanDerWaalsContact C-N 3.35Å; R147-E149 PolarHBondContact O-N 2.87Å; E149-S152 PolarHBondContact O-N 2.8Å; E149-R153 VanDerWaalsContact O-CB 3.26Å; E149-R153 WeakPolarHBondContact O-CB 3.4Å; E149-R153 PolarHBondContact O-N 3.38Å
150	E	89	Confident	90	Very high	26 Å²	26	69 Å²	69	12%	0.121	35%	0.347	C	S	.	.	H	α-helix	trans	-56.2	-53.4	176.3	-176.7	-157.4	159.3	0	0	111.6	L146 R147 R153 R154 S390 Q391	L146-E150 WeakPolarHBondContact O-CB 2.94Å; L146-E150 PolarHBondContact O-N 2.91Å; R147-E150 WeakPolarHBondContact O-CB 3.2Å; R147-E150 PolarHBondContact O-N 3Å; E150-R153 PolarHBondContact O-N 3.41Å; E150-R154 PolarHBondContact O-N 2.94Å; E150-R154 VanDerWaalsContact O-N 3.13Å; E150-R154 IonicContact OE1-CZ 3.59Å; E150-R154 IonicContact OE1-NH1 3.94Å; E150-R154 PolarHBondContact OE1-NH1 2.92Å; E150-R154 IonicContact OE1-NH2 3.46Å; E150-R154 PolarHBondContact OE1-NH2 2.87Å; E150-S390 PolarHBondContact OE1-OG 3.04Å; E150-S390 WeakPolarHBondContact OE2-CB 3.1Å; E150-S390 PolarHBondContact OE2-OG 2.81Å; E150-Q391 WeakPolarHBondContact OE1-CB 3.44Å; E150-Q391 PolarHBondContact OE1-N 3.31Å
151	V	91.6	Very high	90.1	Very high	23 Å²	23	67.7 Å²	67.7	14%	0.139	34%	0.337	C	S	.	.	H	α-helix	trans	-64.3	-45.5	-178.4	176.3	0	0	0	0	110.4	R147 R153 R154 M155 R387	R147-V151 WeakPolarHBondContact O-CG2 3.35Å; R147-V151 PolarHBondContact O-N 2.75Å; R147-V151 VanDerWaalsContact O-N 3.07Å; V151-R153 VanDerWaalsContact C-N 3.35Å; V151-R153 PolarHBondContact O-N 3.15Å; V151-R154 PolarHBondContact O-N 3.19Å; V151-M155 PolarHBondContact O-N 3.33Å; V151-M155 VanDerWaalsContact O-N 3.07Å; V151-R387 WeakPolarHBondContact CG1-O 3.29Å
152	S	91.8	Very high	90.3	Very high	68 Å²	68	70 Å²	70	48%	0.476	35%	0.348	S	S	.	.	H	α-helix	trans	-60.3	-43.2	178.8	-62.6	0	0	0	0	112.2	E148 E149 R154 M155 H156	E148-S152 WeakPolarHBondContact O-CB 3.42Å; E148-S152 PolarHBondContact O-N 2.98Å; E148-S152 PolarHBondContact O-OG 3.41Å; E149-S152 PolarHBondContact O-N 2.8Å; S152-R154 PolarHBondContact O-N 3.39Å; S152-M155 WeakPolarHBondContact O-CB 3.41Å; S152-M155 PolarHBondContact O-N 3.27Å; S152-H156 PolarHBondContact O-ND1 2.77Å
153	R	87.3	Confident	90.5	Very high	66 Å²	66	70.6 Å²	70.6	25%	0.249	34%	0.343	C	S	.	.	H	α-helix	trans	-61.8	-43.2	176.5	178.1	176.8	56.6	-164.4	-8.3	111.4	H126 E149 E150 V151 M155 H156 F157	H126-R153 PolarHBondContact CD2-NH1 2.8Å; H126-R153 VanDerWaalsContact CD2-NH1 3.29Å; H126-R153 PolarHBondContact CE1-NH1 3.41Å; H126-R153 PolarHBondContact ND1-NH1 3.17Å; H126-R153 PolarHBondContact NE2-NH1 3.02Å; H126-R153 PolarHBondContact NE2-NH2 3.11Å; E149-R153 VanDerWaalsContact O-CB 3.26Å; E149-R153 WeakPolarHBondContact O-CB 3.4Å; E149-R153 PolarHBondContact O-N 3.38Å; E150-R153 PolarHBondContact O-N 3.41Å; V151-R153 VanDerWaalsContact C-N 3.35Å; V151-R153 PolarHBondContact O-N 3.15Å; R153-M155 VanDerWaalsContact C-N 3.33Å; R153-M155 PolarHBondContact O-N 2.79Å; R153-H156 PolarHBondContact O-N 3.15Å; R153-F157 HydrophobicContact CG-CD2 4.4Å; R153-F157 HydrophobicContact CG-CE2 3.68Å; R153-F157 HydrophobicContact CG-CZ 4.32Å
154	R	86.9	Confident	90.8	Very high	15 Å²	15	68.3 Å²	68.3	6%	0.057	34%	0.337	C	S	.	.	H	α-helix	trans	-64.7	-35.7	178.3	-75.4	-171.6	-179.5	132.7	20.9	113.1	E150 V151 S152 H156 F157 F158 R386 Q391	E150-R154 PolarHBondContact O-N 2.94Å; E150-R154 VanDerWaalsContact O-N 3.13Å; E150-R154 IonicContact OE1-CZ 3.59Å; E150-R154 IonicContact OE1-NH1 3.94Å; E150-R154 PolarHBondContact OE1-NH1 2.92Å; E150-R154 IonicContact OE1-NH2 3.46Å; E150-R154 PolarHBondContact OE1-NH2 2.87Å; V151-R154 PolarHBondContact O-N 3.19Å; S152-R154 PolarHBondContact O-N 3.39Å; R154-H156 PolarHBondContact O-N 2.82Å; R154-F157 PolarHBondContact O-N 3.46Å; R154-F158 WeakPolarHBondContact O-CD2 3.45Å; R154-F158 PolarHBondContact O-N 2.91Å; R154-R386 VanDerWaalsContact CB-O 3.25Å; R154-R386 WeakPolarHBondContact CB-O 3.42Å; R154-R386 VanDerWaalsContact CD-O 3.23Å; R154-R386 WeakPolarHBondContact CD-O 3.21Å; R154-Q391 VanDerWaalsContact NH2-CG 3.29Å
155	M	87.4	Confident	90.9	Very high	87 Å²	87	73.6 Å²	73.6	43%	0.429	35%	0.353	S	S	.	.	H	α-helix	trans	-53.7	-30.9	177	-161	-175.3	-140.9	0	0	112.8	V151 S152 R153 R387	V151-M155 PolarHBondContact O-N 3.33Å; V151-M155 VanDerWaalsContact O-N 3.07Å; S152-M155 WeakPolarHBondContact O-CB 3.41Å; S152-M155 PolarHBondContact O-N 3.27Å; R153-M155 VanDerWaalsContact C-N 3.33Å; R153-M155 PolarHBondContact O-N 2.79Å; M155-R387 PolarHBondContact O-NH1 3Å
156	H	85.2	Confident	91	Very high	150 Å²	150	67.1 Å²	67.1	69%	0.694	33%	0.329	S	S	*	.	H	α-helix	trans	-80.5	-26.2	179.4	-65.6	83.6	0	0	0	113.9	S152 R153 R154	S152-H156 PolarHBondContact O-ND1 2.77Å; R153-H156 PolarHBondContact O-N 3.15Å; R154-H156 PolarHBondContact O-N 2.82Å
157	F	86.3	Confident	91.5	Very high	109 Å²	109	63.6 Å²	63.6	48%	0.478	31%	0.311	S	S	.	.	H	α-helix	trans	-79.8	-28.8	179.5	-68	-49.8	0	0	0	112.9	R153 R154 P175	R153-F157 HydrophobicContact CG-CD2 4.4Å; R153-F157 HydrophobicContact CG-CE2 3.68Å; R153-F157 HydrophobicContact CG-CZ 4.32Å; R154-F157 PolarHBondContact O-N 3.46Å; F157-P175 HydrophobicContact CB-CB 4.44Å; F157-P175 HydrophobicContact CB-CG 4.12Å; F157-P175 WeakPolarHBondContact O-CG 3.33Å
158	F	91.6	Very high	91.7	Very high	1 Å²	1	63.1 Å²	63.1	0%	0.004	31%	0.309	C	S	.	.			trans	-104.2	92.9	-175.9	-66	-84.1	0	0	0	112.3	R154 L171 P175 E178 V383 R386 R387	R154-F158 WeakPolarHBondContact O-CD2 3.45Å; R154-F158 PolarHBondContact O-N 2.91Å; F158-L171 HydrophobicContact CD1-CD1 4.11Å; F158-P175 HydrophobicContact CD1-CG 4.17Å; F158-P175 HydrophobicContact CE1-CG 4.03Å; F158-P175 HydrophobicContact CZ-CG 4.33Å; F158-E178 HydrophobicContact CE1-CG 3.78Å; F158-E178 VanDerWaalsContact CZ-CD 3.49Å; F158-E178 HydrophobicContact CZ-CG 3.64Å; F158-E178 WeakPolarHBondContact CZ-OE1 3.45Å; F158-V383 HydrophobicContact CB-CG1 3.82Å; F158-V383 HydrophobicContact CD1-CG1 4.45Å; F158-V383 HydrophobicContact CD1-CG2 4.14Å; F158-V383 HydrophobicContact CG-CG1 4.46Å; F158-R386 HydrophobicContact CD2-CB 3.85Å; F158-R386 HydrophobicContact CE1-CB 4.2Å; F158-R386 HydrophobicContact CE1-CG 4.23Å; F158-R386 HydrophobicContact CE2-CB 3.5Å; F158-R386 VanDerWaalsContact CE2-CB 3.5Å; F158-R386 HydrophobicContact CE2-CG 4.1Å; F158-R386 HydrophobicContact CG-CB 4.37Å; F158-R386 HydrophobicContact CZ-CB 3.67Å; F158-R386 HydrophobicContact CZ-CG 3.76Å; F158-R387 HydrophobicContact CB-CG 3.81Å; F158-R387 PolarHBondContact O-NH1 3.39Å
159	T	92.3	Very high	91.9	Very high	69 Å²	69	57.7 Å²	57.7	42%	0.423	29%	0.285	S	S	.	.			trans	-95.4	122.1	177.4	-54.9	0	0	0	0	111.3	Q172	T159-Q172 VanDerWaalsContact O-CB 3.29Å; T159-Q172 WeakPolarHBondContact O-CB 3.49Å; T159-Q172 PolarHBondContact O-N 2.72Å
160	L	94	Very high	92.2	Very high	41 Å²	41	52.9 Å²	52.9	22%	0.215	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	145.8	175.3	-70.2	170.3	0	0	0	111.2	V169 E170 V383 L525	L160-V169 HydrophobicContact CD2-CG2 4.47Å; L160-E170 WeakPolarHBondContact CA-O 3.48Å; L160-V383 HydrophobicContact CD1-CG1 4.21Å; L160-V383 HydrophobicContact CD2-CB 4.07Å; L160-V383 HydrophobicContact CD2-CG1 3.56Å; L160-V383 HydrophobicContact CD2-CG2 4.43Å; L160-V383 HydrophobicContact CG-CG1 3.78Å; L160-L525 HydrophobicContact CD1-CD2 3.62Å
161	F	94.8	Very high	92.5	Very high	67 Å²	67	51.8 Å²	51.8	29%	0.294	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	164.5	171.3	85.3	-68.7	0	0	0	111.6	R163 V169 E170 L171 Q172	F161-R163 HydrophobicContact CE2-CB 4.13Å; F161-V169 WeakPolarHBondContact O-CA 3.21Å; F161-E170 HydrophobicContact CD1-CB 4.09Å; F161-E170 WeakPolarHBondContact CD1-O 3.39Å; F161-E170 HydrophobicContact CE1-CB 3.61Å; F161-E170 HydrophobicContact CZ-CB 4.19Å; F161-E170 PolarHBondContact N-O 3.33Å; F161-E170 PolarHBondContact O-N 3.46Å; F161-L171 WeakPolarHBondContact CE1-O 3.44Å; F161-Q172 HydrophobicContact CB-CB 4.42Å; F161-Q172 HydrophobicContact CD1-CB 3.78Å; F161-Q172 HydrophobicContact CD1-CG 4.33Å; F161-Q172 HydrophobicContact CE1-CB 4.44Å; F161-Q172 HydrophobicContact CG-CB 4.34Å
162	Q	94.4	Very high	92.6	Very high	71 Å²	71	56.7 Å²	56.7	33%	0.332	28%	0.278	S	S	.	.			trans	-114.5	116.5	173.9	-165.1	-176.4	59.1	0	0	110.7	S164 L167 M520	Q162-S164 WeakPolarHBondContact CG-O 3.48Å; Q162-S164 PolarHBondContact O-N 2.93Å; Q162-L167 PolarHBondContact NE2-O 3.18Å; Q162-M520 PolarHBondContact NE2-SD 3.27Å
163	R	93	Very high	92.7	Very high	71 Å²	71	60.6 Å²	60.6	27%	0.268	29%	0.289	S	S	.	.	S	Bend	trans	-59.1	-32.9	-179.4	-177.5	177.5	-59.4	-83	-2	113.7	F161 L167 E170	F161-R163 HydrophobicContact CE2-CB 4.13Å; R163-L167 HydrophobicContact CB-CD1 4.4Å; R163-E170 VanDerWaalsContact CB-OE1 3.24Å; R163-E170 WeakPolarHBondContact CB-OE1 3.21Å; R163-E170 IonicContact CZ-OE1 2.69Å; R163-E170 IonicContact CZ-OE2 3.21Å; R163-E170 IonicContact NE-OE1 3.48Å; R163-E170 PolarHBondContact NE-OE1 3.05Å; R163-E170 IonicContact NE-OE2 2.96Å; R163-E170 PolarHBondContact NE-OE2 2.75Å; R163-E170 IonicContact NH2-OE1 3.9Å; R163-E170 IonicContact NH2-OE2 2.89Å; R163-E170 PolarHBondContact NH2-OE2 3.31Å
164	S	93.6	Very high	93.1	Very high	33 Å²	33	58.5 Å²	58.5	23%	0.231	28%	0.283	C	S	.	.	S	Bend	trans	-163.7	149	174.7	-59.7	0	0	0	0	109.8	Q162 G166 L167 K435	Q162-S164 WeakPolarHBondContact CG-O 3.48Å; Q162-S164 PolarHBondContact O-N 2.93Å; S164-G166 PolarHBondContact O-N 2.93Å; S164-L167 WeakPolarHBondContact O-CB 3.26Å; S164-L167 PolarHBondContact O-N 3.41Å; S164-K435 PolarHBondContact OG-NZ 3.35Å
165	K	94.3	Very high	93.2	Very high	176 Å²	176	58.2 Å²	58.2	77%	0.765	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.5	126	-180	-169.5	171	-176.6	170.6	0	113.2	L167 R439	K165-L167 VanDerWaalsContact C-N 3.35Å; K165-R439 PolarHBondContact O-NE 3Å; K165-R439 PolarHBondContact O-NH2 3.47Å; K165-R439 VanDerWaalsContact O-NH2 3.14Å
166	G	95	Very high	93.1	Very high	24 Å²	24	59.5 Å²	59.5	25%	0.247	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	8.4	177.2	0	0	0	0	0	115.4	S164	S164-G166 PolarHBondContact O-N 2.93Å
167	L	97.5	Very high	92.9	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	28%	0.277	C	S	.	.	S	Bend	trans	-86.5	158.7	164.5	-64	-176.7	0	0	0	109.9	Q162 R163 S164 K165 K435 L438 R439	Q162-L167 PolarHBondContact NE2-O 3.18Å; R163-L167 HydrophobicContact CB-CD1 4.4Å; S164-L167 WeakPolarHBondContact O-CB 3.26Å; S164-L167 PolarHBondContact O-N 3.41Å; K165-L167 VanDerWaalsContact C-N 3.35Å; L167-K435 HydrophobicContact CD1-CB 4.45Å; L167-K435 HydrophobicContact CD1-CD 4.49Å; L167-K435 HydrophobicContact CD1-CG 4.15Å; L167-K435 WeakPolarHBondContact CD2-O 3.48Å; L167-L438 HydrophobicContact CD2-CB 3.55Å; L167-L438 HydrophobicContact CD2-CD1 4.45Å; L167-R439 HydrophobicContact CD2-CB 4Å
168	P	97.3	Very high	93	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-52	150.2	169.4	-20.9	29.5	0	0	0	111.5	L373 L376 F442	P168-L373 HydrophobicContact CG-CD1 3.38Å; P168-L376 HydrophobicContact CB-CB 4.13Å; P168-L376 HydrophobicContact CG-CB 4.33Å; P168-L376 HydrophobicContact CG-CD1 4.33Å; P168-F442 HydrophobicContact CB-CD2 4.41Å; P168-F442 HydrophobicContact CB-CE2 4.23Å; P168-F442 HydrophobicContact CB-CZ 4.3Å; P168-F442 HydrophobicContact CG-CB 4.26Å; P168-F442 HydrophobicContact CG-CD1 4.18Å; P168-F442 HydrophobicContact CG-CD2 3.76Å; P168-F442 HydrophobicContact CG-CE1 4.48Å; P168-F442 HydrophobicContact CG-CE2 4.07Å; P168-F442 HydrophobicContact CG-CG 3.8Å; P168-F442 HydrophobicContact CG-CZ 4.42Å
169	V	97.1	Very high	92.9	Very high	11 Å²	11	52.5 Å²	52.5	7%	0.067	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-69.1	146.2	167.3	-64.1	0	0	0	0	109.7	L160 F161 M520 L525	L160-V169 HydrophobicContact CD2-CG2 4.47Å; F161-V169 WeakPolarHBondContact O-CA 3.21Å; V169-M520 HydrophobicContact CG1-CB 4.39Å; V169-M520 HydrophobicContact CG1-CG 3.92Å; V169-M520 HydrophobicContact CG1-SD 4.02Å; V169-L525 HydrophobicContact CG2-CB 4.09Å; V169-L525 HydrophobicContact CG2-CD2 3.53Å; V169-L525 HydrophobicContact CG2-CG 4.35Å
170	E	96.1	Very high	92.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	156.5	-175.3	-53.6	-177.1	-149.7	0	0	109	L160 F161 R163 Q172 L376 K414	L160-E170 WeakPolarHBondContact CA-O 3.48Å; F161-E170 HydrophobicContact CD1-CB 4.09Å; F161-E170 WeakPolarHBondContact CD1-O 3.39Å; F161-E170 HydrophobicContact CE1-CB 3.61Å; F161-E170 HydrophobicContact CZ-CB 4.19Å; F161-E170 PolarHBondContact N-O 3.33Å; F161-E170 PolarHBondContact O-N 3.46Å; R163-E170 VanDerWaalsContact CB-OE1 3.24Å; R163-E170 WeakPolarHBondContact CB-OE1 3.21Å; R163-E170 IonicContact CZ-OE1 2.69Å; R163-E170 IonicContact CZ-OE2 3.21Å; R163-E170 IonicContact NE-OE1 3.48Å; R163-E170 PolarHBondContact NE-OE1 3.05Å; R163-E170 IonicContact NE-OE2 2.96Å; R163-E170 PolarHBondContact NE-OE2 2.75Å; R163-E170 IonicContact NH2-OE1 3.9Å; R163-E170 IonicContact NH2-OE2 2.89Å; R163-E170 PolarHBondContact NH2-OE2 3.31Å; E170-Q172 PolarHBondContact O-N 3.32Å; E170-L376 HydrophobicContact CG-CD2 4.04Å; E170-K414 VanDerWaalsContact OE2-CD 3.24Å; E170-K414 WeakPolarHBondContact OE2-CD 3.45Å
171	L	95.7	Very high	92.5	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	128.4	167.9	-177.7	58	0	0	0	109.8	F158 F161 E173 I174 E379 V383 L407	F158-L171 HydrophobicContact CD1-CD1 4.11Å; F161-L171 WeakPolarHBondContact CE1-O 3.44Å; L171-E173 WeakPolarHBondContact CD1-O 3.39Å; L171-E173 WeakPolarHBondContact CG-O 3.35Å; L171-I174 HydrophobicContact CD2-CB 4.47Å; L171-I174 HydrophobicContact CD2-CG1 3.99Å; L171-E379 HydrophobicContact CB-CG 4.05Å; L171-E379 PolarHBondContact N-OE2 3.18Å; L171-V383 HydrophobicContact CB-CG2 3.96Å; L171-V383 HydrophobicContact CD1-CG2 3.83Å; L171-V383 HydrophobicContact CD2-CG2 4.08Å; L171-V383 HydrophobicContact CG-CG2 4.17Å; L171-L407 HydrophobicContact CD2-CD1 3.83Å; L171-L407 HydrophobicContact CD2-CD2 3.74Å; L171-L407 HydrophobicContact CD2-CG 4.42Å
172	Q	94.2	Very high	92.2	Very high	125 Å²	125	51.1 Å²	51.1	58%	0.584	27%	0.274	S	S	*	.	S	Bend	trans	-66.3	-52.5	-178.2	-176.5	174.3	2.6	0	0	112.2	T159 F161 E170	T159-Q172 VanDerWaalsContact O-CB 3.29Å; T159-Q172 WeakPolarHBondContact O-CB 3.49Å; T159-Q172 PolarHBondContact O-N 2.72Å; F161-Q172 HydrophobicContact CB-CB 4.42Å; F161-Q172 HydrophobicContact CD1-CB 3.78Å; F161-Q172 HydrophobicContact CD1-CG 4.33Å; F161-Q172 HydrophobicContact CE1-CB 4.44Å; F161-Q172 HydrophobicContact CG-CB 4.34Å; E170-Q172 PolarHBondContact O-N 3.32Å
173	E	93.6	Very high	92	Very high	151 Å²	151	48.3 Å²	48.3	71%	0.706	26%	0.261	S	S	*	.	S	Bend	trans	-143.3	140.5	177.8	-174.5	169.5	-169.7	0	0	108.4	L171 P175	L171-E173 WeakPolarHBondContact CD1-O 3.39Å; L171-E173 WeakPolarHBondContact CG-O 3.35Å; E173-P175 WeakPolarHBondContact O-CD 3.47Å
174	I	94.4	Very high	91.9	Very high	21 Å²	21	49.1 Å²	49.1	11%	0.108	28%	0.278	C	S	.	.			trans	-77	120.3	176.2	-59.8	172.1	0	0	0	107.7	L171 E178 L179 L407 K411	L171-I174 HydrophobicContact CD2-CB 4.47Å; L171-I174 HydrophobicContact CD2-CG1 3.99Å; I174-E178 HydrophobicContact CG2-CB 3.76Å; I174-L179 HydrophobicContact CB-CD1 4.44Å; I174-L179 HydrophobicContact CD1-CD2 4.28Å; I174-L179 HydrophobicContact CG2-CD1 4.08Å; I174-L179 HydrophobicContact CG2-CD2 3.82Å; I174-L179 HydrophobicContact CG2-CG 3.65Å; I174-L407 HydrophobicContact CD1-CB 3.91Å; I174-L407 HydrophobicContact CG1-CB 4.21Å; I174-L407 HydrophobicContact CG2-CB 4.34Å; I174-L407 HydrophobicContact CG2-CD1 3.92Å; I174-K411 HydrophobicContact CD1-CB 3.9Å; I174-K411 HydrophobicContact CD1-CD 3.84Å; I174-K411 HydrophobicContact CD1-CG 4.46Å
175	P	90	Very high	91.8	Very high	10 Å²	10	50.7 Å²	50.7	7%	0.065	28%	0.278	C	S	.	.			trans	-57.8	141.9	174.5	-22.5	33.4	0	0	0	110.6	F157 F158 E173 S177 E178	F157-P175 HydrophobicContact CB-CB 4.44Å; F157-P175 HydrophobicContact CB-CG 4.12Å; F157-P175 WeakPolarHBondContact O-CG 3.33Å; F158-P175 HydrophobicContact CD1-CG 4.17Å; F158-P175 HydrophobicContact CE1-CG 4.03Å; F158-P175 HydrophobicContact CZ-CG 4.33Å; E173-P175 WeakPolarHBondContact O-CD 3.47Å; P175-S177 PolarHBondContact O-N 3.24Å; P175-S177 VanDerWaalsContact O-N 3.12Å; P175-E178 HydrophobicContact CB-CG 4.07Å; P175-E178 HydrophobicContact CG-CG 4.09Å; P175-E178 WeakPolarHBondContact O-CB 3.22Å; P175-E178 PolarHBondContact O-N 3.36Å
176	P	84.2	Confident	91.6	Very high	114 Å²	114	42.3 Å²	42.3	74%	0.74	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-54.8	-32.1	175.3	-27.9	35.6	0	0	0	113.1	E178 L179	P176-E178 PolarHBondContact O-N 3.28Å; P176-L179 PolarHBondContact O-N 2.91Å
177	S	82.2	Confident	91.4	Very high	38 Å²	38	44.4 Å²	44.4	27%	0.266	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-70.5	13.9	173.1	55	0	0	0	0	114.7	W121 P175	W121-S177 VanDerWaalsContact CD1-CA 3.41Å; W121-S177 VanDerWaalsContact NE1-C 3.25Å; W121-S177 PolarHBondContact NE1-O 3.17Å; P175-S177 PolarHBondContact O-N 3.24Å; P175-S177 VanDerWaalsContact O-N 3.12Å
178	E	88.2	Confident	91.2	Very high	16 Å²	16	44.6 Å²	44.6	8%	0.075	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-124.7	-1.2	174.3	-63.7	-60.7	131.1	0	0	113	F158 I174 P175 P176 Y382 R386 L407	F158-E178 HydrophobicContact CE1-CG 3.78Å; F158-E178 VanDerWaalsContact CZ-CD 3.49Å; F158-E178 HydrophobicContact CZ-CG 3.64Å; F158-E178 WeakPolarHBondContact CZ-OE1 3.45Å; I174-E178 HydrophobicContact CG2-CB 3.76Å; P175-E178 HydrophobicContact CB-CG 4.07Å; P175-E178 HydrophobicContact CG-CG 4.09Å; P175-E178 WeakPolarHBondContact O-CB 3.22Å; P175-E178 PolarHBondContact O-N 3.36Å; P176-E178 PolarHBondContact O-N 3.28Å; E178-Y382 PolarHBondContact OE2-OH 3.01Å; E178-R386 IonicContact OE1-CZ 3.71Å; E178-R386 IonicContact OE1-NH1 3.31Å; E178-R386 PolarHBondContact OE1-NH1 2.98Å; E178-R386 IonicContact OE1-NH2 2.74Å; E178-R386 PolarHBondContact OE1-NH2 2.96Å; E178-R386 IonicContact OE2-CZ 3.29Å; E178-R386 IonicContact OE2-NH1 2.8Å; E178-R386 PolarHBondContact OE2-NH1 3.48Å; E178-L407 HydrophobicContact CB-CD1 3.88Å; E178-L407 HydrophobicContact CG-CD1 4.14Å
179	L	88.4	Confident	91.1	Very high	59 Å²	59	47.5 Å²	47.5	31%	0.309	26%	0.262	S	S	.	.			trans	-112.2	123.2	-176.7	-69.1	173.2	0	0	0	110.3	W121 I174 P176 P408	W121-L179 WeakPolarHBondContact CZ2-O 3.28Å; I174-L179 HydrophobicContact CB-CD1 4.44Å; I174-L179 HydrophobicContact CD1-CD2 4.28Å; I174-L179 HydrophobicContact CG2-CD1 4.08Å; I174-L179 HydrophobicContact CG2-CD2 3.82Å; I174-L179 HydrophobicContact CG2-CG 3.65Å; P176-L179 PolarHBondContact O-N 2.91Å; L179-P408 HydrophobicContact CD2-CB 4.37Å
180	F	90.5	Very high	90.9	Very high	28 Å²	28	50.7 Å²	50.7	12%	0.123	28%	0.283	C	S	.	.			trans	-91.9	148.9	171.3	-69.2	-110.6	0	0	0	109.8	D18 F94 W121 S182 D183 R404	D18-F180 HydrophobicContact CB-CD1 3.72Å; D18-F180 HydrophobicContact CB-CE1 4.2Å; D18-F180 WeakPolarHBondContact OD2-CA 3.3Å; D18-F180 WeakPolarHBondContact OD2-CB 3.41Å; F94-F180 HydrophobicContact CB-CE1 4.18Å; F94-F180 AromaticContact CD1-CE1 3.75Å; F94-F180 HydrophobicContact CD1-CE1 3.75Å; F94-F180 AromaticContact CD1-CZ 3.96Å; F94-F180 HydrophobicContact CD1-CZ 3.96Å; F94-F180 HydrophobicContact CD2-CE1 4.08Å; F94-F180 AromaticContact CD2-CZ 3.68Å; F94-F180 HydrophobicContact CD2-CZ 3.68Å; F94-F180 HydrophobicContact CE1-CE1 4.09Å; F94-F180 AromaticContact CE1-CZ 3.94Å; F94-F180 HydrophobicContact CE1-CZ 3.94Å; F94-F180 HydrophobicContact CE2-CE1 4.4Å; F94-F180 HydrophobicContact CE2-CE2 4.48Å; F94-F180 AromaticContact CE2-CZ 3.66Å; F94-F180 HydrophobicContact CE2-CZ 3.66Å; F94-F180 AromaticContact CG-CE1 3.72Å; F94-F180 HydrophobicContact CG-CE1 3.72Å; F94-F180 AromaticContact CG-CZ 3.81Å; F94-F180 HydrophobicContact CG-CZ 3.81Å; F94-F180 HydrophobicContact CZ-CE1 4.39Å; F94-F180 AromaticContact CZ-CZ 3.78Å; F94-F180 HydrophobicContact CZ-CZ 3.78Å; W121-F180 HydrophobicContact CZ2-CD1 4.36Å; W121-F180 HydrophobicContact CZ2-CD2 4.32Å; W121-F180 HydrophobicContact CZ2-CE2 4.49Å; W121-F180 HydrophobicContact CZ2-CG 4.24Å; F180-S182 PolarHBondContact O-N 3.05Å; F180-D183 PolarHBondContact N-OD2 2.9Å; F180-D183 VanDerWaalsContact O-CB 3.25Å; F180-D183 WeakPolarHBondContact O-CB 3.45Å; F180-D183 PolarHBondContact O-N 3.11Å; F180-R404 VanDerWaalsContact CB-NH2 3.26Å; F180-R404 VanDerWaalsContact CD2-NH1 3.34Å; F180-R404 VanDerWaalsContact CG-CZ 3.49Å
181	S	89.1	Confident	90.8	Very high	75 Å²	75	54.2 Å²	54.2	52%	0.524	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-50.6	-40	171.2	62.2	0	0	0	0	111.7	D18 D183 S184	D18-S181 VanDerWaalsContact CG-OG 3.25Å; D18-S181 WeakPolarHBondContact OD1-CB 3.36Å; D18-S181 PolarHBondContact OD1-OG 3.26Å; D18-S181 PolarHBondContact OD2-N 2.83Å; D18-S181 PolarHBondContact OD2-OG 3.04Å; S181-D183 PolarHBondContact O-N 3.49Å; S181-S184 WeakPolarHBondContact O-CB 3.31Å; S181-S184 PolarHBondContact O-N 3.3Å; S181-S184 PolarHBondContact O-OG 2.91Å
182	S	87.8	Confident	90.8	Very high	45 Å²	45	54 Å²	54	32%	0.315	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-67	-16.4	176.8	61.8	0	0	0	0	114.5	F180 S184 R185 R404	F180-S182 PolarHBondContact O-N 3.05Å; S182-S184 PolarHBondContact O-N 2.97Å; S182-R185 VanDerWaalsContact O-CB 3.3Å; S182-R185 WeakPolarHBondContact O-CB 3.39Å; S182-R185 WeakPolarHBondContact O-CD 3.44Å; S182-R185 WeakPolarHBondContact O-CG 3.21Å; S182-R185 PolarHBondContact O-N 2.91Å; S182-R185 VanDerWaalsContact O-N 3.11Å; S182-R185 PolarHBondContact OG-NH1 2.65Å; S182-R404 PolarHBondContact OG-NH2 3.36Å
183	D	90.1	Very high	90.8	Very high	12 Å²	12	51.8 Å²	51.8	6%	0.064	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-69.4	-14	177.9	-65.7	-35.1	0	0	0	112.5	F180 S181 R185 W186 R404 P408	F180-D183 PolarHBondContact N-OD2 2.9Å; F180-D183 VanDerWaalsContact O-CB 3.25Å; F180-D183 WeakPolarHBondContact O-CB 3.45Å; F180-D183 PolarHBondContact O-N 3.11Å; S181-D183 PolarHBondContact O-N 3.49Å; D183-R185 PolarHBondContact O-N 3.4Å; D183-R185 VanDerWaalsContact O-N 3.14Å; D183-W186 WeakPolarHBondContact O-CB 2.96Å; D183-W186 PolarHBondContact O-N 3.46Å; D183-W186 VanDerWaalsContact O-N 3.12Å; D183-R404 IonicContact OD1-CZ 2.72Å; D183-R404 IonicContact OD1-NH1 2.66Å; D183-R404 PolarHBondContact OD1-NH1 3.19Å; D183-R404 IonicContact OD1-NH2 2.92Å; D183-R404 IonicContact OD2-NH1 3.72Å; D183-P408 HydrophobicContact CB-CB 3.86Å; D183-P408 HydrophobicContact CB-CG 3.97Å
184	S	90.1	Very high	90.9	Very high	87 Å²	87	49.2 Å²	49.2	61%	0.608	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-56.6	-23	167.8	58.3	0	0	0	0	113.2	S181 S182 W186 D187	S181-S184 WeakPolarHBondContact O-CB 3.31Å; S181-S184 PolarHBondContact O-N 3.3Å; S181-S184 PolarHBondContact O-OG 2.91Å; S182-S184 PolarHBondContact O-N 2.97Å; S184-W186 PolarHBondContact O-N 3.47Å; S184-D187 WeakPolarHBondContact O-CB 3.29Å; S184-D187 PolarHBondContact O-N 3.31Å
185	R	91.1	Very high	90.9	Very high	66 Å²	66	49.1 Å²	49.1	25%	0.249	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-56.8	-22.4	174	74.1	-165.5	169.6	-150.1	4.2	114.2	S182 D183 D187 V659	S182-R185 VanDerWaalsContact O-CB 3.3Å; S182-R185 WeakPolarHBondContact O-CB 3.39Å; S182-R185 WeakPolarHBondContact O-CD 3.44Å; S182-R185 WeakPolarHBondContact O-CG 3.21Å; S182-R185 PolarHBondContact O-N 2.91Å; S182-R185 VanDerWaalsContact O-N 3.11Å; S182-R185 PolarHBondContact OG-NH1 2.65Å; D183-R185 PolarHBondContact O-N 3.4Å; D183-R185 VanDerWaalsContact O-N 3.14Å; R185-D187 VanDerWaalsContact C-N 3.26Å; R185-V659 HydrophobicContact CB-CG1 4.32Å; R185-V659 HydrophobicContact CG-CG1 4.07Å
186	W	91.1	Very high	91.1	Very high	1 Å²	1	49 Å²	49	0%	0.004	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-79.2	-11.1	177.8	-56.5	119	0	0	0	112.7	D183 S184 I188 V409 K412 V659 Y719 I722	D183-W186 WeakPolarHBondContact O-CB 2.96Å; D183-W186 PolarHBondContact O-N 3.46Å; D183-W186 VanDerWaalsContact O-N 3.12Å; S184-W186 PolarHBondContact O-N 3.47Å; W186-I188 PolarHBondContact O-N 3.07Å; W186-V409 HydrophobicContact CD2-CG2 3.65Å; W186-V409 HydrophobicContact CE3-CG2 4.01Å; W186-V409 HydrophobicContact CG-CG2 4.01Å; W186-V409 HydrophobicContact CH2-CG2 4.38Å; W186-V409 HydrophobicContact CZ2-CG2 4.08Å; W186-V409 HydrophobicContact CZ3-CG2 4.35Å; W186-K412 HydrophobicContact CB-CG 4.34Å; W186-V659 HydrophobicContact CE3-CG1 3.86Å; W186-V659 HydrophobicContact CH2-CG1 4.36Å; W186-V659 HydrophobicContact CZ3-CB 4.19Å; W186-V659 HydrophobicContact CZ3-CG1 3.69Å; W186-Y719 HydrophobicContact CH2-CE2 4.36Å; W186-Y719 HydrophobicContact CZ2-CE2 4.14Å; W186-I722 HydrophobicContact CB-CG2 3.86Å; W186-I722 HydrophobicContact CD2-CG2 4.14Å; W186-I722 HydrophobicContact CE3-CB 4.12Å; W186-I722 HydrophobicContact CE3-CD1 4.14Å; W186-I722 HydrophobicContact CE3-CG1 3.76Å; W186-I722 HydrophobicContact CE3-CG2 3.61Å; W186-I722 HydrophobicContact CG-CG2 4.28Å; W186-I722 HydrophobicContact CZ3-CG1 4.14Å; W186-I722 HydrophobicContact CZ3-CG2 4.46Å
187	D	91.6	Very high	91.6	Very high	67 Å²	67	51.3 Å²	51.3	36%	0.358	28%	0.28	S	S	.	.			trans	-89	80.7	175.7	-157.8	11.7	0	0	0	111.5	S184 R185 P190 K412	S184-D187 WeakPolarHBondContact O-CB 3.29Å; S184-D187 PolarHBondContact O-N 3.31Å; R185-D187 VanDerWaalsContact C-N 3.26Å; D187-P190 WeakPolarHBondContact O-CD 2.95Å; D187-K412 IonicContact OD1-NZ 2.99Å; D187-K412 PolarHBondContact OD1-NZ 2.85Å; D187-K412 IonicContact OD2-NZ 3.7Å; D187-K412 PolarHBondContact OD2-NZ 3.42Å
188	I	93.3	Very high	92.1	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.026	30%	0.3	C	S	.	.			trans	-85.8	-6	-173.3	60	164.7	0	0	0	114.8	W186 L191 V192 W416 Y652 L655 A656 V659 I722	W186-I188 PolarHBondContact O-N 3.07Å; I188-L191 WeakPolarHBondContact O-CB 3.28Å; I188-L191 PolarHBondContact O-N 3.5Å; I188-L191 VanDerWaalsContact O-N 3.17Å; I188-V192 WeakPolarHBondContact O-CG2 3.46Å; I188-V192 PolarHBondContact O-N 3.26Å; I188-W416 HydrophobicContact CD1-CH2 3.84Å; I188-W416 HydrophobicContact CD1-CZ2 4.04Å; I188-W416 HydrophobicContact CG1-CH2 3.98Å; I188-W416 HydrophobicContact CG1-CZ2 3.69Å; I188-Y652 HydrophobicContact CD1-CD1 3.84Å; I188-Y652 HydrophobicContact CG1-CD1 4.17Å; I188-Y652 HydrophobicContact CG1-CE1 4.36Å; I188-L655 HydrophobicContact CD1-CB 4.23Å; I188-A656 HydrophobicContact CD1-CB 4Å; I188-V659 HydrophobicContact CG2-CG2 3.7Å; I188-I722 HydrophobicContact CB-CD1 4.27Å; I188-I722 HydrophobicContact CD1-CD1 3.86Å; I188-I722 HydrophobicContact CG1-CD1 3.9Å; I188-I722 HydrophobicContact CG2-CD1 3.41Å; I188-I722 VanDerWaalsContact CG2-CD1 3.41Å
189	E	93.3	Very high	92.3	Very high	62 Å²	62	59.5 Å²	59.5	29%	0.29	31%	0.309	S	S	.	.	H	α-helix	trans	-60.8	-44.3	-177.6	177	160.9	-158.6	0	0	113.3	L191 V192 L193 Y652	E189-L191 VanDerWaalsContact C-N 3.28Å; E189-L191 PolarHBondContact O-N 2.96Å; E189-V192 WeakPolarHBondContact O-CB 3.45Å; E189-V192 PolarHBondContact O-N 3.18Å; E189-V192 VanDerWaalsContact O-N 3.14Å; E189-L193 HydrophobicContact CG-CD1 4.48Å; E189-L193 WeakPolarHBondContact O-CG 3.33Å; E189-L193 PolarHBondContact O-N 2.84Å; E189-Y652 HydrophobicContact CB-CE1 4.37Å; E189-Y652 VanDerWaalsContact CG-OH 3.3Å; E189-Y652 WeakPolarHBondContact CG-OH 3.46Å; E189-Y652 PolarHBondContact OE1-OH 3.19Å
190	P	94.3	Very high	92.5	Very high	79 Å²	79	58.7 Å²	58.7	51%	0.513	32%	0.316	S	S	.	.	H	α-helix	trans	-56.3	-41.4	172.5	-26	35.7	0	0	0	113	D187 L193 E194	D187-P190 WeakPolarHBondContact O-CD 2.95Å; P190-L193 PolarHBondContact O-N 3.4Å; P190-E194 PolarHBondContact O-N 3.43Å
191	L	93.3	Very high	92.7	Very high	74 Å²	74	57.4 Å²	57.4	39%	0.387	31%	0.31	S	S	.	.	H	α-helix	trans	-67.7	-36.8	177.6	-178.5	63.1	0	0	0	112.1	I188 E189 L193 E194 V195 L655	I188-L191 WeakPolarHBondContact O-CB 3.28Å; I188-L191 PolarHBondContact O-N 3.5Å; I188-L191 VanDerWaalsContact O-N 3.17Å; E189-L191 VanDerWaalsContact C-N 3.28Å; E189-L191 PolarHBondContact O-N 2.96Å; L191-L193 VanDerWaalsContact C-N 3.35Å; L191-E194 PolarHBondContact O-N 2.62Å; L191-V195 VanDerWaalsContact O-CG2 3.3Å; L191-V195 WeakPolarHBondContact O-CG2 3.39Å; L191-V195 PolarHBondContact O-N 2.9Å; L191-L655 HydrophobicContact CD2-CD1 4.46Å; L191-L655 HydrophobicContact CD2-CD2 4.09Å; L191-L655 HydrophobicContact CG-CD1 4.18Å; L191-L655 HydrophobicContact CG-CD2 4.42Å
192	V	95	Very high	92.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59	-48.4	173.1	170.2	0	0	0	0	110	I188 E189 V195 I196 L651 Y652 L655	I188-V192 WeakPolarHBondContact O-CG2 3.46Å; I188-V192 PolarHBondContact O-N 3.26Å; E189-V192 WeakPolarHBondContact O-CB 3.45Å; E189-V192 PolarHBondContact O-N 3.18Å; E189-V192 VanDerWaalsContact O-N 3.14Å; V192-V195 PolarHBondContact O-N 2.93Å; V192-I196 HydrophobicContact CG1-CD1 3.82Å; V192-I196 VanDerWaalsContact O-CG1 3.31Å; V192-I196 WeakPolarHBondContact O-CG1 3.27Å; V192-I196 PolarHBondContact O-N 2.74Å; V192-L651 HydrophobicContact CG1-CB 4.05Å; V192-L651 HydrophobicContact CG1-CD1 4.07Å; V192-L651 HydrophobicContact CG2-CB 4.49Å; V192-Y652 HydrophobicContact CB-CE2 4.44Å; V192-Y652 HydrophobicContact CG1-CD2 4.29Å; V192-Y652 HydrophobicContact CG1-CE2 3.94Å; V192-Y652 HydrophobicContact CG2-CD1 4.1Å; V192-Y652 HydrophobicContact CG2-CD2 4.15Å; V192-Y652 HydrophobicContact CG2-CE1 4.07Å; V192-Y652 HydrophobicContact CG2-CE2 4.12Å; V192-Y652 HydrophobicContact CG2-CG 4.16Å; V192-L655 HydrophobicContact CB-CD1 4.25Å; V192-L655 HydrophobicContact CG2-CD1 3.58Å
193	L	95.1	Very high	93.2	Very high	77 Å²	77	60.8 Å²	60.8	40%	0.403	32%	0.321	S	S	.	.	H	α-helix	trans	-64.5	-41.5	-180	-64.5	175.4	0	0	0	112	E189 P190 L191 V195 I196 E197 Y205	E189-L193 HydrophobicContact CG-CD1 4.48Å; E189-L193 WeakPolarHBondContact O-CG 3.33Å; E189-L193 PolarHBondContact O-N 2.84Å; P190-L193 PolarHBondContact O-N 3.4Å; L191-L193 VanDerWaalsContact C-N 3.35Å; L193-V195 VanDerWaalsContact C-N 3.34Å; L193-V195 PolarHBondContact O-N 2.67Å; L193-I196 HydrophobicContact CD2-CD1 4.35Å; L193-I196 WeakPolarHBondContact O-CB 3.27Å; L193-I196 PolarHBondContact O-N 3.19Å; L193-E197 PolarHBondContact O-N 3.45Å; L193-Y205 HydrophobicContact CD2-CE1 4.02Å
194	E	94.9	Very high	93.4	Very high	97 Å²	97	60.5 Å²	60.5	45%	0.453	32%	0.319	S	S	.	.	H	α-helix	trans	-59	-45.1	173.7	-172	-160	144.4	0	0	111.5	P190 L191 I196 E197 R198	P190-E194 PolarHBondContact O-N 3.43Å; L191-E194 PolarHBondContact O-N 2.62Å; E194-I196 VanDerWaalsContact C-N 3.32Å; E194-I196 PolarHBondContact O-N 3.06Å; E194-E197 PolarHBondContact O-N 3.09Å; E194-R198 WeakPolarHBondContact O-CB 3.39Å; E194-R198 PolarHBondContact O-N 2.82Å; E194-R198 IonicContact OE1-NH1 2.85Å
195	V	94.1	Very high	93.7	Very high	19 Å²	19	58.2 Å²	58.2	12%	0.115	30%	0.298	C	S	.	.	H	α-helix	trans	-63	-40.8	177.4	169.2	0	0	0	0	111	L191 V192 L193 E197 R198 T199 L651 L655	L191-V195 VanDerWaalsContact O-CG2 3.3Å; L191-V195 WeakPolarHBondContact O-CG2 3.39Å; L191-V195 PolarHBondContact O-N 2.9Å; V192-V195 PolarHBondContact O-N 2.93Å; L193-V195 VanDerWaalsContact C-N 3.34Å; L193-V195 PolarHBondContact O-N 2.67Å; V195-E197 VanDerWaalsContact C-N 3.35Å; V195-E197 PolarHBondContact O-N 2.8Å; V195-R198 PolarHBondContact O-N 2.94Å; V195-T199 HydrophobicContact CG1-CG2 4.14Å; V195-T199 WeakPolarHBondContact O-CB 3.32Å; V195-T199 WeakPolarHBondContact O-CG2 3.13Å; V195-T199 PolarHBondContact O-N 3.26Å; V195-T199 PolarHBondContact O-OG1 3.43Å; V195-L651 HydrophobicContact CG1-CD1 4.41Å; V195-L651 HydrophobicContact CG1-CD2 3.96Å; V195-L655 HydrophobicContact CG2-CD1 4.35Å
196	I	95.3	Very high	93.9	Very high	9 Å²	9	60.1 Å²	60.1	5%	0.046	32%	0.317	C	S	.	.	H	α-helix	trans	-59.1	-48	177.7	-72.1	162.1	0	0	0	110.7	V192 L193 E194 G200 L201 A202 Y205 V647 L651	V192-I196 HydrophobicContact CG1-CD1 3.82Å; V192-I196 VanDerWaalsContact O-CG1 3.31Å; V192-I196 WeakPolarHBondContact O-CG1 3.27Å; V192-I196 PolarHBondContact O-N 2.74Å; L193-I196 HydrophobicContact CD2-CD1 4.35Å; L193-I196 WeakPolarHBondContact O-CB 3.27Å; L193-I196 PolarHBondContact O-N 3.19Å; E194-I196 VanDerWaalsContact C-N 3.32Å; E194-I196 PolarHBondContact O-N 3.06Å; I196-G200 PolarHBondContact O-N 3.1Å; I196-L201 HydrophobicContact CB-CB 4.36Å; I196-L201 HydrophobicContact CG1-CB 4.38Å; I196-L201 HydrophobicContact CG2-CB 4.04Å; I196-L201 PolarHBondContact O-N 3.37Å; I196-A202 HydrophobicContact CG2-CB 4.38Å; I196-Y205 HydrophobicContact CD1-CD1 3.83Å; I196-Y205 HydrophobicContact CD1-CD2 3.6Å; I196-Y205 HydrophobicContact CD1-CE1 3.96Å; I196-Y205 HydrophobicContact CD1-CE2 3.73Å; I196-Y205 HydrophobicContact CD1-CG 3.65Å; I196-Y205 HydrophobicContact CG1-CG 4.44Å; I196-Y205 HydrophobicContact CG2-CD1 4.19Å; I196-Y205 HydrophobicContact CG2-CG 4.22Å; I196-V647 HydrophobicContact CD1-CG1 4.3Å; I196-V647 HydrophobicContact CG1-CG1 4.18Å; I196-L651 HydrophobicContact CD1-CD1 3.94Å; I196-L651 HydrophobicContact CG1-CD1 3.4Å
197	E	93.7	Very high	94.1	Very high	161 Å²	161	61 Å²	61	75%	0.752	32%	0.324	S	S	*	.	H	α-helix	trans	-62.9	-51.2	178.5	-174.5	176.1	-173.3	0	0	111.1	L193 E194 V195 T199 G200	L193-E197 PolarHBondContact O-N 3.45Å; E194-E197 PolarHBondContact O-N 3.09Å; V195-E197 VanDerWaalsContact C-N 3.35Å; V195-E197 PolarHBondContact O-N 2.8Å; E197-T199 VanDerWaalsContact C-N 3.33Å; E197-T199 PolarHBondContact O-N 2.9Å; E197-G200 PolarHBondContact O-N 3.13Å
198	R	93.8	Very high	94.2	Very high	184 Å²	184	65.1 Å²	65.1	69%	0.694	34%	0.341	S	S	*	.	H	α-helix	trans	-65.1	-33.1	-175	-169.6	179.2	72.3	-167.3	1.2	113.7	E194 V195	E194-R198 WeakPolarHBondContact O-CB 3.39Å; E194-R198 PolarHBondContact O-N 2.82Å; E194-R198 IonicContact OE1-NH1 2.85Å; V195-R198 PolarHBondContact O-N 2.94Å
199	T	91.9	Very high	94.3	Very high	42 Å²	42	71.1 Å²	71.1	26%	0.258	37%	0.369	S	S	.	.	H	α-helix	trans	-91.4	-6.5	-178.4	57.7	0	0	0	0	113.2	V195 E197 L201 Y224	V195-T199 HydrophobicContact CG1-CG2 4.14Å; V195-T199 WeakPolarHBondContact O-CB 3.32Å; V195-T199 WeakPolarHBondContact O-CG2 3.13Å; V195-T199 PolarHBondContact O-N 3.26Å; V195-T199 PolarHBondContact O-OG1 3.43Å; E197-T199 VanDerWaalsContact C-N 3.33Å; E197-T199 PolarHBondContact O-N 2.9Å; T199-L201 VanDerWaalsContact C-N 3.35Å; T199-L201 WeakPolarHBondContact OG1-CD1 3.5Å; T199-L201 VanDerWaalsContact OG1-CG 3.27Å; T199-L201 WeakPolarHBondContact OG1-CG 3.46Å; T199-Y224 WeakPolarHBondContact O-CD1 3.41Å
200	G	92.5	Very high	94.3	Very high	43 Å²	43	71 Å²	71	44%	0.443	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	22.3	-176.9	0	0	0	0	0	113.8	I196 E197 A202 Y224	I196-G200 PolarHBondContact O-N 3.1Å; E197-G200 PolarHBondContact O-N 3.13Å; G200-A202 PolarHBondContact O-N 3.36Å; G200-Y224 WeakPolarHBondContact O-CE1 3.4Å
201	L	95.1	Very high	94.2	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-1.7	178.7	-77.2	168.7	0	0	0	113.8	I196 T199 E203 E204 Y205 F220 Y224 I226 V647 L651	I196-L201 HydrophobicContact CB-CB 4.36Å; I196-L201 HydrophobicContact CG1-CB 4.38Å; I196-L201 HydrophobicContact CG2-CB 4.04Å; I196-L201 PolarHBondContact O-N 3.37Å; T199-L201 VanDerWaalsContact C-N 3.35Å; T199-L201 WeakPolarHBondContact OG1-CD1 3.5Å; T199-L201 VanDerWaalsContact OG1-CG 3.27Å; T199-L201 WeakPolarHBondContact OG1-CG 3.46Å; L201-E203 VanDerWaalsContact C-N 3.27Å; L201-E203 PolarHBondContact O-N 2.95Å; L201-E204 PolarHBondContact O-N 3.44Å; L201-E204 VanDerWaalsContact O-N 3.1Å; L201-Y205 WeakPolarHBondContact O-CB 3.32Å; L201-Y205 PolarHBondContact O-N 3.4Å; L201-F220 HydrophobicContact CD2-CD2 4.39Å; L201-F220 HydrophobicContact CD2-CE2 3.4Å; L201-F220 VanDerWaalsContact CD2-CE2 3.4Å; L201-F220 HydrophobicContact CD2-CZ 3.88Å; L201-Y224 HydrophobicContact CD2-CD1 3.65Å; L201-Y224 HydrophobicContact CD2-CD2 3.46Å; L201-Y224 VanDerWaalsContact CD2-CD2 3.46Å; L201-Y224 HydrophobicContact CD2-CE1 4Å; L201-Y224 HydrophobicContact CD2-CE2 3.83Å; L201-Y224 HydrophobicContact CD2-CG 3.37Å; L201-Y224 HydrophobicContact CG-CD1 3.95Å; L201-Y224 HydrophobicContact CG-CE1 4.43Å; L201-Y224 HydrophobicContact CG-CG 4.01Å; L201-I226 HydrophobicContact CD1-CD1 3.8Å; L201-I226 HydrophobicContact CD2-CD1 4.21Å; L201-V647 HydrophobicContact CD1-CG1 4.41Å; L201-V647 HydrophobicContact CD2-CG2 4.32Å; L201-L651 HydrophobicContact CD1-CD1 4.03Å; L201-L651 HydrophobicContact CD1-CD2 4.33Å
202	A	94.5	Very high	94.1	Very high	52 Å²	52	69.5 Å²	69.5	43%	0.43	36%	0.362	S	S	.	.	H	α-helix	trans	-55.5	-39.5	-174.2	0	0	0	0	0	113.3	I196 G200 Y205 T206	I196-A202 HydrophobicContact CG2-CB 4.38Å; G200-A202 PolarHBondContact O-N 3.36Å; A202-Y205 PolarHBondContact O-N 3.47Å; A202-T206 WeakPolarHBondContact O-CB 3.44Å; A202-T206 WeakPolarHBondContact O-CG2 3.5Å; A202-T206 PolarHBondContact O-N 2.97Å; A202-T206 PolarHBondContact O-OG1 2.97Å
203	E	93.3	Very high	93.8	Very high	139 Å²	139	71.3 Å²	71.3	65%	0.65	37%	0.374	S	S	*	.	H	α-helix	trans	-60.7	-49.1	176.1	-173.8	-179.7	-172.5	0	0	111.6	L201 T206 S207	L201-E203 VanDerWaalsContact C-N 3.27Å; L201-E203 PolarHBondContact O-N 2.95Å; E203-T206 PolarHBondContact O-N 3.41Å; E203-T206 PolarHBondContact O-OG1 2.95Å; E203-S207 WeakPolarHBondContact O-CB 3.45Å; E203-S207 PolarHBondContact O-N 3.27Å
204	E	95.2	Very high	93.4	Very high	6 Å²	6	69.4 Å²	69.4	3%	0.028	36%	0.364	C	S	.	.	H	α-helix	trans	-68.6	-37.7	179	-54	-66.7	178.6	0	0	111.6	L201 T206 S207 K223 Y224 R643 Q644 V647	L201-E204 PolarHBondContact O-N 3.44Å; L201-E204 VanDerWaalsContact O-N 3.1Å; E204-T206 VanDerWaalsContact C-N 3.28Å; E204-T206 PolarHBondContact O-N 3.31Å; E204-S207 PolarHBondContact O-N 3.29Å; E204-K223 IonicContact OE1-NZ 3.69Å; E204-K223 PolarHBondContact OE1-NZ 3.24Å; E204-Y224 HydrophobicContact CG-CE2 3.68Å; E204-Y224 VanDerWaalsContact CG-OH 3.23Å; E204-Y224 WeakPolarHBondContact CG-OH 3.2Å; E204-Y224 PolarHBondContact OE1-OH 3.48Å; E204-R643 VanDerWaalsContact CD-NH1 3.35Å; E204-R643 CarbonylContact O-C 3.29Å; E204-R643 VanDerWaalsContact O-C 3.29Å; E204-R643 WeakPolarHBondContact O-CB 3.22Å; E204-R643 IonicContact OE1-NH1 3.5Å; E204-R643 PolarHBondContact OE1-NH1 3.35Å; E204-R643 WeakPolarHBondContact OE2-CD 3.46Å; E204-R643 WeakPolarHBondContact OE2-CG 3.43Å; E204-R643 IonicContact OE2-CZ 3.26Å; E204-R643 IonicContact OE2-NE 2.84Å; E204-R643 IonicContact OE2-NH1 3.2Å; E204-R643 PolarHBondContact OE2-NH1 2.98Å; E204-Q644 WeakPolarHBondContact O-CA 3.5Å; E204-Q644 PolarHBondContact O-N 3.28Å; E204-Q644 VanDerWaalsContact O-N 3.11Å; E204-V647 HydrophobicContact CB-CG2 3.73Å
205	Y	95.3	Very high	93.1	Very high	39 Å²	39	70.7 Å²	70.7	15%	0.153	37%	0.374	C	S	.	.	H	α-helix	trans	-68.5	-25.7	-179.9	-176.2	-118.4	0	0	0	113.3	L193 I196 L201 A202 Q644 V647 E648	L193-Y205 HydrophobicContact CD2-CE1 4.02Å; I196-Y205 HydrophobicContact CD1-CD1 3.83Å; I196-Y205 HydrophobicContact CD1-CD2 3.6Å; I196-Y205 HydrophobicContact CD1-CE1 3.96Å; I196-Y205 HydrophobicContact CD1-CE2 3.73Å; I196-Y205 HydrophobicContact CD1-CG 3.65Å; I196-Y205 HydrophobicContact CG1-CG 4.44Å; I196-Y205 HydrophobicContact CG2-CD1 4.19Å; I196-Y205 HydrophobicContact CG2-CG 4.22Å; L201-Y205 WeakPolarHBondContact O-CB 3.32Å; L201-Y205 PolarHBondContact O-N 3.4Å; A202-Y205 PolarHBondContact O-N 3.47Å; Y205-Q644 WeakPolarHBondContact O-CB 3.33Å; Y205-Q644 WeakPolarHBondContact O-CG 3.38Å; Y205-Q644 PolarHBondContact O-NE2 3.48Å; Y205-V647 HydrophobicContact CD2-CB 4.25Å; Y205-V647 HydrophobicContact CD2-CG1 3.84Å; Y205-V647 HydrophobicContact CG-CG1 4.41Å; Y205-E648 HydrophobicContact CD2-CG 4.24Å; Y205-E648 HydrophobicContact CE2-CG 3.56Å
206	T	95.1	Very high	92.9	Very high	106 Å²	106	72 Å²	72	65%	0.65	38%	0.382	S	S	*	.	H	α-helix	trans	-97	-7	177.8	52.2	0	0	0	0	113.2	A202 E203 E204	A202-T206 WeakPolarHBondContact O-CB 3.44Å; A202-T206 WeakPolarHBondContact O-CG2 3.5Å; A202-T206 PolarHBondContact O-N 2.97Å; A202-T206 PolarHBondContact O-OG1 2.97Å; E203-T206 PolarHBondContact O-N 3.41Å; E203-T206 PolarHBondContact O-OG1 2.95Å; E204-T206 VanDerWaalsContact C-N 3.28Å; E204-T206 PolarHBondContact O-N 3.31Å
207	S	95.6	Very high	92.7	Very high	21 Å²	21	71.6 Å²	71.6	15%	0.147	38%	0.38	C	S	.	.			trans	-88.3	119.2	-177.9	-179.2	0	0	0	0	112	E203 E204 E209 R643 Q644	E203-S207 WeakPolarHBondContact O-CB 3.45Å; E203-S207 PolarHBondContact O-N 3.27Å; E204-S207 PolarHBondContact O-N 3.29Å; S207-E209 WeakPolarHBondContact OG-CB 3.28Å; S207-E209 PolarHBondContact OG-N 3.48Å; S207-R643 WeakPolarHBondContact OG-CD 3.43Å; S207-Q644 VanDerWaalsContact O-CB 3.3Å; S207-Q644 WeakPolarHBondContact O-CB 3.18Å; S207-Q644 PolarHBondContact O-N 3.45Å
208	E	94.5	Very high	92.5	Very high	153 Å²	153	64.7 Å²	64.7	72%	0.715	35%	0.352	S	S	*	.			trans	-83.2	2.2	169.4	-66.1	-170.5	176.8	0	0	112.8	N642	E208-N642 WeakPolarHBondContact CA-ND2 3.31Å; E208-N642 VanDerWaalsContact O-CB 3.31Å; E208-N642 WeakPolarHBondContact O-CB 3.49Å; E208-N642 PolarHBondContact O-ND2 2.52Å; E208-N642 VanDerWaalsContact O-ND2 3.1Å
209	E	94.5	Very high	92.4	Very high	131 Å²	131	60.1 Å²	60.1	61%	0.612	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-74	150.5	-177.1	-59.7	-174.5	162.2	0	0	112.7	S207 N642 R643	S207-E209 WeakPolarHBondContact OG-CB 3.28Å; S207-E209 PolarHBondContact OG-N 3.48Å; E209-N642 VanDerWaalsContact O-CB 3.28Å; E209-N642 WeakPolarHBondContact O-CB 3.41Å; E209-R643 PolarHBondContact O-N 3.34Å; E209-R643 VanDerWaalsContact O-N 3.09Å
210	S	92.8	Very high	92.4	Very high	58 Å²	58	58.2 Å²	58.2	41%	0.406	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-68.9	160.8	172.8	-60.7	0	0	0	0	111.3	R643	S210-R643 PolarHBondContact O-NE 2.96Å
211	W	92.7	Very high	92.4	Very high	11 Å²	11	56.2 Å²	56.2	4%	0.042	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-71	143.1	170.3	-69	96	0	0	0	110.7	S213 L217 F220 L637 R643 T646	W211-S213 VanDerWaalsContact C-N 3.35Å; W211-L217 HydrophobicContact CB-CB 4.35Å; W211-L217 HydrophobicContact CD2-CB 3.87Å; W211-L217 HydrophobicContact CD2-CD1 3.97Å; W211-L217 HydrophobicContact CD2-CG 4.47Å; W211-L217 HydrophobicContact CE3-CB 4.09Å; W211-L217 HydrophobicContact CG-CB 3.97Å; W211-L217 HydrophobicContact CG-CD1 4.3Å; W211-L217 HydrophobicContact CZ2-CD1 3.85Å; W211-F220 HydrophobicContact CH2-CB 3.93Å; W211-F220 AromaticContact CH2-CD2 3.66Å; W211-F220 HydrophobicContact CH2-CD2 3.66Å; W211-F220 HydrophobicContact CH2-CE2 4.45Å; W211-F220 AromaticContact CH2-CG 4Å; W211-F220 HydrophobicContact CH2-CG 4Å; W211-F220 HydrophobicContact CZ2-CD2 4.31Å; W211-F220 HydrophobicContact CZ3-CB 4.35Å; W211-L637 HydrophobicContact CB-CD1 3.99Å; W211-L637 VanDerWaalsContact O-CD2 3.24Å; W211-L637 WeakPolarHBondContact O-CD2 3.49Å; W211-L637 WeakPolarHBondContact O-CG 3.44Å; W211-R643 HydrophobicContact CD2-CG 4.07Å; W211-R643 HydrophobicContact CE3-CG 4.39Å; W211-R643 HydrophobicContact CH2-CG 4.26Å; W211-R643 HydrophobicContact CZ2-CB 4.38Å; W211-R643 HydrophobicContact CZ2-CG 3.95Å; W211-R643 HydrophobicContact CZ3-CG 4.48Å; W211-T646 HydrophobicContact CZ2-CG2 3.81Å; W211-T646 PolarHBondContact NE1-OG1 2.95Å
212	D	91	Very high	92.3	Very high	112 Å²	112	63.1 Å²	63.1	60%	0.599	34%	0.338	S	S	*	.	S	Bend	trans	-73.1	-29.3	-178.4	-45.3	-52.5	0	0	0	112.6	T216 L637 R643	D212-T216 HydrophobicContact CB-CG2 4.43Å; D212-L637 WeakPolarHBondContact O-CD2 3.31Å; D212-R643 IonicContact OD1-NH2 3.71Å; D212-R643 IonicContact OD2-NH2 2.83Å; D212-R643 PolarHBondContact OD2-NH2 3.46Å
213	S	89.9	Confident	92.2	Very high	37 Å²	37	66.9 Å²	66.9	26%	0.259	35%	0.345	S	S	.	.			trans	-160.5	167.6	177.5	64.5	0	0	0	0	110.5	W211 D215 T216 L217	W211-S213 VanDerWaalsContact C-N 3.35Å; S213-D215 PolarHBondContact O-N 2.82Å; S213-D215 PolarHBondContact OG-N 2.83Å; S213-T216 PolarHBondContact N-OG1 2.99Å; S213-T216 PolarHBondContact O-N 2.84Å; S213-T216 PolarHBondContact O-OG1 3.32Å; S213-T216 WeakPolarHBondContact OG-CG2 3.43Å; S213-T216 PolarHBondContact OG-N 2.76Å; S213-T216 PolarHBondContact OG-OG1 3.23Å; S213-L217 PolarHBondContact O-N 3.14Å
214	L	86.2	Confident	92.2	Very high	37 Å²	37	61.2 Å²	61.2	19%	0.194	32%	0.318	C	S	.	.	H	α-helix	trans	-65.1	-29.2	169.4	-68.1	169.9	0	0	0	112.1	L217 G218 W235 A595 L633 L637 L640	L214-L217 PolarHBondContact O-N 2.78Å; L214-G218 PolarHBondContact O-N 3.09Å; L214-W235 HydrophobicContact CD1-CH2 3.41Å; L214-W235 VanDerWaalsContact CD1-CH2 3.41Å; L214-W235 HydrophobicContact CD1-CZ2 3.85Å; L214-W235 HydrophobicContact CD1-CZ3 4.36Å; L214-W235 HydrophobicContact CD2-CH2 4.21Å; L214-W235 HydrophobicContact CD2-CZ3 4.43Å; L214-W235 HydrophobicContact CG-CH2 4.42Å; L214-A595 HydrophobicContact CD2-CB 4.34Å; L214-L633 HydrophobicContact CD1-CD2 3.7Å; L214-L637 HydrophobicContact CD2-CD1 4.33Å; L214-L637 HydrophobicContact CG-CD1 4.45Å; L214-L640 HydrophobicContact CD2-CD1 3.85Å
215	D	87.3	Confident	92	Very high	124 Å²	124	68.3 Å²	68.3	66%	0.663	36%	0.356	S	S	*	.	H	α-helix	trans	-68.9	-38.6	177.2	-67.6	-33.2	0	0	0	111.5	S213 G218 N219	S213-D215 PolarHBondContact O-N 2.82Å; S213-D215 PolarHBondContact OG-N 2.83Å; D215-G218 PolarHBondContact O-N 3.44Å; D215-N219 VanDerWaalsContact O-CB 3.28Å; D215-N219 WeakPolarHBondContact O-CB 3.16Å; D215-N219 PolarHBondContact O-N 2.78Å; D215-N219 PolarHBondContact O-ND2 3.09Å
216	T	91.5	Very high	91.8	Very high	47 Å²	47	67.5 Å²	67.5	29%	0.288	35%	0.354	S	S	.	.	H	α-helix	trans	-68.6	-40	175.6	52.2	0	0	0	0	111.6	D212 S213 G218 N219 F220	D212-T216 HydrophobicContact CB-CG2 4.43Å; S213-T216 PolarHBondContact N-OG1 2.99Å; S213-T216 PolarHBondContact O-N 2.84Å; S213-T216 PolarHBondContact O-OG1 3.32Å; S213-T216 WeakPolarHBondContact OG-CG2 3.43Å; S213-T216 PolarHBondContact OG-N 2.76Å; S213-T216 PolarHBondContact OG-OG1 3.23Å; T216-G218 VanDerWaalsContact C-N 3.35Å; T216-N219 PolarHBondContact O-N 2.74Å; T216-F220 PolarHBondContact O-N 3.45Å; T216-F220 VanDerWaalsContact O-N 3.14Å
217	L	91.4	Very high	91.6	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-61.9	-40.3	170.7	174	61.5	0	0	0	112	W211 S213 L214 F220 F593 A595 L640 T646	W211-L217 HydrophobicContact CB-CB 4.35Å; W211-L217 HydrophobicContact CD2-CB 3.87Å; W211-L217 HydrophobicContact CD2-CD1 3.97Å; W211-L217 HydrophobicContact CD2-CG 4.47Å; W211-L217 HydrophobicContact CE3-CB 4.09Å; W211-L217 HydrophobicContact CG-CB 3.97Å; W211-L217 HydrophobicContact CG-CD1 4.3Å; W211-L217 HydrophobicContact CZ2-CD1 3.85Å; S213-L217 PolarHBondContact O-N 3.14Å; L214-L217 PolarHBondContact O-N 2.78Å; L217-F220 WeakPolarHBondContact O-CB 3.32Å; L217-F220 PolarHBondContact O-N 3.38Å; L217-F593 HydrophobicContact CD2-CE2 3.88Å; L217-F593 HydrophobicContact CD2-CZ 4.4Å; L217-F593 HydrophobicContact CG-CD2 4.5Å; L217-F593 HydrophobicContact CG-CE2 3.85Å; L217-A595 HydrophobicContact CD2-CB 3.98Å; L217-L640 HydrophobicContact CD2-CD1 4.2Å; L217-T646 HydrophobicContact CD1-CG2 3.77Å
218	G	89.5	Confident	91.4	Very high	15 Å²	15	67.7 Å²	67.7	16%	0.155	35%	0.35	C	S	.	.	H	α-helix	trans	-70.7	-34.3	177.2	0	0	0	0	0	113.3	L214 D215 T216 F220 Y221	L214-G218 PolarHBondContact O-N 3.09Å; D215-G218 PolarHBondContact O-N 3.44Å; T216-G218 VanDerWaalsContact C-N 3.35Å; G218-F220 VanDerWaalsContact C-N 3.28Å; G218-F220 PolarHBondContact O-N 2.92Å; G218-Y221 WeakPolarHBondContact O-CD2 3.34Å
219	N	90.4	Very high	91.2	Very high	88 Å²	88	60.5 Å²	60.5	47%	0.471	32%	0.316	S	S	.	.	H	α-helix	trans	-76.8	-14.5	178.2	-73.8	-36.6	0	0	0	113.4	D215 T216 Y221 K222 K223	D215-N219 VanDerWaalsContact O-CB 3.28Å; D215-N219 WeakPolarHBondContact O-CB 3.16Å; D215-N219 PolarHBondContact O-N 2.78Å; D215-N219 PolarHBondContact O-ND2 3.09Å; T216-N219 PolarHBondContact O-N 2.74Å; N219-Y221 VanDerWaalsContact C-N 3.27Å; N219-Y221 PolarHBondContact O-N 3.39Å; N219-K222 PolarHBondContact O-N 3.32Å; N219-K223 WeakPolarHBondContact O-CB 3.14Å; N219-K223 PolarHBondContact O-N 3.13Å
220	F	91.6	Very high	90.8	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.009	30%	0.303	C	S	.	.	H	α-helix	trans	-45	-49.6	173.4	168.1	-107.6	0	0	0	112.7	L201 W211 T216 L217 G218 K222 K223 Y224 I226 V647 V650	L201-F220 HydrophobicContact CD2-CD2 4.39Å; L201-F220 HydrophobicContact CD2-CE2 3.4Å; L201-F220 VanDerWaalsContact CD2-CE2 3.4Å; L201-F220 HydrophobicContact CD2-CZ 3.88Å; W211-F220 HydrophobicContact CH2-CB 3.93Å; W211-F220 AromaticContact CH2-CD2 3.66Å; W211-F220 HydrophobicContact CH2-CD2 3.66Å; W211-F220 HydrophobicContact CH2-CE2 4.45Å; W211-F220 AromaticContact CH2-CG 4Å; W211-F220 HydrophobicContact CH2-CG 4Å; W211-F220 HydrophobicContact CZ2-CD2 4.31Å; W211-F220 HydrophobicContact CZ3-CB 4.35Å; T216-F220 PolarHBondContact O-N 3.45Å; T216-F220 VanDerWaalsContact O-N 3.14Å; L217-F220 WeakPolarHBondContact O-CB 3.32Å; L217-F220 PolarHBondContact O-N 3.38Å; G218-F220 VanDerWaalsContact C-N 3.28Å; G218-F220 PolarHBondContact O-N 2.92Å; F220-K222 PolarHBondContact O-N 2.89Å; F220-K223 PolarHBondContact O-N 3.16Å; F220-Y224 AromaticContact CD2-CD2 3.62Å; F220-Y224 HydrophobicContact CD2-CD2 3.62Å; F220-Y224 AromaticContact CD2-CE2 3.92Å; F220-Y224 HydrophobicContact CD2-CE2 3.92Å; F220-Y224 AromaticContact CE2-CD2 3.82Å; F220-Y224 HydrophobicContact CE2-CD2 3.82Å; F220-Y224 HydrophobicContact CE2-CE2 4.21Å; F220-Y224 HydrophobicContact CG-CD2 4.49Å; F220-Y224 WeakPolarHBondContact O-CD2 3.33Å; F220-Y224 PolarHBondContact O-N 2.99Å; F220-Y224 VanDerWaalsContact O-N 3.11Å; F220-I226 HydrophobicContact CD1-CD1 4.4Å; F220-I226 HydrophobicContact CE1-CD1 3.55Å; F220-I226 HydrophobicContact CE2-CD1 4.18Å; F220-I226 HydrophobicContact CZ-CD1 3.41Å; F220-I226 VanDerWaalsContact CZ-CD1 3.41Å; F220-V647 HydrophobicContact CE2-CG2 3.92Å; F220-V647 HydrophobicContact CZ-CG2 4.02Å; F220-V650 HydrophobicContact CE1-CB 4.47Å; F220-V650 HydrophobicContact CE1-CG1 4.21Å; F220-V650 HydrophobicContact CE1-CG2 4.25Å
221	Y	93.4	Very high	90.5	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	29%	0.285	C	S	.	.	H	α-helix	trans	-63.9	-44.6	-176.1	-55	-89.4	0	0	0	111.9	G218 N219 N225 I226 E228 P229 L232 G592 F593 V650	G218-Y221 WeakPolarHBondContact O-CD2 3.34Å; N219-Y221 VanDerWaalsContact C-N 3.27Å; N219-Y221 PolarHBondContact O-N 3.39Å; Y221-N225 CarbonylContact O-C 3.57Å; Y221-N225 WeakPolarHBondContact O-CA 3.27Å; Y221-N225 PolarHBondContact O-N 3.24Å; Y221-I226 HydrophobicContact CD1-CB 4.37Å; Y221-I226 HydrophobicContact CD1-CG2 4.21Å; Y221-I226 PolarHBondContact O-N 3.13Å; Y221-E228 HydrophobicContact CG-CG 4.22Å; Y221-P229 HydrophobicContact CE1-CG 4.18Å; Y221-L232 HydrophobicContact CD2-CD1 4.4Å; Y221-L232 HydrophobicContact CD2-CD2 3.67Å; Y221-L232 HydrophobicContact CE2-CD1 4.08Å; Y221-L232 HydrophobicContact CE2-CD2 4.09Å; Y221-L232 HydrophobicContact CG-CD2 4.29Å; Y221-G592 WeakPolarHBondContact CE1-O 3.34Å; Y221-G592 PolarHBondContact OH-O 2.8Å; Y221-F593 HydrophobicContact CE2-CD2 4.14Å; Y221-F593 WeakPolarHBondContact OH-CA 3.43Å; Y221-V650 HydrophobicContact CE1-CG1 4.22Å; Y221-V650 HydrophobicContact CE1-CG2 4.35Å
222	K	92.4	Very high	90.3	Very high	145 Å²	145	55.4 Å²	55.4	63%	0.63	29%	0.291	S	S	*	.	H	α-helix	trans	-67.5	-43.3	177.4	-65.8	179.5	-176	171.5	0	111.8	N219 F220 Y224 N225 E228	N219-K222 PolarHBondContact O-N 3.32Å; F220-K222 PolarHBondContact O-N 2.89Å; K222-Y224 VanDerWaalsContact C-N 3.31Å; K222-Y224 PolarHBondContact O-N 3.06Å; K222-N225 PolarHBondContact O-N 3.22Å; K222-E228 WeakPolarHBondContact CE-OE1 3.25Å; K222-E228 WeakPolarHBondContact CG-OE1 3.11Å
223	K	93.4	Very high	89.7	Confident	131 Å²	131	56 Å²	56	57%	0.57	29%	0.29	S	S	*	.	H	α-helix	trans	-57.3	-43.6	-179.9	-179.7	-178.4	173.5	-163.4	0	111.6	E204 N219 F220	E204-K223 IonicContact OE1-NZ 3.69Å; E204-K223 PolarHBondContact OE1-NZ 3.24Å; N219-K223 WeakPolarHBondContact O-CB 3.14Å; N219-K223 PolarHBondContact O-N 3.13Å; F220-K223 PolarHBondContact O-N 3.16Å
224	Y	92.9	Very high	88.8	Confident	21 Å²	21	56.5 Å²	56.5	8%	0.082	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	8.2	-175.3	-65.2	-72.6	0	0	0	114.2	T199 G200 L201 E204 F220 K222 I226	T199-Y224 WeakPolarHBondContact O-CD1 3.41Å; G200-Y224 WeakPolarHBondContact O-CE1 3.4Å; L201-Y224 HydrophobicContact CD2-CD1 3.65Å; L201-Y224 HydrophobicContact CD2-CD2 3.46Å; L201-Y224 VanDerWaalsContact CD2-CD2 3.46Å; L201-Y224 HydrophobicContact CD2-CE1 4Å; L201-Y224 HydrophobicContact CD2-CE2 3.83Å; L201-Y224 HydrophobicContact CD2-CG 3.37Å; L201-Y224 HydrophobicContact CG-CD1 3.95Å; L201-Y224 HydrophobicContact CG-CE1 4.43Å; L201-Y224 HydrophobicContact CG-CG 4.01Å; E204-Y224 HydrophobicContact CG-CE2 3.68Å; E204-Y224 VanDerWaalsContact CG-OH 3.23Å; E204-Y224 WeakPolarHBondContact CG-OH 3.2Å; E204-Y224 PolarHBondContact OE1-OH 3.48Å; F220-Y224 AromaticContact CD2-CD2 3.62Å; F220-Y224 HydrophobicContact CD2-CD2 3.62Å; F220-Y224 AromaticContact CD2-CE2 3.92Å; F220-Y224 HydrophobicContact CD2-CE2 3.92Å; F220-Y224 AromaticContact CE2-CD2 3.82Å; F220-Y224 HydrophobicContact CE2-CD2 3.82Å; F220-Y224 HydrophobicContact CE2-CE2 4.21Å; F220-Y224 HydrophobicContact CG-CD2 4.49Å; F220-Y224 WeakPolarHBondContact O-CD2 3.33Å; F220-Y224 PolarHBondContact O-N 2.99Å; F220-Y224 VanDerWaalsContact O-N 3.11Å; K222-Y224 VanDerWaalsContact C-N 3.31Å; K222-Y224 PolarHBondContact O-N 3.06Å; Y224-I226 PolarHBondContact O-N 3.07Å
225	N	91.4	Very high	88.1	Confident	154 Å²	154	57 Å²	57	82%	0.824	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	41.3	-177.1	-166.8	36.9	0	0	0	113.4	Y221 K222	Y221-N225 CarbonylContact O-C 3.57Å; Y221-N225 WeakPolarHBondContact O-CA 3.27Å; Y221-N225 PolarHBondContact O-N 3.24Å; K222-N225 PolarHBondContact O-N 3.22Å
226	I	89.9	Confident	86.8	Confident	23 Å²	23	51 Å²	51	12%	0.118	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-89.2	142.5	174	-56.8	172.8	0	0	0	107.9	L201 F220 Y221 Y224 E228 V650	L201-I226 HydrophobicContact CD1-CD1 3.8Å; L201-I226 HydrophobicContact CD2-CD1 4.21Å; F220-I226 HydrophobicContact CD1-CD1 4.4Å; F220-I226 HydrophobicContact CE1-CD1 3.55Å; F220-I226 HydrophobicContact CE2-CD1 4.18Å; F220-I226 HydrophobicContact CZ-CD1 3.41Å; F220-I226 VanDerWaalsContact CZ-CD1 3.41Å; Y221-I226 HydrophobicContact CD1-CB 4.37Å; Y221-I226 HydrophobicContact CD1-CG2 4.21Å; Y221-I226 PolarHBondContact O-N 3.13Å; Y224-I226 PolarHBondContact O-N 3.07Å; I226-E228 PolarHBondContact O-N 2.82Å; I226-V650 HydrophobicContact CG2-CG1 4.08Å
227	T	90.3	Very high	85.6	Confident	61 Å²	61	53.6 Å²	53.6	37%	0.374	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-55.4	128.8	173.4	-52.7	0	0	0	0	110.2	F588	T227-F588 HydrophobicContact CG2-CE1 4.35Å; T227-F588 WeakPolarHBondContact O-CZ 3.19Å
228	E	92.1	Very high	85.1	Confident	70 Å²	70	56.5 Å²	56.5	33%	0.327	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-72.1	132	173.2	-68.1	-179.5	177.7	0	0	110.1	Y221 K222 I226 L232	Y221-E228 HydrophobicContact CG-CG 4.22Å; K222-E228 WeakPolarHBondContact CE-OE1 3.25Å; K222-E228 WeakPolarHBondContact CG-OE1 3.11Å; I226-E228 PolarHBondContact O-N 2.82Å; E228-L232 HydrophobicContact CB-CD2 4.02Å; E228-L232 HydrophobicContact CG-CD2 3.73Å
229	P	90.7	Very high	85.2	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.006	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-73.9	152.5	171.4	33.9	-37.4	0	0	0	110.3	Y221 S231 L232 F588 F593	Y221-P229 HydrophobicContact CE1-CG 4.18Å; P229-S231 PolarHBondContact O-N 2.86Å; P229-S231 VanDerWaalsContact O-N 3.14Å; P229-L232 HydrophobicContact CG-CB 4.16Å; P229-L232 WeakPolarHBondContact O-CB 3.2Å; P229-L232 PolarHBondContact O-N 2.96Å; P229-F588 HydrophobicContact CB-CD1 4.42Å; P229-F588 HydrophobicContact CB-CE1 3.96Å; P229-F588 HydrophobicContact CB-CZ 4.08Å; P229-F593 HydrophobicContact CG-CB 3.99Å
230	V	86	Confident	85.3	Confident	56 Å²	56	54.5 Å²	54.5	34%	0.339	27%	0.267	S	S	.	.	H	α-helix	trans	-57	-33.1	177.8	176.5	0	0	0	0	111.8	L232 Q233 F234 D589	V230-L232 PolarHBondContact O-N 2.85Å; V230-Q233 PolarHBondContact O-N 2.8Å; V230-F234 HydrophobicContact CG1-CD2 4.16Å; V230-F234 HydrophobicContact CG1-CE2 4.35Å; V230-D589 HydrophobicContact CB-CB 4.45Å
231	S	86.7	Confident	85.2	Confident	5 Å²	5	54.4 Å²	54.4	4%	0.035	27%	0.266	C	S	.	.	H	α-helix	trans	-60.8	-25	177.8	46.8	0	0	0	0	114.6	P229 Q233 F234 W235 D589 F593	P229-S231 PolarHBondContact O-N 2.86Å; P229-S231 VanDerWaalsContact O-N 3.14Å; S231-Q233 PolarHBondContact O-N 3.2Å; S231-F234 PolarHBondContact O-N 3.44Å; S231-W235 WeakPolarHBondContact O-CA 3.43Å; S231-W235 WeakPolarHBondContact O-CB 3.5Å; S231-W235 PolarHBondContact O-N 2.9Å; S231-W235 VanDerWaalsContact O-N 3.08Å; S231-D589 WeakPolarHBondContact CB-O 3.26Å; S231-D589 PolarHBondContact OG-O 2.68Å; S231-F593 WeakPolarHBondContact OG-CB 3.45Å
232	L	87.5	Confident	85.2	Confident	32 Å²	32	54.4 Å²	54.4	17%	0.168	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-33	178.9	-174.1	64.9	0	0	0	111.8	Y221 E228 P229 V230 F593	Y221-L232 HydrophobicContact CD2-CD1 4.4Å; Y221-L232 HydrophobicContact CD2-CD2 3.67Å; Y221-L232 HydrophobicContact CE2-CD1 4.08Å; Y221-L232 HydrophobicContact CE2-CD2 4.09Å; Y221-L232 HydrophobicContact CG-CD2 4.29Å; E228-L232 HydrophobicContact CB-CD2 4.02Å; E228-L232 HydrophobicContact CG-CD2 3.73Å; P229-L232 HydrophobicContact CG-CB 4.16Å; P229-L232 WeakPolarHBondContact O-CB 3.2Å; P229-L232 PolarHBondContact O-N 2.96Å; V230-L232 PolarHBondContact O-N 2.85Å; L232-F593 HydrophobicContact CD1-CD1 4.47Å; L232-F593 HydrophobicContact CD1-CD2 3.66Å; L232-F593 HydrophobicContact CD1-CE1 4.32Å; L232-F593 HydrophobicContact CD1-CE2 3.45Å; L232-F593 VanDerWaalsContact CD1-CE2 3.45Å; L232-F593 HydrophobicContact CD1-CG 4.18Å; L232-F593 HydrophobicContact CD1-CZ 3.83Å
233	Q	79.8	Confident	85.3	Confident	124 Å²	124	47.5 Å²	47.5	58%	0.579	24%	0.236	S	C	*	.	H	α-helix	trans	-80.7	-25.8	-178	-63.7	-179.4	7.9	0	0	113.3	V230 S231	V230-Q233 PolarHBondContact O-N 2.8Å; S231-Q233 PolarHBondContact O-N 3.2Å
234	F	70.1	Confident	85.3	Confident	48 Å²	48	41.2 Å²	41.2	21%	0.211	21%	0.209	C	C	.	.	S	Bend	trans	-132.6	31.5	-168.9	-49.2	-65.8	0	0	0	113.3	V230 S231 C241 M704	V230-F234 HydrophobicContact CG1-CD2 4.16Å; V230-F234 HydrophobicContact CG1-CE2 4.35Å; S231-F234 PolarHBondContact O-N 3.44Å; F234-C241 WeakPolarHBondContact O-CB 3.44Å; F234-C241 PolarHBondContact O-SG 3.24Å; F234-C241 VanDerWaalsContact O-SG 3.4Å; F234-M704 HydrophobicContact CD1-CE 4.13Å; F234-M704 HydrophobicContact CD2-CE 4.49Å; F234-M704 HydrophobicContact CE1-CE 3.19Å; F234-M704 HydrophobicContact CE1-SD 4.26Å; F234-M704 HydrophobicContact CE2-CE 3.63Å; F234-M704 HydrophobicContact CE2-CG 4.2Å; F234-M704 HydrophobicContact CE2-SD 3.64Å; F234-M704 HydrophobicContact CZ-CE 2.92Å; F234-M704 HydrophobicContact CZ-CG 4.4Å; F234-M704 HydrophobicContact CZ-SD 3.38Å; F234-M704 WeakPolarHBondContact CZ-SD 3.29Å
235	W	71.8	Confident	85.4	Confident	47 Å²	47	40.3 Å²	40.3	18%	0.178	21%	0.206	C	C	.	.			trans	-59.9	170.8	-170	81.7	-62.7	0	0	0	114.4	L214 S231 M237 N238 L352 F593 A595 Q596	L214-W235 HydrophobicContact CD1-CH2 3.41Å; L214-W235 VanDerWaalsContact CD1-CH2 3.41Å; L214-W235 HydrophobicContact CD1-CZ2 3.85Å; L214-W235 HydrophobicContact CD1-CZ3 4.36Å; L214-W235 HydrophobicContact CD2-CH2 4.21Å; L214-W235 HydrophobicContact CD2-CZ3 4.43Å; L214-W235 HydrophobicContact CG-CH2 4.42Å; S231-W235 WeakPolarHBondContact O-CA 3.43Å; S231-W235 WeakPolarHBondContact O-CB 3.5Å; S231-W235 PolarHBondContact O-N 2.9Å; S231-W235 VanDerWaalsContact O-N 3.08Å; W235-M237 HydrophobicContact CD2-CG 4.2Å; W235-M237 VanDerWaalsContact CE2-CG 3.5Å; W235-M237 HydrophobicContact CH2-CG 3.82Å; W235-M237 HydrophobicContact CH2-SD 4.01Å; W235-M237 HydrophobicContact CZ2-CB 4.41Å; W235-M237 HydrophobicContact CZ2-CG 3.33Å; W235-M237 HydrophobicContact CZ2-SD 3.2Å; W235-M237 WeakPolarHBondContact CZ2-SD 3.39Å; W235-M237 HydrophobicContact CZ3-CG 4.45Å; W235-M237 PolarHBondContact O-N 2.98Å; W235-N238 PolarHBondContact O-N 2.86Å; W235-L352 HydrophobicContact CH2-CD2 3.94Å; W235-L352 HydrophobicContact CZ3-CD1 4.28Å; W235-L352 HydrophobicContact CZ3-CD2 4.16Å; W235-F593 HydrophobicContact CB-CD1 3.98Å; W235-F593 HydrophobicContact CB-CE1 3.66Å; W235-F593 HydrophobicContact CD2-CE1 4.05Å; W235-F593 AromaticContact CE3-CE1 3.99Å; W235-F593 HydrophobicContact CE3-CE1 3.99Å; W235-F593 AromaticContact CG-CE1 3.96Å; W235-F593 HydrophobicContact CG-CE1 3.96Å; W235-A595 HydrophobicContact CE3-CB 4.25Å; W235-A595 HydrophobicContact CZ3-CB 4.24Å; W235-Q596 VanDerWaalsContact C-OE1 3.3Å
236	M	61.2	Low	85.6	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-12.7	-165.3	-57.9	177.1	65.4	0	0	116.7	N238 F242 L352 K355 L356 N359 Q596	M236-N238 PolarHBondContact O-N 2.94Å; M236-N238 VanDerWaalsContact O-N 3.1Å; M236-F242 HydrophobicContact CE-CD2 3.49Å; M236-F242 VanDerWaalsContact CE-CD2 3.49Å; M236-F242 HydrophobicContact CE-CE2 3.55Å; M236-L352 HydrophobicContact CB-CD1 4.13Å; M236-K355 HydrophobicContact CE-CB 3.28Å; M236-K355 VanDerWaalsContact CE-O 3.29Å; M236-K355 WeakPolarHBondContact CE-O 3.48Å; M236-K355 PolarHBondContact O-NZ 3.12Å; M236-L356 HydrophobicContact CE-CD2 4.47Å; M236-L356 HydrophobicContact CE-CG 4.45Å; M236-L356 HydrophobicContact SD-CD2 3.75Å; M236-L356 HydrophobicContact SD-CG 4.25Å; M236-N359 HydrophobicContact CE-CB 4.21Å; M236-N359 WeakPolarHBondContact CE-ND2 3.22Å; M236-N359 HydrophobicContact SD-CB 4.47Å; M236-N359 PolarHBondContact SD-ND2 3.02Å; M236-Q596 VanDerWaalsContact CG-CD 3.48Å; M236-Q596 HydrophobicContact CG-CG 4.42Å
237	M	64.9	Low	85.9	Confident	101 Å²	101	32 Å²	32	50%	0.498	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-21.1	167.7	-72.4	-168.3	82.2	0	0	112.4	W235 T348	W235-M237 HydrophobicContact CD2-CG 4.2Å; W235-M237 VanDerWaalsContact CE2-CG 3.5Å; W235-M237 HydrophobicContact CH2-CG 3.82Å; W235-M237 HydrophobicContact CH2-SD 4.01Å; W235-M237 HydrophobicContact CZ2-CB 4.41Å; W235-M237 HydrophobicContact CZ2-CG 3.33Å; W235-M237 HydrophobicContact CZ2-SD 3.2Å; W235-M237 WeakPolarHBondContact CZ2-SD 3.39Å; W235-M237 HydrophobicContact CZ3-CG 4.45Å; W235-M237 PolarHBondContact O-N 2.98Å; M237-T348 HydrophobicContact CE-CG2 4.35Å
238	N	81.9	Confident	86	Confident	61 Å²	61	30 Å²	30	33%	0.326	15%	0.147	S	C	.	.	S	Bend	trans	-92.9	107.4	168.7	-170.2	-13.3	0	0	0	112	W235 M236 I240 C241 F242	W235-N238 PolarHBondContact O-N 2.86Å; M236-N238 PolarHBondContact O-N 2.94Å; M236-N238 VanDerWaalsContact O-N 3.1Å; N238-I240 PolarHBondContact O-N 3.31Å; N238-I240 VanDerWaalsContact O-N 3.13Å; N238-I240 WeakPolarHBondContact OD1-CB 3.29Å; N238-I240 WeakPolarHBondContact OD1-CG1 3.41Å; N238-I240 PolarHBondContact OD1-N 2.74Å; N238-C241 HydrophobicContact CB-CB 4.22Å; N238-C241 PolarHBondContact O-N 2.78Å; N238-F242 PolarHBondContact O-N 2.72Å
239	D	91.9	Very high	86.1	Confident	33 Å²	33	26.6 Å²	26.6	18%	0.176	13%	0.131	C	C	.	.	H	α-helix	trans	-56.4	-27.3	176	-78.8	-9.6	0	0	0	113.6	G243 P326 W351 K355	D239-G243 PolarHBondContact O-N 3.16Å; D239-G243 VanDerWaalsContact O-N 3.13Å; D239-P326 HydrophobicContact CB-CG 4Å; D239-P326 VanDerWaalsContact O-CD 3.26Å; D239-P326 WeakPolarHBondContact O-CD 3.46Å; D239-W351 PolarHBondContact OD1-NE1 2.84Å; D239-W351 PolarHBondContact OD2-NE1 3.32Å; D239-K355 IonicContact OD1-NZ 2.73Å; D239-K355 PolarHBondContact OD1-NZ 3.44Å
240	I	90.8	Very high	86.3	Confident	28 Å²	28	26.6 Å²	26.6	14%	0.144	13%	0.131	C	C	.	.	H	α-helix	trans	-66.9	-42	175.6	-56.8	165.9	0	0	0	110.1	N238 G243 A244 Q323 K325 H705	N238-I240 PolarHBondContact O-N 3.31Å; N238-I240 VanDerWaalsContact O-N 3.13Å; N238-I240 WeakPolarHBondContact OD1-CB 3.29Å; N238-I240 WeakPolarHBondContact OD1-CG1 3.41Å; N238-I240 PolarHBondContact OD1-N 2.74Å; I240-G243 PolarHBondContact O-N 2.95Å; I240-A244 WeakPolarHBondContact O-CB 3.42Å; I240-A244 PolarHBondContact O-N 3.44Å; I240-Q323 HydrophobicContact CG2-CB 4.24Å; I240-Q323 HydrophobicContact CG2-CG 3.97Å; I240-K325 HydrophobicContact CG1-CG 4.47Å; I240-H705 WeakPolarHBondContact CG2-NE2 3.36Å
241	C	90.9	Very high	86.9	Confident	1 Å²	1	24 Å²	24	1%	0.007	12%	0.115	C	C	.	.	H	α-helix	trans	-71.2	-37.1	-179.2	-63.7	0	0	0	0	111.3	F234 N238 G243 A244 Q245	F234-C241 WeakPolarHBondContact O-CB 3.44Å; F234-C241 PolarHBondContact O-SG 3.24Å; F234-C241 VanDerWaalsContact O-SG 3.4Å; N238-C241 HydrophobicContact CB-CB 4.22Å; N238-C241 PolarHBondContact O-N 2.78Å; C241-G243 VanDerWaalsContact C-N 3.31Å; C241-G243 PolarHBondContact O-N 3.13Å; C241-A244 PolarHBondContact O-N 2.66Å; C241-Q245 WeakPolarHBondContact O-CB 3.22Å; C241-Q245 PolarHBondContact O-N 2.86Å
242	F	93.5	Very high	87.4	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.1	-40	172.9	-179.1	-101.9	0	0	0	112.8	M236 N238 R246 F316 P326 K355 V358 N359	M236-F242 HydrophobicContact CE-CD2 3.49Å; M236-F242 VanDerWaalsContact CE-CD2 3.49Å; M236-F242 HydrophobicContact CE-CE2 3.55Å; N238-F242 PolarHBondContact O-N 2.72Å; F242-R246 PolarHBondContact O-NE 2.97Å; F242-R246 VanDerWaalsContact O-NE 3.11Å; F242-F316 AromaticContact CD1-CE1 3.78Å; F242-F316 HydrophobicContact CD1-CE1 3.78Å; F242-F316 HydrophobicContact CD1-CZ 4.13Å; F242-F316 AromaticContact CE1-CE1 3.73Å; F242-F316 HydrophobicContact CE1-CE1 3.73Å; F242-F316 AromaticContact CE1-CZ 3.6Å; F242-F316 HydrophobicContact CE1-CZ 3.6Å; F242-F316 HydrophobicContact CZ-CZ 4.47Å; F242-P326 HydrophobicContact CD1-CB 3.91Å; F242-P326 HydrophobicContact CD1-CG 3.62Å; F242-P326 HydrophobicContact CE1-CB 3.95Å; F242-P326 HydrophobicContact CE1-CG 4.17Å; F242-K355 HydrophobicContact CB-CD 4.36Å; F242-K355 HydrophobicContact CD1-CD 4.09Å; F242-K355 HydrophobicContact CD1-CG 4.25Å; F242-K355 HydrophobicContact CD2-CB 4Å; F242-K355 HydrophobicContact CD2-CD 4.19Å; F242-K355 HydrophobicContact CD2-CG 4.25Å; F242-K355 HydrophobicContact CE1-CD 4.38Å; F242-K355 HydrophobicContact CE1-CG 4.04Å; F242-K355 HydrophobicContact CE2-CB 3.62Å; F242-K355 HydrophobicContact CE2-CD 4.48Å; F242-K355 HydrophobicContact CE2-CG 4.03Å; F242-K355 WeakPolarHBondContact CE2-O 3.4Å; F242-K355 HydrophobicContact CG-CD 3.95Å; F242-K355 HydrophobicContact CG-CG 4.32Å; F242-K355 HydrophobicContact CZ-CB 3.9Å; F242-K355 HydrophobicContact CZ-CG 3.91Å; F242-V358 HydrophobicContact CE2-CB 4.43Å; F242-V358 HydrophobicContact CE2-CG1 4.36Å; F242-V358 HydrophobicContact CZ-CB 3.88Å; F242-V358 HydrophobicContact CZ-CG1 3.69Å; F242-N359 VanDerWaalsContact CE2-OD1 3.23Å; F242-N359 WeakPolarHBondContact CE2-OD1 3.28Å
243	G	94.6	Very high	87.9	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-72.7	-43.2	173.7	0	0	0	0	0	113.4	D239 I240 C241 Q245 R246 L324	D239-G243 PolarHBondContact O-N 3.16Å; D239-G243 VanDerWaalsContact O-N 3.13Å; I240-G243 PolarHBondContact O-N 2.95Å; C241-G243 VanDerWaalsContact C-N 3.31Å; C241-G243 PolarHBondContact O-N 3.13Å; G243-Q245 PolarHBondContact O-N 3.05Å; G243-R246 VanDerWaalsContact O-CB 3.29Å; G243-R246 WeakPolarHBondContact O-CB 3.46Å; G243-R246 WeakPolarHBondContact O-CG 3.39Å; G243-R246 PolarHBondContact O-N 3.47Å; G243-L324 WeakPolarHBondContact CA-O 3.4Å
244	A	93	Very high	88.7	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.7	-37.2	177.1	0	0	0	0	0	112.1	I240 C241 R246 I247 R248 H705	I240-A244 WeakPolarHBondContact O-CB 3.42Å; I240-A244 PolarHBondContact O-N 3.44Å; C241-A244 PolarHBondContact O-N 2.66Å; A244-R246 PolarHBondContact O-N 3.29Å; A244-I247 WeakPolarHBondContact O-CG1 3.39Å; A244-I247 PolarHBondContact O-N 3.03Å; A244-R248 HydrophobicContact CB-CG 4.42Å; A244-R248 VanDerWaalsContact O-CG 3.23Å; A244-R248 WeakPolarHBondContact O-CG 3.45Å; A244-R248 PolarHBondContact O-N 3.29Å; A244-H705 WeakPolarHBondContact CB-O 3.19Å
245	Q	93.9	Very high	90.1	Very high	2 Å²	2	17 Å²	17	1%	0.009	8%	0.083	C	C	.	.	H	α-helix	trans	-53.6	-28.7	175.3	-169.1	173.4	28	0	0	113.3	C241 G243 I247 G249 N359 E590	C241-Q245 WeakPolarHBondContact O-CB 3.22Å; C241-Q245 PolarHBondContact O-N 2.86Å; G243-Q245 PolarHBondContact O-N 3.05Å; Q245-I247 VanDerWaalsContact C-N 3.26Å; Q245-I247 PolarHBondContact O-N 2.86Å; Q245-G249 VanDerWaalsContact O-CA 3.28Å; Q245-G249 WeakPolarHBondContact O-CA 3.5Å; Q245-G249 PolarHBondContact O-N 2.6Å; Q245-N359 PolarHBondContact OE1-ND2 3.17Å; Q245-E590 VanDerWaalsContact CD-OE2 3.28Å; Q245-E590 WeakPolarHBondContact CG-OE2 3.31Å; Q245-E590 PolarHBondContact NE2-OE2 3.1Å
246	R	96	Very high	91.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-71	-18.6	178.6	-51.3	-51.9	113.1	-166.7	3.5	114.4	F242 G243 A244 P252 I255 F316 L324 N359 D362	F242-R246 PolarHBondContact O-NE 2.97Å; F242-R246 VanDerWaalsContact O-NE 3.11Å; G243-R246 VanDerWaalsContact O-CB 3.29Å; G243-R246 WeakPolarHBondContact O-CB 3.46Å; G243-R246 WeakPolarHBondContact O-CG 3.39Å; G243-R246 PolarHBondContact O-N 3.47Å; A244-R246 PolarHBondContact O-N 3.29Å; R246-P252 WeakPolarHBondContact O-CA 3.32Å; R246-I255 HydrophobicContact CB-CB 4.16Å; R246-I255 HydrophobicContact CB-CD1 4.35Å; R246-I255 HydrophobicContact CB-CG1 4.41Å; R246-I255 HydrophobicContact CG-CD1 4.36Å; R246-F316 HydrophobicContact CG-CE1 4.1Å; R246-F316 HydrophobicContact CG-CZ 4Å; R246-L324 HydrophobicContact CB-CD2 4.13Å; R246-L324 HydrophobicContact CG-CD2 4.32Å; R246-N359 PolarHBondContact NH2-OD1 3.21Å; R246-D362 IonicContact CZ-OD2 2.79Å; R246-D362 IonicContact NH1-OD1 2.63Å; R246-D362 IonicContact NH1-OD2 2.71Å; R246-D362 PolarHBondContact NH1-OD2 3.26Å
247	I	95.6	Very high	93	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-124.4	-14.7	-170.4	57.3	-178.3	0	0	0	113.4	A244 Q245 I255 L324 L468 N470 Y471 Y473	A244-I247 WeakPolarHBondContact O-CG1 3.39Å; A244-I247 PolarHBondContact O-N 3.03Å; Q245-I247 VanDerWaalsContact C-N 3.26Å; Q245-I247 PolarHBondContact O-N 2.86Å; I247-I255 HydrophobicContact CG2-CG2 4.03Å; I247-L324 HydrophobicContact CG2-CD2 4.32Å; I247-L468 HydrophobicContact CG2-CD2 4.13Å; I247-N470 WeakPolarHBondContact CD1-O 3.41Å; I247-Y471 VanDerWaalsContact CA-CE2 3.47Å; I247-Y471 HydrophobicContact CB-CD2 3.47Å; I247-Y471 VanDerWaalsContact CB-CD2 3.47Å; I247-Y471 HydrophobicContact CB-CE2 3.61Å; I247-Y471 HydrophobicContact CB-CG 4.04Å; I247-Y471 HydrophobicContact CG2-CD1 4.21Å; I247-Y471 HydrophobicContact CG2-CD2 3.87Å; I247-Y471 HydrophobicContact CG2-CE1 4.14Å; I247-Y471 HydrophobicContact CG2-CE2 3.8Å; I247-Y471 HydrophobicContact CG2-CG 4.06Å; I247-Y471 VanDerWaalsContact O-CD2 3.23Å; I247-Y471 WeakPolarHBondContact O-CD2 3.15Å; I247-Y471 VanDerWaalsContact O-CE2 3.23Å; I247-Y471 WeakPolarHBondContact O-CE2 3.36Å; I247-Y473 WeakPolarHBondContact O-CB 3.25Å; I247-Y473 PolarHBondContact O-N 2.92Å
248	R	93.4	Very high	94.4	Very high	19 Å²	19	14 Å²	14	7%	0.072	7%	0.07	C	C	.	.	H	α-helix	trans	-134.1	-2.7	176.9	74.3	100.3	-177.8	149	7	114.5	A244 P472 E590 H705 Y708	A244-R248 HydrophobicContact CB-CG 4.42Å; A244-R248 VanDerWaalsContact O-CG 3.23Å; A244-R248 WeakPolarHBondContact O-CG 3.45Å; A244-R248 PolarHBondContact O-N 3.29Å; R248-P472 HydrophobicContact CB-CB 4.21Å; R248-P472 HydrophobicContact CB-CG 3.99Å; R248-E590 IonicContact CZ-OE1 3.9Å; R248-E590 IonicContact NH1-OE1 3.4Å; R248-E590 PolarHBondContact NH1-OE1 3.27Å; R248-E590 IonicContact NH2-OE1 3.99Å; R248-H705 PolarHBondContact NE-O 3.29Å; R248-Y708 HydrophobicContact CB-CD2 3.91Å; R248-Y708 HydrophobicContact CB-CG 4.35Å; R248-Y708 WeakPolarHBondContact O-CD2 3.36Å; R248-Y708 WeakPolarHBondContact O-CE2 3.38Å
249	G	94.4	Very high	94.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	-74.2	-164	177.5	0	0	0	0	0	112.3	Q245 N251 P252	Q245-G249 VanDerWaalsContact O-CA 3.28Å; Q245-G249 WeakPolarHBondContact O-CA 3.5Å; Q245-G249 PolarHBondContact O-N 2.6Å; G249-N251 VanDerWaalsContact C-N 3.28Å; G249-N251 PolarHBondContact O-N 3.43Å; G249-P252 WeakPolarHBondContact O-CD 3.34Å
250	C	95.5	Very high	94.8	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.007	11%	0.111	C	C	.	.	S	Bend	trans	-77.6	-9.4	175.3	60	0	0	0	0	113.8	H366 L583 P586 M587 E590 Y597	C250-H366 PolarHBondContact O-CD2 3.37Å; C250-H366 PolarHBondContact O-NE2 3.09Å; C250-L583 WeakPolarHBondContact O-CD2 3.5Å; C250-P586 HydrophobicContact CB-CB 4.1Å; C250-M587 HydrophobicContact CB-CG 4.43Å; C250-E590 HydrophobicContact CB-CG 4.37Å; C250-Y597 VanDerWaalsContact SG-CE1 3.52Å
251	N	97.7	Very high	94.7	Very high	2 Å²	2	23 Å²	23	1%	0.011	11%	0.109	C	C	.	.			trans	-126.9	60.3	177.5	-164.5	18.4	0	0	0	113.6	G249 F253 T254 D362 H365 H366	G249-N251 VanDerWaalsContact C-N 3.28Å; G249-N251 PolarHBondContact O-N 3.43Å; N251-F253 PolarHBondContact O-N 3.49Å; N251-T254 VanDerWaalsContact ND2-CG2 3.28Å; N251-T254 WeakPolarHBondContact ND2-CG2 3.17Å; N251-T254 PolarHBondContact O-OG1 3.4Å; N251-D362 PolarHBondContact ND2-OD1 3.14Å; N251-H365 PolarHBondContact ND2-ND1 2.74Å; N251-H366 HydrophobicContact CB-CB 3.99Å
252	P	97.3	Very high	94.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	19.4	-179.6	35.1	-38	0	0	0	113.3	R246 G249 R460 Y471 Y473	R246-P252 WeakPolarHBondContact O-CA 3.32Å; G249-P252 WeakPolarHBondContact O-CD 3.34Å; P252-R460 PolarHBondContact O-NH1 3.18Å; P252-R460 PolarHBondContact O-NH2 3.13Å; P252-Y471 HydrophobicContact CB-CE2 4.18Å; P252-Y471 PolarHBondContact O-OH 2.98Å; P252-Y473 HydrophobicContact CB-CD1 4Å; P252-Y473 HydrophobicContact CB-CD2 4.32Å; P252-Y473 HydrophobicContact CB-CG 3.72Å; P252-Y473 HydrophobicContact CG-CD1 4.07Å; P252-Y473 HydrophobicContact CG-CD2 3.65Å; P252-Y473 HydrophobicContact CG-CE2 4.24Å; P252-Y473 HydrophobicContact CG-CG 3.58Å
253	F	97.6	Very high	94.2	Very high	40 Å²	40	32.6 Å²	32.6	18%	0.175	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-0.4	-170.1	-57.6	-82.8	0	0	0	113.8	N251 R460 Y473 V578 A582 L583	N251-F253 PolarHBondContact O-N 3.49Å; F253-R460 WeakPolarHBondContact O-CD 2.96Å; F253-Y473 HydrophobicContact CD1-CE1 4.48Å; F253-Y473 HydrophobicContact CE1-CE1 4.02Å; F253-Y473 HydrophobicContact CE1-CE2 4.05Å; F253-Y473 AromaticContact CE1-CZ 3.49Å; F253-Y473 VanDerWaalsContact CE1-CZ 3.49Å; F253-Y473 WeakPolarHBondContact CE1-OH 3.48Å; F253-Y473 AromaticContact CZ-CE2 3.84Å; F253-Y473 HydrophobicContact CZ-CE2 3.84Å; F253-Y473 AromaticContact CZ-CZ 3.79Å; F253-V578 HydrophobicContact CE1-CG1 4.39Å; F253-V578 HydrophobicContact CE1-CG2 4.16Å; F253-V578 HydrophobicContact CE2-CG1 4.45Å; F253-V578 HydrophobicContact CZ-CB 4.41Å; F253-V578 HydrophobicContact CZ-CG1 3.91Å; F253-V578 HydrophobicContact CZ-CG2 4.15Å; F253-A582 HydrophobicContact CE2-CB 4.35Å; F253-A582 HydrophobicContact CZ-CB 4.11Å; F253-L583 HydrophobicContact CD2-CD2 3.81Å; F253-L583 HydrophobicContact CE2-CD2 3.48Å; F253-L583 VanDerWaalsContact CE2-CD2 3.48Å; F253-L583 HydrophobicContact CE2-CG 3.89Å
254	T	97.8	Very high	93.7	Very high	21 Å²	21	33.7 Å²	33.7	13%	0.129	16%	0.161	C	C	.	.	S	Bend	trans	-109.8	-27	-167	51.9	0	0	0	0	114.6	N251 L293 F295	N251-T254 VanDerWaalsContact ND2-CG2 3.28Å; N251-T254 WeakPolarHBondContact ND2-CG2 3.17Å; N251-T254 PolarHBondContact O-OG1 3.4Å; T254-L293 WeakPolarHBondContact OG1-CD1 3.23Å; T254-F295 HydrophobicContact CG2-CE1 4.16Å; T254-F295 HydrophobicContact CG2-CZ 4.39Å
255	I	97.8	Very high	93.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	136.4	179.1	-165.2	73.2	0	0	0	110.3	R246 I247 Y291 L293 F316 L324 R460 Y471	R246-I255 HydrophobicContact CB-CB 4.16Å; R246-I255 HydrophobicContact CB-CD1 4.35Å; R246-I255 HydrophobicContact CB-CG1 4.41Å; R246-I255 HydrophobicContact CG-CD1 4.36Å; I247-I255 HydrophobicContact CG2-CG2 4.03Å; I255-Y291 HydrophobicContact CG1-CD1 4.4Å; I255-L293 HydrophobicContact CD1-CB 4.32Å; I255-F316 HydrophobicContact CD1-CD2 3.91Å; I255-F316 HydrophobicContact CD1-CE2 4.23Å; I255-F316 HydrophobicContact CD1-CG 4.44Å; I255-L324 HydrophobicContact CD1-CD2 4.15Å; I255-L324 HydrophobicContact CG1-CD2 4.15Å; I255-R460 PolarHBondContact O-NH1 3.33Å; I255-Y471 HydrophobicContact CG2-CE1 4.32Å
256	Q	97.5	Very high	92.9	Very high	66 Å²	66	38.9 Å²	38.9	31%	0.308	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	156.6	-179.5	62.5	-179.7	1.4	0	0	111.3	Y291 L292 R460	Q256-Y291 CarbonylContact O-C 3.52Å; Q256-Y291 VanDerWaalsContact O-CA 3.24Å; Q256-Y291 WeakPolarHBondContact O-CA 3.47Å; Q256-Y291 WeakPolarHBondContact O-CD1 3.34Å; Q256-L292 HydrophobicContact CG-CB 4.15Å; Q256-L292 WeakPolarHBondContact CG-O 3.41Å; Q256-L292 PolarHBondContact N-O 2.9Å; Q256-L292 PolarHBondContact O-N 3.49Å; Q256-R460 CarbonylContact C-O 3.5Å; Q256-R460 VanDerWaalsContact CA-O 3.28Å; Q256-R460 WeakPolarHBondContact CA-O 3.15Å; Q256-R460 HydrophobicContact CB-CB 3.94Å; Q256-R460 HydrophobicContact CB-CG 4.38Å; Q256-R460 WeakPolarHBondContact CB-O 3.23Å
257	I	96.7	Very high	92.3	Very high	19 Å²	19	43.7 Å²	43.7	10%	0.097	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	139.9	177.5	-165.5	171.1	0	0	0	111.8	R259 N288 Y291 R460	I257-R259 HydrophobicContact CG2-CG 3.85Å; I257-R259 PolarHBondContact O-N 2.9Å; I257-N288 HydrophobicContact CD1-CB 3.52Å; I257-N288 VanDerWaalsContact CD1-CG 3.41Å; I257-N288 WeakPolarHBondContact CD1-OD1 3.39Å; I257-Y291 HydrophobicContact CB-CD1 4.38Å; I257-Y291 HydrophobicContact CB-CE1 4.06Å; I257-Y291 HydrophobicContact CG1-CE1 4.22Å; I257-R460 PolarHBondContact N-O 3.29Å
258	C	95	Very high	91.8	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.007	21%	0.21	C	C	.	.			trans	-82.6	91.1	172.5	-171.3	0	0	0	0	110	T260 L290 L292	C258-T260 PolarHBondContact SG-O 3.45Å; C258-T260 VanDerWaalsContact SG-O 3.41Å; C258-L290 HydrophobicContact CB-CB 3.61Å; C258-L290 VanDerWaalsContact CB-O 3.24Å; C258-L290 WeakPolarHBondContact CB-O 3.42Å; C258-L290 PolarHBondContact N-O 2.93Å; C258-L292 HydrophobicContact CB-CD1 4.2Å; C258-L292 HydrophobicContact CB-CD2 4.43Å; C258-L292 HydrophobicContact CB-CG 3.84Å
259	R	91.8	Very high	91.4	Very high	174 Å²	174	44.2 Å²	44.2	66%	0.657	22%	0.217	S	C	*	.	S	Bend	trans	-73.7	-35.3	175.4	-60.3	-171.8	-179.1	159.2	2.3	113	I257 V285	I257-R259 HydrophobicContact CG2-CG 3.85Å; I257-R259 PolarHBondContact O-N 2.9Å; R259-V285 VanDerWaalsContact O-CG1 3.27Å; R259-V285 WeakPolarHBondContact O-CG1 3.4Å
260	T	90.3	Very high	91	Very high	113 Å²	113	49.8 Å²	49.8	69%	0.693	25%	0.247	S	C	*	.	S	Bend	trans	-132.9	127.7	178.6	-52.4	0	0	0	0	107.9	C258 P262	C258-T260 PolarHBondContact SG-O 3.45Å; C258-T260 VanDerWaalsContact SG-O 3.41Å; T260-P262 WeakPolarHBondContact O-CD 3.33Å
261	L	87.6	Confident	90.6	Very high	22 Å²	22	52.6 Å²	52.6	12%	0.115	27%	0.267	C	S	.	.			trans	-64.8	125.4	177.9	-171.5	65.3	0	0	0	109.4	K263 F265 E266 L281 L290 I315	L261-K263 PolarHBondContact O-N 3.44Å; L261-F265 HydrophobicContact CD1-CB 4Å; L261-F265 HydrophobicContact CG-CB 4.38Å; L261-E266 HydrophobicContact CB-CG 4.43Å; L261-E266 HydrophobicContact CD2-CB 4.48Å; L261-E266 HydrophobicContact CD2-CG 3.54Å; L261-E266 HydrophobicContact CG-CG 3.98Å; L261-L281 HydrophobicContact CD2-CB 4.19Å; L261-L281 HydrophobicContact CD2-CD1 3.64Å; L261-L290 HydrophobicContact CD1-CD1 4.48Å; L261-I315 HydrophobicContact CD1-CD1 3.67Å
262	P	87.5	Confident	90	Very high	26 Å²	26	52.5 Å²	52.5	17%	0.169	27%	0.266	C	S	.	.			trans	-58.5	137.2	173	-25.9	34.5	0	0	0	111.3	T260 S264 F265 E266 L292 L313	T260-P262 WeakPolarHBondContact O-CD 3.33Å; P262-S264 PolarHBondContact O-N 3.07Å; P262-S264 VanDerWaalsContact O-N 3.12Å; P262-F265 HydrophobicContact CB-CD2 3.76Å; P262-F265 HydrophobicContact CB-CE2 4.3Å; P262-F265 HydrophobicContact CG-CD2 3.7Å; P262-F265 HydrophobicContact CG-CE2 4.06Å; P262-F265 PolarHBondContact O-N 3.09Å; P262-E266 PolarHBondContact O-N 3.36Å; P262-L292 HydrophobicContact CG-CD1 4.1Å; P262-L292 HydrophobicContact CG-CD2 4.04Å; P262-L313 HydrophobicContact CB-CD2 4.02Å; P262-L313 HydrophobicContact CG-CD2 4Å
263	K	86.2	Confident	89.4	Confident	177 Å²	177	58.7 Å²	58.7	77%	0.77	29%	0.293	S	S	*	.	H	α-helix	trans	-52.8	-36.4	-178.9	-69.1	-175.2	178	-177.5	0	113.2	L261 F265 E266	L261-K263 PolarHBondContact O-N 3.44Å; K263-F265 PolarHBondContact O-N 3.24Å; K263-E266 WeakPolarHBondContact O-CB 3.37Å; K263-E266 PolarHBondContact O-N 2.92Å
264	S	84.7	Confident	88.8	Confident	23 Å²	23	61.8 Å²	61.8	16%	0.161	32%	0.317	C	S	.	.	H	α-helix	trans	-60.5	-44.4	176.6	50.8	0	0	0	0	111.5	P262 E266 M267 Q330 I341	P262-S264 PolarHBondContact O-N 3.07Å; P262-S264 VanDerWaalsContact O-N 3.12Å; S264-E266 VanDerWaalsContact C-N 3.33Å; S264-E266 PolarHBondContact O-N 3.3Å; S264-M267 VanDerWaalsContact O-CB 3.31Å; S264-M267 WeakPolarHBondContact O-CB 3.48Å; S264-M267 PolarHBondContact O-N 3.47Å; S264-M267 VanDerWaalsContact O-N 3.16Å; S264-Q330 VanDerWaalsContact CB-OE1 3.23Å; S264-Q330 PolarHBondContact OG-OE1 2.82Å; S264-I341 VanDerWaalsContact C-CD1 3.45Å; S264-I341 WeakPolarHBondContact O-CD1 3.17Å
265	F	84.9	Confident	88	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-72.6	-22.2	179.1	-62.1	-52.4	0	0	0	114.1	L261 P262 K263 M267 V268 A269 L292 L313 I315 A328 Q330 I341	L261-F265 HydrophobicContact CD1-CB 4Å; L261-F265 HydrophobicContact CG-CB 4.38Å; P262-F265 HydrophobicContact CB-CD2 3.76Å; P262-F265 HydrophobicContact CB-CE2 4.3Å; P262-F265 HydrophobicContact CG-CD2 3.7Å; P262-F265 HydrophobicContact CG-CE2 4.06Å; P262-F265 PolarHBondContact O-N 3.09Å; K263-F265 PolarHBondContact O-N 3.24Å; F265-M267 PolarHBondContact O-N 3.32Å; F265-V268 HydrophobicContact CD1-CG2 4.41Å; F265-V268 WeakPolarHBondContact O-CG2 3.18Å; F265-V268 PolarHBondContact O-N 2.62Å; F265-A269 PolarHBondContact O-N 3.3Å; F265-L292 HydrophobicContact CE2-CD2 4.3Å; F265-L313 HydrophobicContact CD2-CD2 4.45Å; F265-L313 HydrophobicContact CE2-CD2 3.63Å; F265-L313 HydrophobicContact CE2-CG 3.68Å; F265-L313 HydrophobicContact CZ-CB 4.5Å; F265-L313 HydrophobicContact CZ-CD2 4.15Å; F265-L313 HydrophobicContact CZ-CG 3.96Å; F265-I315 HydrophobicContact CD1-CG2 3.93Å; F265-I315 HydrophobicContact CD2-CB 4.12Å; F265-I315 HydrophobicContact CD2-CD1 4.21Å; F265-I315 HydrophobicContact CD2-CG2 3.96Å; F265-I315 HydrophobicContact CE1-CG2 3.8Å; F265-I315 HydrophobicContact CE2-CB 3.82Å; F265-I315 HydrophobicContact CE2-CG2 3.8Å; F265-I315 HydrophobicContact CG-CG2 4.03Å; F265-I315 HydrophobicContact CZ-CB 4.12Å; F265-I315 HydrophobicContact CZ-CG2 3.73Å; F265-A328 HydrophobicContact CD1-CB 3.7Å; F265-A328 HydrophobicContact CE1-CB 3.52Å; F265-Q330 HydrophobicContact CE1-CB 4.49Å; F265-Q330 HydrophobicContact CZ-CB 4.49Å; F265-I341 HydrophobicContact CD1-CD1 4.39Å; F265-I341 HydrophobicContact CD1-CG2 4.02Å; F265-I341 HydrophobicContact CE1-CG2 3.95Å
266	E	85.1	Confident	87.4	Confident	112 Å²	112	64.9 Å²	64.9	52%	0.523	33%	0.327	S	S	.	.	H	α-helix	trans	-60	-35.2	169.3	-71.9	178.8	176.6	0	0	111.6	L261 P262 K263 S264 V268 A269	L261-E266 HydrophobicContact CB-CG 4.43Å; L261-E266 HydrophobicContact CD2-CB 4.48Å; L261-E266 HydrophobicContact CD2-CG 3.54Å; L261-E266 HydrophobicContact CG-CG 3.98Å; P262-E266 PolarHBondContact O-N 3.36Å; K263-E266 WeakPolarHBondContact O-CB 3.37Å; K263-E266 PolarHBondContact O-N 2.92Å; S264-E266 VanDerWaalsContact C-N 3.33Å; S264-E266 PolarHBondContact O-N 3.3Å; E266-V268 PolarHBondContact O-N 2.95Å; E266-A269 WeakPolarHBondContact O-CB 3.28Å; E266-A269 PolarHBondContact O-N 3.12Å
267	M	84.2	Confident	87	Confident	100 Å²	100	66.2 Å²	66.2	49%	0.493	33%	0.334	S	S	.	.	H	α-helix	trans	-64.4	-29.4	-179.3	-57.5	175.1	64.7	0	0	112.8	S264 F265 N336 A338	S264-M267 VanDerWaalsContact O-CB 3.31Å; S264-M267 WeakPolarHBondContact O-CB 3.48Å; S264-M267 PolarHBondContact O-N 3.47Å; S264-M267 VanDerWaalsContact O-N 3.16Å; F265-M267 PolarHBondContact O-N 3.32Å; M267-N336 WeakPolarHBondContact CE-O 3.35Å; M267-A338 HydrophobicContact CB-CB 4.16Å; M267-A338 HydrophobicContact CE-CB 4.1Å
268	V	85	Confident	86.7	Confident	3 Å²	3	69 Å²	69	2%	0.018	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	10.4	179.1	-64.9	0	0	0	0	113	F265 E266 N270 S271 L272 A338 I341 L343	F265-V268 HydrophobicContact CD1-CG2 4.41Å; F265-V268 WeakPolarHBondContact O-CG2 3.18Å; F265-V268 PolarHBondContact O-N 2.62Å; E266-V268 PolarHBondContact O-N 2.95Å; V268-N270 PolarHBondContact O-N 3.08Å; V268-N270 VanDerWaalsContact O-N 3.11Å; V268-S271 WeakPolarHBondContact O-CB 3.43Å; V268-S271 PolarHBondContact O-N 3.18Å; V268-L272 HydrophobicContact CG2-CD1 4.16Å; V268-L272 HydrophobicContact CG2-CG 4.34Å; V268-L272 WeakPolarHBondContact O-CG 3.25Å; V268-L272 PolarHBondContact O-N 3.49Å; V268-L272 VanDerWaalsContact O-N 3.08Å; V268-A338 HydrophobicContact CG1-CB 3.95Å; V268-I341 HydrophobicContact CG1-CB 4.21Å; V268-I341 HydrophobicContact CG1-CD1 3.91Å; V268-I341 HydrophobicContact CG1-CG2 4.29Å; V268-I341 HydrophobicContact CG2-CD1 4.04Å; V268-I341 HydrophobicContact CG2-CG2 3.97Å; V268-L343 HydrophobicContact CG2-CD2 4.44Å
269	A	85.3	Confident	86.4	Confident	28 Å²	28	72.4 Å²	72.4	23%	0.231	38%	0.38	C	S	.	.	H	α-helix	trans	-54.6	-36.9	-174.8	0	0	0	0	0	113.7	F265 E266 L272 L281	F265-A269 PolarHBondContact O-N 3.3Å; E266-A269 WeakPolarHBondContact O-CB 3.28Å; E266-A269 PolarHBondContact O-N 3.12Å; A269-L272 PolarHBondContact O-N 3.33Å; A269-L281 HydrophobicContact CB-CD1 3.46Å; A269-L281 VanDerWaalsContact CB-CD1 3.46Å
270	N	85.5	Confident	86.2	Confident	118 Å²	118	67.5 Å²	67.5	63%	0.631	37%	0.369	S	S	*	.	H	α-helix	trans	-68.8	-40.3	176.6	-75.8	-37.8	0	0	0	112.6	V268 L272 K273	V268-N270 PolarHBondContact O-N 3.08Å; V268-N270 VanDerWaalsContact O-N 3.11Å; N270-L272 PolarHBondContact O-N 3.41Å; N270-K273 WeakPolarHBondContact O-CB 3.47Å; N270-K273 PolarHBondContact O-N 3.07Å; N270-K273 WeakPolarHBondContact OD1-CE 3.29Å; N270-K273 PolarHBondContact OD1-NZ 2.97Å
271	S	86.5	Confident	85.9	Confident	59 Å²	59	62.9 Å²	62.9	41%	0.413	34%	0.34	S	S	.	.	H	α-helix	trans	-67.2	-25.9	177.4	-54.8	0	0	0	0	112.5	V268 P274	V268-S271 WeakPolarHBondContact O-CB 3.43Å; V268-S271 PolarHBondContact O-N 3.18Å; S271-P274 WeakPolarHBondContact O-CD 3.14Å
272	L	85.7	Confident	85.7	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-74.9	-27	178.3	-68.8	176.5	0	0	0	113.4	V268 A269 N270 P274 Y275 L276 L281 I327 A328 L343	V268-L272 HydrophobicContact CG2-CD1 4.16Å; V268-L272 HydrophobicContact CG2-CG 4.34Å; V268-L272 WeakPolarHBondContact O-CG 3.25Å; V268-L272 PolarHBondContact O-N 3.49Å; V268-L272 VanDerWaalsContact O-N 3.08Å; A269-L272 PolarHBondContact O-N 3.33Å; N270-L272 PolarHBondContact O-N 3.41Å; L272-P274 VanDerWaalsContact C-N 3.31Å; L272-P274 WeakPolarHBondContact O-CD 3.39Å; L272-Y275 WeakPolarHBondContact O-CB 3.04Å; L272-Y275 PolarHBondContact O-N 3.35Å; L272-L276 HydrophobicContact CB-CD1 4.36Å; L272-L276 HydrophobicContact CB-CD2 4.27Å; L272-L276 HydrophobicContact CB-CG 4.41Å; L272-L276 WeakPolarHBondContact O-CG 3.25Å; L272-L281 HydrophobicContact CD1-CD1 4.18Å; L272-L281 HydrophobicContact CD1-CD2 4.23Å; L272-I327 HydrophobicContact CD1-CD1 4.31Å; L272-I327 HydrophobicContact CD2-CB 4.1Å; L272-I327 HydrophobicContact CD2-CD1 4.5Å; L272-I327 HydrophobicContact CD2-CG1 4.24Å; L272-I327 WeakPolarHBondContact CD2-O 3.47Å; L272-A328 HydrophobicContact CD2-CB 4.27Å; L272-L343 HydrophobicContact CD2-CD2 3.73Å
273	K	85.2	Confident	85.9	Confident	130 Å²	130	75.1 Å²	75.1	57%	0.565	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-43.2	-43.6	-172.8	-74.5	178.2	176.6	168.7	0	115.5	N270 Y275 L276	N270-K273 WeakPolarHBondContact O-CB 3.47Å; N270-K273 PolarHBondContact O-N 3.07Å; N270-K273 WeakPolarHBondContact OD1-CE 3.29Å; N270-K273 PolarHBondContact OD1-NZ 2.97Å; K273-Y275 PolarHBondContact O-N 2.81Å; K273-Y275 VanDerWaalsContact O-N 3.16Å; K273-L276 PolarHBondContact O-N 2.64Å; K273-L276 VanDerWaalsContact O-N 3.17Å
274	P	84.1	Confident	86	Confident	105 Å²	105	66.7 Å²	66.7	68%	0.682	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-61.1	-22.9	179.5	-23.6	35.7	0	0	0	114.5	S271 L272	S271-P274 WeakPolarHBondContact O-CD 3.14Å; L272-P274 VanDerWaalsContact C-N 3.31Å; L272-P274 WeakPolarHBondContact O-CD 3.39Å
275	Y	81.5	Confident	86.2	Confident	84 Å²	84	67 Å²	67	33%	0.329	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-95.8	-0.1	-177.3	-62.3	-88.2	0	0	0	113.4	L272 K273 F317 P344 T345	L272-Y275 WeakPolarHBondContact O-CB 3.04Å; L272-Y275 PolarHBondContact O-N 3.35Å; K273-Y275 PolarHBondContact O-N 2.81Å; K273-Y275 VanDerWaalsContact O-N 3.16Å; Y275-F317 WeakPolarHBondContact O-CD1 2.97Å; Y275-P344 HydrophobicContact CD1-CB 4.45Å; Y275-P344 HydrophobicContact CE1-CB 3.87Å; Y275-P344 HydrophobicContact CE1-CG 4.38Å; Y275-T345 HydrophobicContact CE2-CG2 3.4Å; Y275-T345 VanDerWaalsContact CE2-CG2 3.4Å; Y275-T345 WeakPolarHBondContact OH-CG2 3.12Å
276	L	85.6	Confident	86.4	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.005	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	10.5	-170	-59.3	-167	0	0	0	113.1	L272 K273 G278 W279 L281 M284 I327	L272-L276 HydrophobicContact CB-CD1 4.36Å; L272-L276 HydrophobicContact CB-CD2 4.27Å; L272-L276 HydrophobicContact CB-CG 4.41Å; L272-L276 WeakPolarHBondContact O-CG 3.25Å; K273-L276 PolarHBondContact O-N 2.64Å; K273-L276 VanDerWaalsContact O-N 3.17Å; L276-G278 PolarHBondContact O-N 3.22Å; L276-W279 WeakPolarHBondContact CB-O 3.45Å; L276-W279 VanDerWaalsContact O-CB 3.23Å; L276-W279 WeakPolarHBondContact O-CB 3.44Å; L276-W279 VanDerWaalsContact O-CD1 3.24Å; L276-W279 PolarHBondContact O-N 2.88Å; L276-L281 HydrophobicContact CD1-CD2 3.6Å; L276-L281 HydrophobicContact CD1-CG 3.84Å; L276-L281 HydrophobicContact CD2-CD2 4.08Å; L276-M284 VanDerWaalsContact CA-CE 3.5Å; L276-M284 HydrophobicContact CB-CE 3.57Å; L276-M284 HydrophobicContact CB-SD 4.31Å; L276-M284 HydrophobicContact CD1-SD 4.27Å; L276-M284 HydrophobicContact CD2-CE 3.68Å; L276-M284 HydrophobicContact CD2-SD 3.75Å; L276-M284 HydrophobicContact CG-CE 4.06Å; L276-M284 HydrophobicContact CG-SD 4.28Å; L276-M284 WeakPolarHBondContact O-CE 3.48Å; L276-I327 HydrophobicContact CD2-CD1 4.11Å
277	E	89.2	Confident	86.7	Confident	94 Å²	94	68.4 Å²	68.4	44%	0.439	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	33.7	177.7	-66.9	176.9	174.8	0	0	113.3	W279 F317 T319 E320	E277-W279 VanDerWaalsContact C-N 3.31Å; E277-W279 PolarHBondContact O-N 3.23Å; E277-F317 HydrophobicContact CB-CE1 4.17Å; E277-F317 HydrophobicContact CB-CZ 4.17Å; E277-F317 HydrophobicContact CG-CE1 3.79Å; E277-F317 HydrophobicContact CG-CZ 4.2Å; E277-F317 WeakPolarHBondContact OE2-CZ 3.39Å; E277-T319 WeakPolarHBondContact OE1-CB 3.5Å; E277-E320 WeakPolarHBondContact OE2-CG 3.13Å; E277-E320 PolarHBondContact OE2-N 2.92Å
278	G	89.5	Confident	87.1	Confident	78 Å²	78	66.7 Å²	66.7	80%	0.804	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	-7.1	-177.5	0	0	0	0	0	115.4	L276	L276-G278 PolarHBondContact O-N 3.22Å
279	W	89.2	Confident	87.5	Confident	73 Å²	73	68.7 Å²	68.7	28%	0.277	38%	0.375	S	S	.	.			trans	-75.9	152.2	174.9	-62.9	83.6	0	0	0	112.2	L276 E277 Q283 M284 A287 E320	L276-W279 WeakPolarHBondContact CB-O 3.45Å; L276-W279 VanDerWaalsContact O-CB 3.23Å; L276-W279 WeakPolarHBondContact O-CB 3.44Å; L276-W279 VanDerWaalsContact O-CD1 3.24Å; L276-W279 PolarHBondContact O-N 2.88Å; E277-W279 VanDerWaalsContact C-N 3.31Å; E277-W279 PolarHBondContact O-N 3.23Å; W279-Q283 HydrophobicContact CE3-CB 3.63Å; W279-Q283 HydrophobicContact CZ3-CB 4.06Å; W279-M284 HydrophobicContact CB-CE 3.67Å; W279-M284 HydrophobicContact CB-CG 3.57Å; W279-M284 HydrophobicContact CB-SD 4.27Å; W279-M284 HydrophobicContact CG-CE 4.15Å; W279-M284 HydrophobicContact CG-CG 4.13Å; W279-A287 HydrophobicContact CH2-CB 4.29Å; W279-A287 HydrophobicContact CZ3-CB 3.98Å; W279-E320 WeakPolarHBondContact CZ2-OE1 3.06Å; W279-E320 PolarHBondContact NE1-OE1 3.44Å
280	T	87.2	Confident	87.9	Confident	71 Å²	71	67.4 Å²	67.4	44%	0.436	36%	0.364	S	S	.	.			trans	-89.7	151.4	162.5	64.9	0	0	0	0	110.4	R282 Q283 M284	T280-R282 PolarHBondContact O-N 3.32Å; T280-Q283 PolarHBondContact O-N 2.89Å; T280-Q283 WeakPolarHBondContact OG1-CB 3.15Å; T280-Q283 VanDerWaalsContact OG1-CD 3.27Å; T280-Q283 WeakPolarHBondContact OG1-CG 3.43Å; T280-Q283 PolarHBondContact OG1-N 3.34Å; T280-Q283 PolarHBondContact OG1-OE1 3.42Å; T280-M284 WeakPolarHBondContact O-CG 3.19Å; T280-M284 PolarHBondContact O-N 2.78Å
281	L	84.9	Confident	88.4	Confident	16 Å²	16	61.8 Å²	61.8	8%	0.084	33%	0.334	C	S	.	.	H	α-helix	trans	-54.6	-38.5	176.9	-68.8	179.6	0	0	0	112.7	L261 A269 L272 L276 M284 V285 L290	L261-L281 HydrophobicContact CD2-CB 4.19Å; L261-L281 HydrophobicContact CD2-CD1 3.64Å; A269-L281 HydrophobicContact CB-CD1 3.46Å; A269-L281 VanDerWaalsContact CB-CD1 3.46Å; L272-L281 HydrophobicContact CD1-CD1 4.18Å; L272-L281 HydrophobicContact CD1-CD2 4.23Å; L276-L281 HydrophobicContact CD1-CD2 3.6Å; L276-L281 HydrophobicContact CD1-CG 3.84Å; L276-L281 HydrophobicContact CD2-CD2 4.08Å; L281-M284 HydrophobicContact CD2-SD 4.35Å; L281-M284 PolarHBondContact O-N 3.43Å; L281-V285 WeakPolarHBondContact O-CG2 3.4Å; L281-V285 PolarHBondContact O-N 3.18Å; L281-L290 HydrophobicContact CD2-CD1 4.09Å
282	R	83.6	Confident	88.9	Confident	210 Å²	210	59.7 Å²	59.7	79%	0.792	32%	0.318	S	S	*	.	H	α-helix	trans	-62.8	-45.7	176.9	-176.9	-179.8	-85.2	-177.5	-5.6	111.5	T280 M284 V285 S286	T280-R282 PolarHBondContact O-N 3.32Å; R282-M284 VanDerWaalsContact C-N 3.29Å; R282-M284 PolarHBondContact O-N 3.11Å; R282-V285 PolarHBondContact O-N 3.14Å; R282-S286 PolarHBondContact O-N 3.28Å; R282-S286 PolarHBondContact O-OG 3.35Å
283	Q	90.5	Very high	89.5	Confident	95 Å²	95	59.7 Å²	59.7	44%	0.444	32%	0.318	S	S	.	.	H	α-helix	trans	-63.1	-38.6	176.2	-70.8	163.9	-44.4	0	0	111.4	W279 T280 S286 A287	W279-Q283 HydrophobicContact CE3-CB 3.63Å; W279-Q283 HydrophobicContact CZ3-CB 4.06Å; T280-Q283 PolarHBondContact O-N 2.89Å; T280-Q283 WeakPolarHBondContact OG1-CB 3.15Å; T280-Q283 VanDerWaalsContact OG1-CD 3.27Å; T280-Q283 WeakPolarHBondContact OG1-CG 3.43Å; T280-Q283 PolarHBondContact OG1-N 3.34Å; T280-Q283 PolarHBondContact OG1-OE1 3.42Å; Q283-S286 PolarHBondContact O-N 2.89Å; Q283-A287 WeakPolarHBondContact O-CB 3.46Å; Q283-A287 PolarHBondContact O-N 2.81Å
284	M	88.5	Confident	90	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.1	-39.5	178.2	-62.5	179.4	147.4	0	0	112.8	L276 W279 T280 L281 R282 A287 N288 R289 L290 F317	L276-M284 VanDerWaalsContact CA-CE 3.5Å; L276-M284 HydrophobicContact CB-CE 3.57Å; L276-M284 HydrophobicContact CB-SD 4.31Å; L276-M284 HydrophobicContact CD1-SD 4.27Å; L276-M284 HydrophobicContact CD2-CE 3.68Å; L276-M284 HydrophobicContact CD2-SD 3.75Å; L276-M284 HydrophobicContact CG-CE 4.06Å; L276-M284 HydrophobicContact CG-SD 4.28Å; L276-M284 WeakPolarHBondContact O-CE 3.48Å; W279-M284 HydrophobicContact CB-CE 3.67Å; W279-M284 HydrophobicContact CB-CG 3.57Å; W279-M284 HydrophobicContact CB-SD 4.27Å; W279-M284 HydrophobicContact CG-CE 4.15Å; W279-M284 HydrophobicContact CG-CG 4.13Å; T280-M284 WeakPolarHBondContact O-CG 3.19Å; T280-M284 PolarHBondContact O-N 2.78Å; L281-M284 HydrophobicContact CD2-SD 4.35Å; L281-M284 PolarHBondContact O-N 3.43Å; R282-M284 VanDerWaalsContact C-N 3.29Å; R282-M284 PolarHBondContact O-N 3.11Å; M284-A287 CarbonylContact O-C 3.46Å; M284-A287 PolarHBondContact O-N 3.39Å; M284-N288 PolarHBondContact O-N 2.91Å; M284-N288 VanDerWaalsContact O-N 3.16Å; M284-R289 HydrophobicContact CB-CB 4.18Å; M284-R289 PolarHBondContact O-N 2.87Å; M284-L290 HydrophobicContact CB-CD1 3.87Å; M284-L290 HydrophobicContact CB-CD2 4.37Å; M284-L290 HydrophobicContact CB-CG 3.7Å; M284-L290 HydrophobicContact SD-CD1 4.46Å; M284-L290 HydrophobicContact SD-CD2 3.89Å; M284-L290 HydrophobicContact SD-CG 4.22Å; M284-F317 HydrophobicContact CE-CD1 4.01Å; M284-F317 HydrophobicContact CE-CD2 3.3Å; M284-F317 HydrophobicContact CE-CE1 3.89Å; M284-F317 HydrophobicContact CE-CE2 3.18Å; M284-F317 HydrophobicContact CE-CG 3.75Å; M284-F317 HydrophobicContact CE-CZ 3.49Å; M284-F317 VanDerWaalsContact CE-CZ 3.49Å; M284-F317 HydrophobicContact SD-CD2 4.05Å; M284-F317 HydrophobicContact SD-CE2 4.33Å
285	V	88.3	Confident	90.6	Very high	30 Å²	30	51.5 Å²	51.5	18%	0.182	27%	0.274	C	S	.	.	H	α-helix	trans	-59.9	-49.5	171.6	172.7	0	0	0	0	109.9	R259 L281 R282 A287 N288 L290	R259-V285 VanDerWaalsContact O-CG1 3.27Å; R259-V285 WeakPolarHBondContact O-CG1 3.4Å; L281-V285 WeakPolarHBondContact O-CG2 3.4Å; L281-V285 PolarHBondContact O-N 3.18Å; R282-V285 PolarHBondContact O-N 3.14Å; V285-A287 VanDerWaalsContact C-N 3.26Å; V285-A287 PolarHBondContact O-N 3.41Å; V285-N288 PolarHBondContact O-N 3.25Å; V285-N288 VanDerWaalsContact O-N 3.16Å; V285-L290 HydrophobicContact CG2-CD1 3.84Å
286	S	89.3	Confident	91.3	Very high	98 Å²	98	52.2 Å²	52.2	69%	0.685	28%	0.281	S	S	*	.	H	α-helix	trans	-64.3	-29.8	179.9	-60.9	0	0	0	0	113.7	R282 Q283 N288	R282-S286 PolarHBondContact O-N 3.28Å; R282-S286 PolarHBondContact O-OG 3.35Å; Q283-S286 PolarHBondContact O-N 2.89Å; S286-N288 VanDerWaalsContact C-N 3.34Å
287	A	91.3	Very high	91.8	Very high	43 Å²	43	53.4 Å²	53.4	36%	0.355	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	9.5	178.4	0	0	0	0	0	113.3	W279 Q283 M284 V285 R289	W279-A287 HydrophobicContact CH2-CB 4.29Å; W279-A287 HydrophobicContact CZ3-CB 3.98Å; Q283-A287 WeakPolarHBondContact O-CB 3.46Å; Q283-A287 PolarHBondContact O-N 2.81Å; M284-A287 CarbonylContact O-C 3.46Å; M284-A287 PolarHBondContact O-N 3.39Å; V285-A287 VanDerWaalsContact C-N 3.26Å; V285-A287 PolarHBondContact O-N 3.41Å; A287-R289 HydrophobicContact CB-CG 4.18Å; A287-R289 PolarHBondContact O-N 2.62Å
288	N	92.8	Very high	92.1	Very high	63 Å²	63	49 Å²	49	34%	0.337	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	32.1	-178.5	-63.7	-18.9	0	0	0	114.6	I257 M284 V285 S286 Y291 S467	I257-N288 HydrophobicContact CD1-CB 3.52Å; I257-N288 VanDerWaalsContact CD1-CG 3.41Å; I257-N288 WeakPolarHBondContact CD1-OD1 3.39Å; M284-N288 PolarHBondContact O-N 2.91Å; M284-N288 VanDerWaalsContact O-N 3.16Å; V285-N288 PolarHBondContact O-N 3.25Å; V285-N288 VanDerWaalsContact O-N 3.16Å; S286-N288 VanDerWaalsContact C-N 3.34Å; N288-Y291 WeakPolarHBondContact O-CE2 3.49Å; N288-Y291 PolarHBondContact O-OH 2.89Å; N288-Y291 VanDerWaalsContact O-OH 3.06Å; N288-S467 PolarHBondContact ND2-OG 3.05Å; N288-S467 VanDerWaalsContact ND2-OG 3.14Å
289	R	93.2	Very high	92.4	Very high	46 Å²	46	48.6 Å²	48.6	17%	0.174	24%	0.243	C	C	.	.			trans	-96.4	-4	-177.5	-68.7	-174.7	172.3	-99.1	8.8	114.7	M284 A287 F317 Y318 E320	M284-R289 HydrophobicContact CB-CB 4.18Å; M284-R289 PolarHBondContact O-N 2.87Å; A287-R289 HydrophobicContact CB-CG 4.18Å; A287-R289 PolarHBondContact O-N 2.62Å; R289-F317 HydrophobicContact CB-CD2 4.25Å; R289-F317 HydrophobicContact CB-CE2 4.18Å; R289-F317 WeakPolarHBondContact O-CA 3.46Å; R289-Y318 PolarHBondContact NH1-O 2.96Å; R289-Y318 VanDerWaalsContact NH1-O 3.1Å; R289-Y318 PolarHBondContact O-N 3.19Å; R289-E320 IonicContact CZ-OE1 3.38Å; R289-E320 IonicContact CZ-OE2 3.21Å; R289-E320 IonicContact NE-OE1 3.86Å; R289-E320 IonicContact NH1-OE1 3.2Å; R289-E320 PolarHBondContact NH1-OE1 2.77Å; R289-E320 IonicContact NH1-OE2 2.66Å; R289-E320 PolarHBondContact NH1-OE2 2.71Å; R289-E320 IonicContact NH2-OE1 2.72Å; R289-E320 PolarHBondContact NH2-OE1 2.79Å; R289-E320 IonicContact NH2-OE2 3.42Å; R289-E320 PolarHBondContact NH2-OE2 2.77Å
290	L	94.5	Very high	92.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.4	177.4	-69.8	175.3	0	0	0	111.2	C258 L261 L281 M284 V285 I315 F316 F317 I327	C258-L290 HydrophobicContact CB-CB 3.61Å; C258-L290 VanDerWaalsContact CB-O 3.24Å; C258-L290 WeakPolarHBondContact CB-O 3.42Å; C258-L290 PolarHBondContact N-O 2.93Å; L261-L290 HydrophobicContact CD1-CD1 4.48Å; L281-L290 HydrophobicContact CD2-CD1 4.09Å; M284-L290 HydrophobicContact CB-CD1 3.87Å; M284-L290 HydrophobicContact CB-CD2 4.37Å; M284-L290 HydrophobicContact CB-CG 3.7Å; M284-L290 HydrophobicContact SD-CD1 4.46Å; M284-L290 HydrophobicContact SD-CD2 3.89Å; M284-L290 HydrophobicContact SD-CG 4.22Å; V285-L290 HydrophobicContact CG2-CD1 3.84Å; L290-I315 HydrophobicContact CD1-CD1 4.25Å; L290-I315 HydrophobicContact CD2-CD1 4.25Å; L290-I315 HydrophobicContact CD2-CG1 4.3Å; L290-F316 WeakPolarHBondContact CA-O 3.28Å; L290-F317 HydrophobicContact CD2-CB 4.32Å; L290-I327 HydrophobicContact CD2-CD1 3.81Å
291	Y	96.6	Very high	93.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.5	-179.3	-67.7	-86.8	0	0	0	110.7	I255 Q256 I257 N288 I315 F316 L324 V462 S467 L468	I255-Y291 HydrophobicContact CG1-CD1 4.4Å; Q256-Y291 CarbonylContact O-C 3.52Å; Q256-Y291 VanDerWaalsContact O-CA 3.24Å; Q256-Y291 WeakPolarHBondContact O-CA 3.47Å; Q256-Y291 WeakPolarHBondContact O-CD1 3.34Å; I257-Y291 HydrophobicContact CB-CD1 4.38Å; I257-Y291 HydrophobicContact CB-CE1 4.06Å; I257-Y291 HydrophobicContact CG1-CE1 4.22Å; N288-Y291 WeakPolarHBondContact O-CE2 3.49Å; N288-Y291 PolarHBondContact O-OH 2.89Å; N288-Y291 VanDerWaalsContact O-OH 3.06Å; Y291-I315 CarbonylContact O-C 3.43Å; Y291-I315 WeakPolarHBondContact O-CA 3.48Å; Y291-F316 PolarHBondContact N-O 3.21Å; Y291-F316 PolarHBondContact O-N 3.03Å; Y291-L324 HydrophobicContact CD2-CD1 3.73Å; Y291-L324 HydrophobicContact CG-CD1 4.11Å; Y291-V462 HydrophobicContact CD1-CG1 4.24Å; Y291-V462 HydrophobicContact CE1-CG1 3.94Å; Y291-S467 PolarHBondContact OH-O 2.97Å; Y291-L468 HydrophobicContact CD1-CD2 4.3Å; Y291-L468 HydrophobicContact CE1-CB 4.33Å; Y291-L468 HydrophobicContact CE1-CD2 3.95Å; Y291-L468 HydrophobicContact CE2-CB 4.44Å; Y291-L468 HydrophobicContact CE2-CD1 4.22Å; Y291-L468 WeakPolarHBondContact OH-CB 3.29Å
292	L	96.9	Very high	93.8	Very high	15 Å²	15	46.4 Å²	46.4	8%	0.079	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	143.2	178.9	-64.6	174.7	0	0	0	110.4	Q256 C258 P262 F265 L313 A314 I315	Q256-L292 HydrophobicContact CG-CB 4.15Å; Q256-L292 WeakPolarHBondContact CG-O 3.41Å; Q256-L292 PolarHBondContact N-O 2.9Å; Q256-L292 PolarHBondContact O-N 3.49Å; C258-L292 HydrophobicContact CB-CD1 4.2Å; C258-L292 HydrophobicContact CB-CD2 4.43Å; C258-L292 HydrophobicContact CB-CG 3.84Å; P262-L292 HydrophobicContact CG-CD1 4.1Å; P262-L292 HydrophobicContact CG-CD2 4.04Å; F265-L292 HydrophobicContact CE2-CD2 4.3Å; L292-L313 HydrophobicContact CD2-CD1 4.33Å; L292-A314 WeakPolarHBondContact CA-O 3.21Å; L292-I315 HydrophobicContact CD2-CB 3.89Å; L292-I315 HydrophobicContact CD2-CD1 4.15Å; L292-I315 HydrophobicContact CD2-CG1 3.97Å
293	L	97.3	Very high	94.5	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	109.6	164.3	-172.3	71.9	0	0	0	107.7	T254 I255 F295 L313 A314 F316 V358	T254-L293 WeakPolarHBondContact OG1-CD1 3.23Å; I255-L293 HydrophobicContact CD1-CB 4.32Å; L293-F295 HydrophobicContact CD1-CE2 3.95Å; L293-F295 HydrophobicContact CD1-CZ 3.95Å; L293-F295 HydrophobicContact CD2-CD2 4.37Å; L293-F295 HydrophobicContact CD2-CE2 3.52Å; L293-F295 HydrophobicContact CD2-CZ 4.23Å; L293-F295 HydrophobicContact CG-CD2 4.14Å; L293-F295 HydrophobicContact CG-CE2 3.48Å; L293-F295 VanDerWaalsContact CG-CE2 3.48Å; L293-F295 HydrophobicContact CG-CZ 4.01Å; L293-L313 WeakPolarHBondContact O-CA 3.25Å; L293-A314 HydrophobicContact CB-CB 4.29Å; L293-A314 PolarHBondContact N-O 2.92Å; L293-A314 PolarHBondContact O-N 3.49Å; L293-F316 HydrophobicContact CB-CE2 3.77Å; L293-F316 HydrophobicContact CD2-CE2 4.26Å; L293-F316 HydrophobicContact CD2-CZ 4.39Å; L293-V358 HydrophobicContact CD2-CG1 3.56Å
294	D	95.9	Very high	94.8	Very high	61 Å²	61	35.9 Å²	35.9	33%	0.326	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	104.1	-169.9	-174.5	-33.2	0	0	0	111.3	H296 L313 R333	D294-H296 WeakPolarHBondContact OD1-CB 3.49Å; D294-H296 PolarHBondContact OD1-N 3.43Å; D294-L313 HydrophobicContact CB-CD1 4Å; D294-R333 IonicContact OD1-CZ 3.39Å; D294-R333 IonicContact OD1-NH1 3.32Å; D294-R333 PolarHBondContact OD1-NH1 3.36Å; D294-R333 IonicContact OD1-NH2 2.91Å; D294-R333 PolarHBondContact OD1-NH2 2.64Å; D294-R333 IonicContact OD2-CZ 2.62Å; D294-R333 IonicContact OD2-NH1 3.33Å; D294-R333 PolarHBondContact OD2-NH1 2.91Å; D294-R333 IonicContact OD2-NH2 3.86Å; D294-R333 PolarHBondContact OD2-NH2 3.49Å
295	F	97.1	Very high	95.1	Very high	2 Å²	2	48 Å²	48	1%	0.009	26%	0.259	C	S	.	.			trans	-97.8	31.3	175.3	-70	-66.9	0	0	0	114.1	T254 L293 I297 M298 A311 P312 A361 D362 H365	T254-F295 HydrophobicContact CG2-CE1 4.16Å; T254-F295 HydrophobicContact CG2-CZ 4.39Å; L293-F295 HydrophobicContact CD1-CE2 3.95Å; L293-F295 HydrophobicContact CD1-CZ 3.95Å; L293-F295 HydrophobicContact CD2-CD2 4.37Å; L293-F295 HydrophobicContact CD2-CE2 3.52Å; L293-F295 HydrophobicContact CD2-CZ 4.23Å; L293-F295 HydrophobicContact CG-CD2 4.14Å; L293-F295 HydrophobicContact CG-CE2 3.48Å; L293-F295 VanDerWaalsContact CG-CE2 3.48Å; L293-F295 HydrophobicContact CG-CZ 4.01Å; F295-I297 PolarHBondContact O-N 2.86Å; F295-M298 HydrophobicContact CB-CG 4.25Å; F295-M298 HydrophobicContact CB-SD 4.41Å; F295-M298 HydrophobicContact CD1-CE 3.83Å; F295-M298 HydrophobicContact CE1-CE 4.39Å; F295-M298 HydrophobicContact CG-CE 4.48Å; F295-M298 WeakPolarHBondContact O-CB 3.33Å; F295-M298 PolarHBondContact O-N 3.19Å; F295-A311 WeakPolarHBondContact O-CB 3.34Å; F295-P312 HydrophobicContact CB-CG 4.25Å; F295-P312 HydrophobicContact CD2-CG 3.99Å; F295-P312 PolarHBondContact N-O 3.01Å; F295-A361 HydrophobicContact CB-CB 4.22Å; F295-A361 HydrophobicContact CD2-CB 3.84Å; F295-A361 HydrophobicContact CE2-CB 4.32Å; F295-A361 HydrophobicContact CG-CB 3.94Å; F295-D362 HydrophobicContact CE1-CB 4.48Å; F295-D362 HydrophobicContact CE2-CB 3.94Å; F295-D362 VanDerWaalsContact CZ-CA 3.45Å; F295-D362 HydrophobicContact CZ-CB 3.59Å; F295-D362 VanDerWaalsContact CZ-OD1 3.26Å; F295-D362 WeakPolarHBondContact CZ-OD1 3.28Å; F295-H365 HydrophobicContact CD1-CB 4.2Å; F295-H365 HydrophobicContact CE1-CB 3.67Å; F295-H365 AromaticContact CE1-CG 3.87Å
296	H	95.7	Very high	95.2	Very high	100 Å²	100	50.1 Å²	50.1	46%	0.463	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-55.3	-27.7	177.2	-175.4	60.7	0	0	0	113.1	D294 M298 Q299	D294-H296 WeakPolarHBondContact OD1-CB 3.49Å; D294-H296 PolarHBondContact OD1-N 3.43Å; H296-M298 PolarHBondContact O-N 3.43Å; H296-Q299 VanDerWaalsContact O-CB 3.32Å; H296-Q299 WeakPolarHBondContact O-CB 3.5Å; H296-Q299 PolarHBondContact O-N 3.47Å
297	I	97.1	Very high	95.4	Very high	25 Å²	25	47.5 Å²	47.5	13%	0.128	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-55.6	-21.8	175.1	-162.3	169.7	0	0	0	113.2	F295 L437 R440 A441	F295-I297 PolarHBondContact O-N 2.86Å; I297-L437 HydrophobicContact CD1-CD1 4.08Å; I297-L437 HydrophobicContact CG1-CD1 3.92Å; I297-L437 HydrophobicContact CG2-CD1 4.09Å; I297-R440 HydrophobicContact CD1-CB 4.17Å; I297-R440 HydrophobicContact CG1-CB 3.91Å; I297-R440 WeakPolarHBondContact O-CD 3.22Å; I297-R440 PolarHBondContact O-NH1 3.28Å; I297-A441 HydrophobicContact CD1-CB 4Å
298	M	96.1	Very high	95.6	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-86.8	-5.4	179.4	-57.3	-158.9	175.9	0	0	115	F295 H296 G300 L301 L309 A311 A361 C364 H365	F295-M298 HydrophobicContact CB-CG 4.25Å; F295-M298 HydrophobicContact CB-SD 4.41Å; F295-M298 HydrophobicContact CD1-CE 3.83Å; F295-M298 HydrophobicContact CE1-CE 4.39Å; F295-M298 HydrophobicContact CG-CE 4.48Å; F295-M298 WeakPolarHBondContact O-CB 3.33Å; F295-M298 PolarHBondContact O-N 3.19Å; H296-M298 PolarHBondContact O-N 3.43Å; M298-G300 PolarHBondContact O-N 3.28Å; M298-G300 VanDerWaalsContact O-N 3.15Å; M298-L301 HydrophobicContact CB-CD1 4.01Å; M298-L301 HydrophobicContact CG-CD1 4.19Å; M298-L301 VanDerWaalsContact O-CG 3.3Å; M298-L301 WeakPolarHBondContact O-CG 3.27Å; M298-L301 PolarHBondContact O-N 3.45Å; M298-L301 VanDerWaalsContact O-N 3.16Å; M298-L309 HydrophobicContact CB-CD2 4.31Å; M298-L309 HydrophobicContact SD-CD2 4Å; M298-A311 HydrophobicContact CB-CB 4.29Å; M298-A361 HydrophobicContact CE-CB 4.29Å; M298-A361 WeakPolarHBondContact CE-O 3.26Å; M298-A361 HydrophobicContact SD-CB 3.66Å; M298-C364 HydrophobicContact CE-CB 4.17Å; M298-H365 HydrophobicContact CE-CB 3.47Å; M298-H365 VanDerWaalsContact CE-CB 3.47Å
299	Q	95.2	Very high	95.6	Very high	69 Å²	69	48 Å²	48	32%	0.322	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	123.1	-175.8	-174.2	63.4	38.1	0	0	111.3	H296 L301 A311 R440	H296-Q299 VanDerWaalsContact O-CB 3.32Å; H296-Q299 WeakPolarHBondContact O-CB 3.5Å; H296-Q299 PolarHBondContact O-N 3.47Å; Q299-L301 VanDerWaalsContact C-N 3.29Å; Q299-L301 PolarHBondContact O-N 2.88Å; Q299-A311 HydrophobicContact CB-CB 4.1Å; Q299-R440 PolarHBondContact O-NH1 2.63Å; Q299-R440 PolarHBondContact O-NH2 3.16Å
300	G	94.9	Very high	95.6	Very high	59 Å²	59	46.3 Å²	46.3	61%	0.608	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	24.3	176.5	0	0	0	0	0	115	M298	M298-G300 PolarHBondContact O-N 3.28Å; M298-G300 VanDerWaalsContact O-N 3.15Å
301	L	97.5	Very high	95.6	Very high	15 Å²	15	46.5 Å²	46.5	8%	0.079	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-67.5	142.2	169.2	-68	-179.1	0	0	0	110.8	M298 Q299 C303 L309 L429 Q436 L437	M298-L301 HydrophobicContact CB-CD1 4.01Å; M298-L301 HydrophobicContact CG-CD1 4.19Å; M298-L301 VanDerWaalsContact O-CG 3.3Å; M298-L301 WeakPolarHBondContact O-CG 3.27Å; M298-L301 PolarHBondContact O-N 3.45Å; M298-L301 VanDerWaalsContact O-N 3.16Å; Q299-L301 VanDerWaalsContact C-N 3.29Å; Q299-L301 PolarHBondContact O-N 2.88Å; L301-C303 PolarHBondContact O-N 2.91Å; L301-L309 HydrophobicContact CB-CD2 4.49Å; L301-L309 HydrophobicContact CD1-CD2 4.35Å; L301-L429 HydrophobicContact CB-CD2 3.86Å; L301-L429 HydrophobicContact CD1-CD1 4.5Å; L301-L429 HydrophobicContact CD1-CD2 3.93Å; L301-Q436 HydrophobicContact CD2-CB 3.46Å; L301-Q436 VanDerWaalsContact CD2-CB 3.46Å; L301-L437 HydrophobicContact CD1-CB 3.88Å; L301-L437 HydrophobicContact CD1-CD1 4.24Å; L301-L437 HydrophobicContact CD1-CD2 4.11Å; L301-L437 HydrophobicContact CD1-CG 4.3Å; L301-L437 HydrophobicContact CD2-CB 4.19Å
302	S	98.1	Very high	95.6	Very high	41 Å²	41	46.5 Å²	46.5	29%	0.287	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-72.9	126.6	176	175.9	0	0	0	0	111.4	S430 G433	S302-S430 WeakPolarHBondContact CB-OG 3.4Å; S302-S430 PolarHBondContact O-N 3.42Å; S302-S430 PolarHBondContact O-OG 3.49Å; S302-S430 PolarHBondContact OG-OG 2.87Å; S302-G433 VanDerWaalsContact O-CA 3.27Å; S302-G433 WeakPolarHBondContact O-CA 3.41Å
303	C	98	Very high	95.5	Very high	26 Å²	26	46.2 Å²	46.2	18%	0.176	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-99.3	168	174.8	-60.8	0	0	0	0	111.4	L301 R307 L309	L301-C303 PolarHBondContact O-N 2.91Å; C303-R307 HydrophobicContact CB-CB 3.95Å; C303-R307 VanDerWaalsContact CB-O 3.23Å; C303-R307 WeakPolarHBondContact CB-O 3.46Å; C303-L309 WeakPolarHBondContact SG-CB 3.46Å
304	K	96.7	Very high	95.4	Very high	58 Å²	58	46.2 Å²	46.2	25%	0.252	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-61.5	161.9	168.6	-71	174.4	179	161.2	0	111.1	G306 R307 S424 R425 I427 Q428	K304-G306 PolarHBondContact O-N 3.24Å; K304-R307 HydrophobicContact CB-CB 4.33Å; K304-R307 HydrophobicContact CB-CG 3.87Å; K304-R307 WeakPolarHBondContact O-CB 3.33Å; K304-R307 PolarHBondContact O-N 3.21Å; K304-S424 WeakPolarHBondContact CE-O 3.37Å; K304-S424 PolarHBondContact NZ-O 3.15Å; K304-R425 PolarHBondContact NZ-O 3.08Å; K304-I427 WeakPolarHBondContact CD-O 3.35Å; K304-I427 WeakPolarHBondContact CE-O 3.32Å; K304-I427 PolarHBondContact NZ-O 3.41Å; K304-Q428 PolarHBondContact N-O 2.74Å
305	R	94	Very high	95.4	Very high	255 Å²	255	43.3 Å²	43.3	96%	0.962	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	131.3	178.7	-174.1	178.5	178.4	178.8	-1.2	110.1	R307	R305-R307 PolarHBondContact O-N 2.97Å
306	G	91.6	Very high	95.3	Very high	74 Å²	74	43.2 Å²	43.2	76%	0.763	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.8	10.9	-179.2	0	0	0	0	0	114.9	K304	K304-G306 PolarHBondContact O-N 3.24Å
307	R	94	Very high	95.2	Very high	43 Å²	43	38.5 Å²	38.5	16%	0.162	21%	0.213	C	C	.	.			trans	-114	144.9	178.5	-60.4	-58.3	-175.5	155.3	4	110.7	C303 K304 R305 Q428 S600 L601	C303-R307 HydrophobicContact CB-CB 3.95Å; C303-R307 VanDerWaalsContact CB-O 3.23Å; C303-R307 WeakPolarHBondContact CB-O 3.46Å; K304-R307 HydrophobicContact CB-CB 4.33Å; K304-R307 HydrophobicContact CB-CG 3.87Å; K304-R307 WeakPolarHBondContact O-CB 3.33Å; K304-R307 PolarHBondContact O-N 3.21Å; R305-R307 PolarHBondContact O-N 2.97Å; R307-Q428 HydrophobicContact CB-CG 4.39Å; R307-S600 PolarHBondContact NH1-OG 3.17Å; R307-L601 PolarHBondContact NH1-O 3.27Å
308	E	94	Very high	95.1	Very high	84 Å²	84	38.1 Å²	38.1	39%	0.393	21%	0.21	S	C	.	.			trans	-118.5	160	173.1	-68.1	-176.9	-148	0	0	111	W357 Q428 S604 P605	E308-W357 HydrophobicContact CB-CH2 4.35Å; E308-W357 WeakPolarHBondContact O-CZ3 3.28Å; E308-Q428 WeakPolarHBondContact O-CG 3.43Å; E308-Q428 PolarHBondContact O-NE2 3.01Å; E308-S604 PolarHBondContact OE1-OG 2.75Å; E308-P605 VanDerWaalsContact OE2-CD 3.27Å; E308-P605 WeakPolarHBondContact OE2-CD 3.41Å
309	L	94	Very high	94.8	Very high	33 Å²	33	38.1 Å²	38.1	17%	0.173	21%	0.21	C	C	.	.			trans	-142.5	136.6	173.1	-177.7	68.2	0	0	0	109.3	M298 L301 C303 L360 Q428 L429	M298-L309 HydrophobicContact CB-CD2 4.31Å; M298-L309 HydrophobicContact SD-CD2 4Å; L301-L309 HydrophobicContact CB-CD2 4.49Å; L301-L309 HydrophobicContact CD1-CD2 4.35Å; C303-L309 WeakPolarHBondContact SG-CB 3.46Å; L309-L360 HydrophobicContact CD1-CD2 4Å; L309-L360 HydrophobicContact CD1-CG 4.01Å; L309-Q428 HydrophobicContact CB-CG 4.37Å; L309-Q428 HydrophobicContact CD1-CG 4.38Å; L309-L429 HydrophobicContact CD2-CD2 3.55Å; L309-L429 HydrophobicContact CD2-CG 4.46Å
310	C	93	Very high	94.5	Very high	10 Å²	10	39.6 Å²	39.6	7%	0.068	22%	0.217	C	C	.	.			trans	-89.6	163	174.6	-66	0	0	0	0	111.6	P312 L331 P605	C310-P312 WeakPolarHBondContact O-CD 3.3Å; C310-L331 HydrophobicContact CB-CB 4.41Å; C310-L331 WeakPolarHBondContact CB-O 3.21Å; C310-P605 WeakPolarHBondContact SG-CB 2.97Å; C310-P605 WeakPolarHBondContact SG-CG 3.37Å
311	A	94.6	Very high	94.2	Very high	3 Å²	3	44.4 Å²	44.4	3%	0.025	22%	0.221	C	C	.	.			trans	-114.1	66	166	0	0	0	0	0	109.6	F295 M298 Q299 R333	F295-A311 WeakPolarHBondContact O-CB 3.34Å; M298-A311 HydrophobicContact CB-CB 4.29Å; Q299-A311 HydrophobicContact CB-CB 4.1Å; A311-R333 PolarHBondContact O-NE 3.45Å; A311-R333 VanDerWaalsContact O-NE 3.14Å
312	P	95.5	Very high	93.7	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	24%	0.242	C	C	.	.			trans	-64.2	154	-164.4	22.9	-30.5	0	0	0	112.7	F295 C310 Q330 L331 R333 V358 A361	F295-P312 HydrophobicContact CB-CG 4.25Å; F295-P312 HydrophobicContact CD2-CG 3.99Å; F295-P312 PolarHBondContact N-O 3.01Å; C310-P312 WeakPolarHBondContact O-CD 3.3Å; P312-Q330 CarbonylContact C-O 3.56Å; P312-Q330 VanDerWaalsContact CA-O 3.29Å; P312-Q330 WeakPolarHBondContact CA-O 3.49Å; P312-L331 HydrophobicContact CB-CD2 4.06Å; P312-R333 PolarHBondContact O-NH2 3.28Å; P312-V358 HydrophobicContact CB-CG2 3.86Å; P312-V358 HydrophobicContact CG-CG2 4.17Å; P312-A361 HydrophobicContact CG-CB 3.61Å
313	L	95.4	Very high	93.3	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.042	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	117.7	165.9	-177.3	61.4	0	0	0	107.3	P262 F265 L292 L293 D294 Q330	P262-L313 HydrophobicContact CB-CD2 4.02Å; P262-L313 HydrophobicContact CG-CD2 4Å; F265-L313 HydrophobicContact CD2-CD2 4.45Å; F265-L313 HydrophobicContact CE2-CD2 3.63Å; F265-L313 HydrophobicContact CE2-CG 3.68Å; F265-L313 HydrophobicContact CZ-CB 4.5Å; F265-L313 HydrophobicContact CZ-CD2 4.15Å; F265-L313 HydrophobicContact CZ-CG 3.96Å; L292-L313 HydrophobicContact CD2-CD1 4.33Å; L293-L313 WeakPolarHBondContact O-CA 3.25Å; D294-L313 HydrophobicContact CB-CD1 4Å; L313-Q330 HydrophobicContact CB-CB 4.46Å; L313-Q330 PolarHBondContact N-O 3.31Å; L313-Q330 PolarHBondContact O-N 2.87Å
314	A	95.7	Very high	93.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.4	175.3	0	0	0	0	0	109.8	L292 L293 F316 A328 I329 V358	L292-A314 WeakPolarHBondContact CA-O 3.21Å; L293-A314 HydrophobicContact CB-CB 4.29Å; L293-A314 PolarHBondContact N-O 2.92Å; L293-A314 PolarHBondContact O-N 3.49Å; A314-F316 HydrophobicContact CB-CD2 4.45Å; A314-F316 HydrophobicContact CB-CE2 3.65Å; A314-F316 HydrophobicContact CB-CZ 4.23Å; A314-A328 WeakPolarHBondContact CA-O 3.35Å; A314-I329 HydrophobicContact CB-CG1 3.97Å; A314-V358 HydrophobicContact CB-CG2 4.36Å
315	I	95.2	Very high	92.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	138.1	174.4	-174.6	166.6	0	0	0	109.5	L261 F265 L290 Y291 L292 I327 A328	L261-I315 HydrophobicContact CD1-CD1 3.67Å; F265-I315 HydrophobicContact CD1-CG2 3.93Å; F265-I315 HydrophobicContact CD2-CB 4.12Å; F265-I315 HydrophobicContact CD2-CD1 4.21Å; F265-I315 HydrophobicContact CD2-CG2 3.96Å; F265-I315 HydrophobicContact CE1-CG2 3.8Å; F265-I315 HydrophobicContact CE2-CB 3.82Å; F265-I315 HydrophobicContact CE2-CG2 3.8Å; F265-I315 HydrophobicContact CG-CG2 4.03Å; F265-I315 HydrophobicContact CZ-CB 4.12Å; F265-I315 HydrophobicContact CZ-CG2 3.73Å; L290-I315 HydrophobicContact CD1-CD1 4.25Å; L290-I315 HydrophobicContact CD2-CD1 4.25Å; L290-I315 HydrophobicContact CD2-CG1 4.3Å; Y291-I315 CarbonylContact O-C 3.43Å; Y291-I315 WeakPolarHBondContact O-CA 3.48Å; L292-I315 HydrophobicContact CD2-CB 3.89Å; L292-I315 HydrophobicContact CD2-CD1 4.15Å; L292-I315 HydrophobicContact CD2-CG1 3.97Å; I315-I327 HydrophobicContact CB-CG1 4.45Å; I315-I327 HydrophobicContact CG1-CD1 4.28Å; I315-I327 HydrophobicContact CG1-CG1 4.34Å; I315-I327 HydrophobicContact CG2-CD1 4.3Å; I315-I327 HydrophobicContact CG2-CG1 3.68Å; I315-I327 PolarHBondContact O-N 2.82Å; I315-A328 HydrophobicContact CG2-CB 3.66Å; I315-A328 PolarHBondContact N-O 3.3Å; I315-A328 PolarHBondContact O-N 2.9Å
316	F	95.3	Very high	93	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.6	-176.6	-63	-106	0	0	0	110.1	F242 R246 I255 L290 Y291 L293 A314 L324 K325 P326	F242-F316 AromaticContact CD1-CE1 3.78Å; F242-F316 HydrophobicContact CD1-CE1 3.78Å; F242-F316 HydrophobicContact CD1-CZ 4.13Å; F242-F316 AromaticContact CE1-CE1 3.73Å; F242-F316 HydrophobicContact CE1-CE1 3.73Å; F242-F316 AromaticContact CE1-CZ 3.6Å; F242-F316 HydrophobicContact CE1-CZ 3.6Å; F242-F316 HydrophobicContact CZ-CZ 4.47Å; R246-F316 HydrophobicContact CG-CE1 4.1Å; R246-F316 HydrophobicContact CG-CZ 4Å; I255-F316 HydrophobicContact CD1-CD2 3.91Å; I255-F316 HydrophobicContact CD1-CE2 4.23Å; I255-F316 HydrophobicContact CD1-CG 4.44Å; L290-F316 WeakPolarHBondContact CA-O 3.28Å; Y291-F316 PolarHBondContact N-O 3.21Å; Y291-F316 PolarHBondContact O-N 3.03Å; L293-F316 HydrophobicContact CB-CE2 3.77Å; L293-F316 HydrophobicContact CD2-CE2 4.26Å; L293-F316 HydrophobicContact CD2-CZ 4.39Å; A314-F316 HydrophobicContact CB-CD2 4.45Å; A314-F316 HydrophobicContact CB-CE2 3.65Å; A314-F316 HydrophobicContact CB-CZ 4.23Å; F316-L324 HydrophobicContact CB-CD1 3.62Å; F316-L324 HydrophobicContact CB-CD2 4.39Å; F316-L324 HydrophobicContact CB-CG 3.8Å; F316-L324 HydrophobicContact CD1-CD2 4.24Å; F316-L324 HydrophobicContact CD1-CG 3.96Å; F316-L324 HydrophobicContact CG-CD1 4.45Å; F316-L324 HydrophobicContact CG-CD2 4.39Å; F316-L324 HydrophobicContact CG-CG 4.15Å; F316-K325 CarbonylContact C-O 3.58Å; F316-K325 WeakPolarHBondContact CA-O 3.42Å; F316-P326 HydrophobicContact CD1-CB 4.03Å; F316-P326 HydrophobicContact CE1-CB 3.85Å; F316-P326 HydrophobicContact CE1-CG 4.46Å; F316-P326 HydrophobicContact CZ-CB 4.43Å
317	F	93.5	Very high	93.1	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.009	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131	173.3	167.2	-136.4	0	0	0	109.8	Y275 E277 M284 R289 L290 T319 K325 I327	Y275-F317 WeakPolarHBondContact O-CD1 2.97Å; E277-F317 HydrophobicContact CB-CE1 4.17Å; E277-F317 HydrophobicContact CB-CZ 4.17Å; E277-F317 HydrophobicContact CG-CE1 3.79Å; E277-F317 HydrophobicContact CG-CZ 4.2Å; E277-F317 WeakPolarHBondContact OE2-CZ 3.39Å; M284-F317 HydrophobicContact CE-CD1 4.01Å; M284-F317 HydrophobicContact CE-CD2 3.3Å; M284-F317 HydrophobicContact CE-CE1 3.89Å; M284-F317 HydrophobicContact CE-CE2 3.18Å; M284-F317 HydrophobicContact CE-CG 3.75Å; M284-F317 HydrophobicContact CE-CZ 3.49Å; M284-F317 VanDerWaalsContact CE-CZ 3.49Å; M284-F317 HydrophobicContact SD-CD2 4.05Å; M284-F317 HydrophobicContact SD-CE2 4.33Å; R289-F317 HydrophobicContact CB-CD2 4.25Å; R289-F317 HydrophobicContact CB-CE2 4.18Å; R289-F317 WeakPolarHBondContact O-CA 3.46Å; L290-F317 HydrophobicContact CD2-CB 4.32Å; F317-T319 HydrophobicContact CD1-CG2 3.83Å; F317-T319 HydrophobicContact CE1-CG2 3.73Å; F317-T319 HydrophobicContact CZ-CG2 4.4Å; F317-K325 PolarHBondContact N-O 3.49Å; F317-K325 PolarHBondContact O-N 2.89Å; F317-I327 HydrophobicContact CB-CD1 4.33Å; F317-I327 HydrophobicContact CB-CG2 3.62Å
318	Y	94	Very high	93.1	Very high	16 Å²	16	31.8 Å²	31.8	6%	0.063	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	103.8	170.1	-171.9	-120.8	0	0	0	110.7	R289 R322 Q323 L468 G469 N470	R289-Y318 PolarHBondContact NH1-O 2.96Å; R289-Y318 VanDerWaalsContact NH1-O 3.1Å; R289-Y318 PolarHBondContact O-N 3.19Å; Y318-R322 HydrophobicContact CE2-CB 4.19Å; Y318-R322 WeakPolarHBondContact CE2-O 3.35Å; Y318-R322 WeakPolarHBondContact OH-CA 3.45Å; Y318-R322 WeakPolarHBondContact OH-CB 3.47Å; Y318-R322 WeakPolarHBondContact OH-CG 3.37Å; Y318-Q323 WeakPolarHBondContact CA-O 3.38Å; Y318-L468 HydrophobicContact CD2-CD1 3.42Å; Y318-L468 VanDerWaalsContact CD2-CD1 3.42Å; Y318-L468 HydrophobicContact CE2-CD1 3.61Å; Y318-L468 HydrophobicContact CG-CD1 3.91Å; Y318-G469 PolarHBondContact OH-N 3.01Å; Y318-G469 VanDerWaalsContact OH-N 3.09Å; Y318-N470 PolarHBondContact OH-N 2.8Å
319	T	91.4	Very high	93.1	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.012	12%	0.123	C	C	.	.			trans	-71.1	165.1	-171.6	68	0	0	0	0	113.1	E277 F317 K321 R322 Q323 K325	E277-T319 WeakPolarHBondContact OE1-CB 3.5Å; F317-T319 HydrophobicContact CD1-CG2 3.83Å; F317-T319 HydrophobicContact CE1-CG2 3.73Å; F317-T319 HydrophobicContact CZ-CG2 4.4Å; T319-K321 PolarHBondContact O-N 2.76Å; T319-K321 PolarHBondContact OG1-N 3.45Å; T319-R322 PolarHBondContact O-N 2.79Å; T319-Q323 PolarHBondContact N-O 3.23Å; T319-Q323 PolarHBondContact OG1-N 3.28Å; T319-Q323 PolarHBondContact OG1-O 3.06Å; T319-K325 HydrophobicContact CG2-CD 3.86Å; T319-K325 HydrophobicContact CG2-CG 4.2Å
320	E	88	Confident	93.1	Very high	100 Å²	100	26.4 Å²	26.4	47%	0.467	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.2	170.3	-61.4	-56.8	161.8	0	0	112.8	E277 W279 R289 R322	E277-E320 WeakPolarHBondContact OE2-CG 3.13Å; E277-E320 PolarHBondContact OE2-N 2.92Å; W279-E320 WeakPolarHBondContact CZ2-OE1 3.06Å; W279-E320 PolarHBondContact NE1-OE1 3.44Å; R289-E320 IonicContact CZ-OE1 3.38Å; R289-E320 IonicContact CZ-OE2 3.21Å; R289-E320 IonicContact NE-OE1 3.86Å; R289-E320 IonicContact NH1-OE1 3.2Å; R289-E320 PolarHBondContact NH1-OE1 2.77Å; R289-E320 IonicContact NH1-OE2 2.66Å; R289-E320 PolarHBondContact NH1-OE2 2.71Å; R289-E320 IonicContact NH2-OE1 2.72Å; R289-E320 PolarHBondContact NH2-OE1 2.79Å; R289-E320 IonicContact NH2-OE2 3.42Å; R289-E320 PolarHBondContact NH2-OE2 2.77Å; E320-R322 PolarHBondContact O-N 3.04Å
321	K	87.9	Confident	93.1	Very high	161 Å²	161	26 Å²	26	70%	0.7	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	13.4	174.3	-62.8	-173.1	180	-177.4	0	113.6	T319 Q323	T319-K321 PolarHBondContact O-N 2.76Å; T319-K321 PolarHBondContact OG1-N 3.45Å; K321-Q323 VanDerWaalsContact C-N 3.27Å; K321-Q323 PolarHBondContact O-N 2.82Å
322	R	88	Confident	92.4	Very high	137 Å²	137	28.3 Å²	28.3	52%	0.517	13%	0.125	S	C	.	.	S	Bend	trans	59.8	34.6	179.2	-60.2	-179.8	70.6	-177.1	1.3	113.6	Y318 T319 E320 G469	Y318-R322 HydrophobicContact CE2-CB 4.19Å; Y318-R322 WeakPolarHBondContact CE2-O 3.35Å; Y318-R322 WeakPolarHBondContact OH-CA 3.45Å; Y318-R322 WeakPolarHBondContact OH-CB 3.47Å; Y318-R322 WeakPolarHBondContact OH-CG 3.37Å; T319-R322 PolarHBondContact O-N 2.79Å; E320-R322 PolarHBondContact O-N 3.04Å; R322-G469 VanDerWaalsContact NH2-C 3.31Å; R322-G469 PolarHBondContact NH2-O 3.1Å
323	Q	90.1	Very high	91.6	Very high	25 Å²	25	30.7 Å²	30.7	12%	0.117	13%	0.134	C	C	.	.			trans	-112.9	136.4	178	-65.6	168.7	-11.4	0	0	110.2	I240 Y318 T319 K321	I240-Q323 HydrophobicContact CG2-CB 4.24Å; I240-Q323 HydrophobicContact CG2-CG 3.97Å; Y318-Q323 WeakPolarHBondContact CA-O 3.38Å; T319-Q323 PolarHBondContact N-O 3.23Å; T319-Q323 PolarHBondContact OG1-N 3.28Å; T319-Q323 PolarHBondContact OG1-O 3.06Å; K321-Q323 VanDerWaalsContact C-N 3.27Å; K321-Q323 PolarHBondContact O-N 2.82Å
324	L	93.2	Very high	90.5	Very high	1 Å²	1	36 Å²	36	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	120.1	169.8	-166.9	67.5	0	0	0	108.5	G243 R246 I247 I255 Y291 F316 L468	G243-L324 WeakPolarHBondContact CA-O 3.4Å; R246-L324 HydrophobicContact CB-CD2 4.13Å; R246-L324 HydrophobicContact CG-CD2 4.32Å; I247-L324 HydrophobicContact CG2-CD2 4.32Å; I255-L324 HydrophobicContact CD1-CD2 4.15Å; I255-L324 HydrophobicContact CG1-CD2 4.15Å; Y291-L324 HydrophobicContact CD2-CD1 3.73Å; Y291-L324 HydrophobicContact CG-CD1 4.11Å; F316-L324 HydrophobicContact CB-CD1 3.62Å; F316-L324 HydrophobicContact CB-CD2 4.39Å; F316-L324 HydrophobicContact CB-CG 3.8Å; F316-L324 HydrophobicContact CD1-CD2 4.24Å; F316-L324 HydrophobicContact CD1-CG 3.96Å; F316-L324 HydrophobicContact CG-CD1 4.45Å; F316-L324 HydrophobicContact CG-CD2 4.39Å; F316-L324 HydrophobicContact CG-CG 4.15Å; L324-L468 HydrophobicContact CD1-CD1 4.37Å
325	K	93.5	Very high	89.2	Confident	76 Å²	76	37.2 Å²	37.2	33%	0.33	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.2	-179.2	-73.3	-174.6	130.8	-175.7	0	112	I240 F316 F317 T319	I240-K325 HydrophobicContact CG1-CG 4.47Å; F316-K325 CarbonylContact C-O 3.58Å; F316-K325 WeakPolarHBondContact CA-O 3.42Å; F317-K325 PolarHBondContact N-O 3.49Å; F317-K325 PolarHBondContact O-N 2.89Å; T319-K325 HydrophobicContact CG2-CD 3.86Å; T319-K325 HydrophobicContact CG2-CG 4.2Å
326	P	95	Very high	87.9	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.019	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	135.2	171.7	30.6	-38.5	0	0	0	110.5	D239 F242 F316 W351	D239-P326 HydrophobicContact CB-CG 4Å; D239-P326 VanDerWaalsContact O-CD 3.26Å; D239-P326 WeakPolarHBondContact O-CD 3.46Å; F242-P326 HydrophobicContact CD1-CB 3.91Å; F242-P326 HydrophobicContact CD1-CG 3.62Å; F242-P326 HydrophobicContact CE1-CB 3.95Å; F242-P326 HydrophobicContact CE1-CG 4.17Å; F316-P326 HydrophobicContact CD1-CB 4.03Å; F316-P326 HydrophobicContact CE1-CB 3.85Å; F316-P326 HydrophobicContact CE1-CG 4.46Å; F316-P326 HydrophobicContact CZ-CB 4.43Å; P326-W351 HydrophobicContact CB-CH2 3.96Å; P326-W351 HydrophobicContact CB-CZ2 3.73Å; P326-W351 HydrophobicContact CG-CH2 4.45Å; P326-W351 HydrophobicContact CG-CZ2 3.72Å
327	I	94	Very high	86.8	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	-22.6	177.6	68.4	176.8	0	0	0	113.1	L272 L276 L290 I315 F317 P344	L272-I327 HydrophobicContact CD1-CD1 4.31Å; L272-I327 HydrophobicContact CD2-CB 4.1Å; L272-I327 HydrophobicContact CD2-CD1 4.5Å; L272-I327 HydrophobicContact CD2-CG1 4.24Å; L272-I327 WeakPolarHBondContact CD2-O 3.47Å; L276-I327 HydrophobicContact CD2-CD1 4.11Å; L290-I327 HydrophobicContact CD2-CD1 3.81Å; I315-I327 HydrophobicContact CB-CG1 4.45Å; I315-I327 HydrophobicContact CG1-CD1 4.28Å; I315-I327 HydrophobicContact CG1-CG1 4.34Å; I315-I327 HydrophobicContact CG2-CD1 4.3Å; I315-I327 HydrophobicContact CG2-CG1 3.68Å; I315-I327 PolarHBondContact O-N 2.82Å; F317-I327 HydrophobicContact CB-CD1 4.33Å; F317-I327 HydrophobicContact CB-CG2 3.62Å; I327-P344 WeakPolarHBondContact O-CD 3.4Å
328	A	93.8	Very high	85.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	149.3	170.3	0	0	0	0	0	111.6	F265 L272 A314 I315 I341 I342 L343	F265-A328 HydrophobicContact CD1-CB 3.7Å; F265-A328 HydrophobicContact CE1-CB 3.52Å; L272-A328 HydrophobicContact CD2-CB 4.27Å; A314-A328 WeakPolarHBondContact CA-O 3.35Å; I315-A328 HydrophobicContact CG2-CB 3.66Å; I315-A328 PolarHBondContact N-O 3.3Å; I315-A328 PolarHBondContact O-N 2.9Å; A328-I341 HydrophobicContact CB-CG2 3.8Å; A328-I342 CarbonylContact C-O 3.47Å; A328-I342 WeakPolarHBondContact CA-O 3.44Å; A328-L343 HydrophobicContact CB-CD2 3.64Å
329	I	94.4	Very high	84.9	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	126.6	178.5	-63.9	173.1	0	0	0	109	A314 L331 I341 I342 W351 A354 K355 V358	A314-I329 HydrophobicContact CB-CG1 3.97Å; I329-L331 HydrophobicContact CG2-CD2 3.65Å; I329-L331 HydrophobicContact CG2-CG 4.22Å; I329-I341 CarbonylContact O-C 3.5Å; I329-I342 PolarHBondContact N-O 3.34Å; I329-I342 PolarHBondContact O-N 3.43Å; I329-W351 HydrophobicContact CB-CZ3 4.05Å; I329-W351 HydrophobicContact CD1-CE3 4.24Å; I329-W351 HydrophobicContact CD1-CH2 3.61Å; I329-W351 HydrophobicContact CD1-CZ2 4.35Å; I329-W351 HydrophobicContact CD1-CZ3 3.54Å; I329-W351 HydrophobicContact CG1-CH2 3.74Å; I329-W351 HydrophobicContact CG1-CZ3 3.67Å; I329-A354 HydrophobicContact CB-CB 4.22Å; I329-A354 HydrophobicContact CD1-CB 3.99Å; I329-A354 HydrophobicContact CG2-CB 4.08Å; I329-K355 HydrophobicContact CD1-CB 4.44Å; I329-K355 HydrophobicContact CD1-CG 3.68Å; I329-V358 HydrophobicContact CD1-CG2 4.05Å; I329-V358 HydrophobicContact CG1-CG2 4.32Å; I329-V358 HydrophobicContact CG2-CG2 3.61Å
330	Q	93.6	Very high	84.5	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.019	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	111.9	170	-175.9	176.3	16.5	0	0	108.7	S264 F265 P312 L313 N332 S335 I341	S264-Q330 VanDerWaalsContact CB-OE1 3.23Å; S264-Q330 PolarHBondContact OG-OE1 2.82Å; F265-Q330 HydrophobicContact CE1-CB 4.49Å; F265-Q330 HydrophobicContact CZ-CB 4.49Å; P312-Q330 CarbonylContact C-O 3.56Å; P312-Q330 VanDerWaalsContact CA-O 3.29Å; P312-Q330 WeakPolarHBondContact CA-O 3.49Å; L313-Q330 HydrophobicContact CB-CB 4.46Å; L313-Q330 PolarHBondContact N-O 3.31Å; L313-Q330 PolarHBondContact O-N 2.87Å; Q330-N332 WeakPolarHBondContact CG-O 3.16Å; Q330-N332 PolarHBondContact NE2-O 2.96Å; Q330-N332 VanDerWaalsContact NE2-O 3.1Å; Q330-S335 PolarHBondContact NE2-O 2.92Å; Q330-S335 PolarHBondContact NE2-OG 3.41Å; Q330-I341 HydrophobicContact CB-CG1 4.46Å
331	L	93	Very high	84.6	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.016	22%	0.224	C	C	.	.	S	Bend	trans	-79.7	-35.6	-179	-63.4	-175.5	0	0	0	112.6	C310 P312 I329 I342 W357 V358 P605 P606	C310-L331 HydrophobicContact CB-CB 4.41Å; C310-L331 WeakPolarHBondContact CB-O 3.21Å; P312-L331 HydrophobicContact CB-CD2 4.06Å; I329-L331 HydrophobicContact CG2-CD2 3.65Å; I329-L331 HydrophobicContact CG2-CG 4.22Å; L331-I342 HydrophobicContact CD1-CD1 4.17Å; L331-I342 HydrophobicContact CG-CD1 4.43Å; L331-W357 HydrophobicContact CD1-CB 4.06Å; L331-W357 HydrophobicContact CD1-CG 4.25Å; L331-W357 HydrophobicContact CD2-CB 3.71Å; L331-V358 HydrophobicContact CD2-CG2 4.43Å; L331-P605 HydrophobicContact CD1-CB 3.87Å; L331-P606 HydrophobicContact CD1-CG 3.68Å
332	N	80.9	Confident	84.8	Confident	50 Å²	50	37.8 Å²	37.8	27%	0.267	19%	0.191	S	C	.	.			trans	-119.6	114	177.6	-179.1	3.7	0	0	0	110.9	Q330 N334 S335 L607	Q330-N332 WeakPolarHBondContact CG-O 3.16Å; Q330-N332 PolarHBondContact NE2-O 2.96Å; Q330-N332 VanDerWaalsContact NE2-O 3.1Å; N332-N334 VanDerWaalsContact C-N 3.27Å; N332-N334 PolarHBondContact O-N 2.94Å; N332-N334 WeakPolarHBondContact OD1-CB 3.5Å; N332-N334 PolarHBondContact OD1-N 3.07Å; N332-S335 PolarHBondContact O-N 3.21Å; N332-S335 PolarHBondContact O-OG 3.44Å; N332-L607 HydrophobicContact CB-CD2 3.69Å
333	R	77.4	Confident	85	Confident	52 Å²	52	31.4 Å²	31.4	20%	0.196	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-13.5	-179	-61.3	-170.3	-169.4	-157.2	-0.7	114.4	D294 A311 P312 S335	D294-R333 IonicContact OD1-CZ 3.39Å; D294-R333 IonicContact OD1-NH1 3.32Å; D294-R333 PolarHBondContact OD1-NH1 3.36Å; D294-R333 IonicContact OD1-NH2 2.91Å; D294-R333 PolarHBondContact OD1-NH2 2.64Å; D294-R333 IonicContact OD2-CZ 2.62Å; D294-R333 IonicContact OD2-NH1 3.33Å; D294-R333 PolarHBondContact OD2-NH1 2.91Å; D294-R333 IonicContact OD2-NH2 3.86Å; D294-R333 PolarHBondContact OD2-NH2 3.49Å; A311-R333 PolarHBondContact O-NE 3.45Å; A311-R333 VanDerWaalsContact O-NE 3.14Å; P312-R333 PolarHBondContact O-NH2 3.28Å; R333-S335 PolarHBondContact O-N 3.1Å
334	N	72.4	Confident	85	Confident	120 Å²	120	31.3 Å²	31.3	64%	0.642	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-11.2	178.1	-61	-22	0	0	0	111.9	N332 N336	N332-N334 VanDerWaalsContact C-N 3.27Å; N332-N334 PolarHBondContact O-N 2.94Å; N332-N334 WeakPolarHBondContact OD1-CB 3.5Å; N332-N334 PolarHBondContact OD1-N 3.07Å; N334-N336 PolarHBondContact O-N 3.48Å
335	S	68.1	Low	84.8	Confident	25 Å²	25	35.1 Å²	35.1	18%	0.175	19%	0.193	C	C	.	.			trans	-75.3	109.8	171.7	75.6	0	0	0	0	109.4	Q330 N332 R333 D337	Q330-S335 PolarHBondContact NE2-O 2.92Å; Q330-S335 PolarHBondContact NE2-OG 3.41Å; N332-S335 PolarHBondContact O-N 3.21Å; N332-S335 PolarHBondContact O-OG 3.44Å; R333-S335 PolarHBondContact O-N 3.1Å; S335-D337 PolarHBondContact O-N 3.4Å
336	N	68.4	Low	84.5	Confident	150 Å²	150	32.6 Å²	32.6	80%	0.802	18%	0.183	S	C	*	.			trans	-80.8	12.2	167.4	-71.3	-22.5	0	0	0	112.2	M267 N334	M267-N336 WeakPolarHBondContact CE-O 3.35Å; N334-N336 PolarHBondContact O-N 3.48Å
337	D	71.4	Confident	84.2	Confident	91 Å²	91	36.2 Å²	36.2	49%	0.487	21%	0.206	S	C	.	.	S	Bend	trans	-107.7	143.4	179.8	-163.2	-19.9	0	0	0	110.5	S335 S339 G340	S335-D337 PolarHBondContact O-N 3.4Å; D337-S339 PolarHBondContact O-N 3.35Å; D337-S339 PolarHBondContact OD1-N 2.85Å; D337-S339 VanDerWaalsContact OD1-N 3.11Å; D337-G340 PolarHBondContact O-N 3.34Å
338	A	74.2	Confident	83.9	Confident	24 Å²	24	39.9 Å²	39.9	20%	0.198	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-60.1	-23	170.5	0	0	0	0	0	112.4	M267 V268 G340 I341	M267-A338 HydrophobicContact CB-CB 4.16Å; M267-A338 HydrophobicContact CE-CB 4.1Å; V268-A338 HydrophobicContact CG1-CB 3.95Å; A338-G340 PolarHBondContact O-N 3.15Å; A338-I341 PolarHBondContact O-N 2.8Å; A338-I341 VanDerWaalsContact O-N 3.11Å
339	S	73.3	Confident	83.5	Confident	21 Å²	21	40.9 Å²	40.9	15%	0.147	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-61.3	-23.9	176.7	78	0	0	0	0	113.8	D337 I341 D608 R609	D337-S339 PolarHBondContact O-N 3.35Å; D337-S339 PolarHBondContact OD1-N 2.85Å; D337-S339 VanDerWaalsContact OD1-N 3.11Å; S339-I341 VanDerWaalsContact C-N 3.31Å; S339-D608 WeakPolarHBondContact CB-OD1 3.31Å; S339-D608 WeakPolarHBondContact CB-OD2 3.47Å; S339-D608 PolarHBondContact OG-OD2 3.01Å; S339-R609 WeakPolarHBondContact O-CG 3.34Å; S339-R609 PolarHBondContact O-N 3.02Å
340	G	84.1	Confident	83.3	Confident	5 Å²	5	41.1 Å²	41.1	5%	0.052	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-85	1.7	176.7	0	0	0	0	0	114.8	D337 A338	D337-G340 PolarHBondContact O-N 3.34Å; A338-G340 PolarHBondContact O-N 3.15Å
341	I	90.6	Very high	83.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	117.5	179.6	-57.3	172	0	0	0	108.4	S264 F265 V268 A328 I329 Q330 A338 S339 L343 R609	S264-I341 VanDerWaalsContact C-CD1 3.45Å; S264-I341 WeakPolarHBondContact O-CD1 3.17Å; F265-I341 HydrophobicContact CD1-CD1 4.39Å; F265-I341 HydrophobicContact CD1-CG2 4.02Å; F265-I341 HydrophobicContact CE1-CG2 3.95Å; V268-I341 HydrophobicContact CG1-CB 4.21Å; V268-I341 HydrophobicContact CG1-CD1 3.91Å; V268-I341 HydrophobicContact CG1-CG2 4.29Å; V268-I341 HydrophobicContact CG2-CD1 4.04Å; V268-I341 HydrophobicContact CG2-CG2 3.97Å; A328-I341 HydrophobicContact CB-CG2 3.8Å; I329-I341 CarbonylContact O-C 3.5Å; Q330-I341 HydrophobicContact CB-CG1 4.46Å; A338-I341 PolarHBondContact O-N 2.8Å; A338-I341 VanDerWaalsContact O-N 3.11Å; S339-I341 VanDerWaalsContact C-N 3.31Å; I341-L343 HydrophobicContact CG2-CD2 4.18Å; I341-R609 PolarHBondContact O-NE 3.2Å; I341-R609 PolarHBondContact O-NH2 3.15Å
342	I	91.8	Very high	83.1	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	138.3	-179.6	-52.3	172	0	0	0	109.1	A328 I329 L331 D346 I350 W351 A354 P606	A328-I342 CarbonylContact C-O 3.47Å; A328-I342 WeakPolarHBondContact CA-O 3.44Å; I329-I342 PolarHBondContact N-O 3.34Å; I329-I342 PolarHBondContact O-N 3.43Å; L331-I342 HydrophobicContact CD1-CD1 4.17Å; L331-I342 HydrophobicContact CG-CD1 4.43Å; I342-D346 WeakPolarHBondContact CA-OD2 3.33Å; I342-D346 HydrophobicContact CG2-CB 4.21Å; I342-D346 WeakPolarHBondContact CG2-OD2 3.48Å; I342-I350 HydrophobicContact CD1-CG2 4.09Å; I342-I350 HydrophobicContact CG1-CG2 4.41Å; I342-I350 HydrophobicContact CG2-CG2 3.78Å; I342-W351 HydrophobicContact CB-CE3 4.49Å; I342-W351 HydrophobicContact CG2-CE3 3.84Å; I342-W351 HydrophobicContact CG2-CZ3 4.42Å; I342-W351 WeakPolarHBondContact O-CZ3 2.99Å; I342-A354 HydrophobicContact CB-CB 4.03Å; I342-A354 HydrophobicContact CD1-CB 3.6Å; I342-A354 HydrophobicContact CG1-CB 4.4Å; I342-A354 HydrophobicContact CG2-CB 3.94Å; I342-P606 HydrophobicContact CD1-CB 4.24Å; I342-P606 HydrophobicContact CD1-CG 3.84Å
343	L	92	Very high	83.7	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.016	23%	0.228	C	C	.	.			trans	-118.4	158.3	-176.3	-58.2	-179.5	0	0	0	111.8	V268 L272 A328 I341 T345 D346	V268-L343 HydrophobicContact CG2-CD2 4.44Å; L272-L343 HydrophobicContact CD2-CD2 3.73Å; A328-L343 HydrophobicContact CB-CD2 3.64Å; I341-L343 HydrophobicContact CG2-CD2 4.18Å; L343-T345 WeakPolarHBondContact CB-OG1 3.42Å; L343-T345 PolarHBondContact O-N 3.06Å; L343-T345 VanDerWaalsContact O-N 3.12Å; L343-D346 PolarHBondContact N-OD2 3Å; L343-D346 VanDerWaalsContact O-CB 3.31Å; L343-D346 WeakPolarHBondContact O-CB 3.24Å; L343-D346 PolarHBondContact O-N 3.25Å
344	P	90.6	Very high	84.5	Confident	24 Å²	24	37.2 Å²	37.2	16%	0.156	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.6	171	-20.3	28.5	0	0	0	114.8	Y275 I327 D346 W351	Y275-P344 HydrophobicContact CD1-CB 4.45Å; Y275-P344 HydrophobicContact CE1-CB 3.87Å; Y275-P344 HydrophobicContact CE1-CG 4.38Å; I327-P344 WeakPolarHBondContact O-CD 3.4Å; P344-D346 VanDerWaalsContact C-N 3.34Å; P344-W351 HydrophobicContact CB-CZ2 4.2Å; P344-W351 HydrophobicContact CG-CH2 3.96Å; P344-W351 HydrophobicContact CG-CZ2 3.6Å
345	T	87.9	Confident	85.5	Confident	80 Å²	80	31.7 Å²	31.7	49%	0.491	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-19.9	173.5	47.7	0	0	0	0	113.6	Y275 L343	Y275-T345 HydrophobicContact CE2-CG2 3.4Å; Y275-T345 VanDerWaalsContact CE2-CG2 3.4Å; Y275-T345 WeakPolarHBondContact OH-CG2 3.12Å; L343-T345 WeakPolarHBondContact CB-OG1 3.42Å; L343-T345 PolarHBondContact O-N 3.06Å; L343-T345 VanDerWaalsContact O-N 3.12Å
346	D	88.2	Confident	86.8	Confident	23 Å²	23	30.6 Å²	30.6	12%	0.123	18%	0.181	C	C	.	.	S	Bend	trans	-67.7	160	-178.1	-65.9	-27.2	0	0	0	109.5	I342 L343 P344 T348 R609	I342-D346 WeakPolarHBondContact CA-OD2 3.33Å; I342-D346 HydrophobicContact CG2-CB 4.21Å; I342-D346 WeakPolarHBondContact CG2-OD2 3.48Å; L343-D346 PolarHBondContact N-OD2 3Å; L343-D346 VanDerWaalsContact O-CB 3.31Å; L343-D346 WeakPolarHBondContact O-CB 3.24Å; L343-D346 PolarHBondContact O-N 3.25Å; P344-D346 VanDerWaalsContact C-N 3.34Å; D346-T348 PolarHBondContact O-N 3.03Å; D346-R609 IonicContact OD1-NE 3.21Å; D346-R609 IonicContact OD2-NE 3.49Å; D346-R609 PolarHBondContact OD2-NE 3.28Å
347	P	89.1	Confident	88.1	Confident	79 Å²	79	23.5 Å²	23.5	51%	0.513	14%	0.143	S	C	.	.			trans	-46.2	136.5	178.4	-30.2	34.1	0	0	0	112.6	S349 I350 W351	P347-S349 PolarHBondContact O-N 3.21Å; P347-I350 HydrophobicContact CB-CD1 4.17Å; P347-I350 HydrophobicContact CB-CG1 4.23Å; P347-I350 HydrophobicContact CG-CD1 3.99Å; P347-I350 WeakPolarHBondContact O-CB 3.15Å; P347-I350 PolarHBondContact O-N 3.27Å; P347-W351 PolarHBondContact O-N 3.05Å; P347-W351 VanDerWaalsContact O-N 3.08Å
348	T	87.1	Confident	89.3	Confident	82 Å²	82	19.1 Å²	19.1	50%	0.503	12%	0.12	S	C	.	.	H	α-helix	trans	-49.5	-39.1	-172.7	-53.7	0	0	0	0	113.3	M237 D346 L352	M237-T348 HydrophobicContact CE-CG2 4.35Å; D346-T348 PolarHBondContact O-N 3.03Å; T348-L352 WeakPolarHBondContact O-CB 3.21Å; T348-L352 PolarHBondContact O-N 3.36Å
349	S	86.2	Confident	90.4	Very high	21 Å²	21	18 Å²	18	15%	0.147	11%	0.111	C	C	.	.	H	α-helix	trans	-64.5	-40.8	177.7	50.9	0	0	0	0	113.2	P347 Q353 G632	P347-S349 PolarHBondContact O-N 3.21Å; S349-Q353 WeakPolarHBondContact O-CG 3.27Å; S349-Q353 PolarHBondContact O-N 3.18Å; S349-G632 VanDerWaalsContact CB-C 3.46Å; S349-G632 WeakPolarHBondContact CB-O 3.16Å
350	I	89.6	Confident	91.5	Very high	5 Å²	5	17 Å²	17	3%	0.026	10%	0.104	C	C	.	.	H	α-helix	trans	-69.7	-45.2	178.9	-56.8	179.7	0	0	0	109.8	I342 P347 L352 Q353 A354 P606 F612	I342-I350 HydrophobicContact CD1-CG2 4.09Å; I342-I350 HydrophobicContact CG1-CG2 4.41Å; I342-I350 HydrophobicContact CG2-CG2 3.78Å; P347-I350 HydrophobicContact CB-CD1 4.17Å; P347-I350 HydrophobicContact CB-CG1 4.23Å; P347-I350 HydrophobicContact CG-CD1 3.99Å; P347-I350 WeakPolarHBondContact O-CB 3.15Å; P347-I350 PolarHBondContact O-N 3.27Å; I350-L352 VanDerWaalsContact C-N 3.33Å; I350-L352 PolarHBondContact O-N 3.28Å; I350-Q353 PolarHBondContact O-N 2.86Å; I350-A354 PolarHBondContact O-N 2.85Å; I350-P606 HydrophobicContact CG2-CB 4.39Å; I350-F612 HydrophobicContact CD1-CB 3.5Å; I350-F612 HydrophobicContact CD1-CD1 4.49Å; I350-F612 HydrophobicContact CD1-CD2 4.28Å; I350-F612 HydrophobicContact CD1-CG 3.85Å; I350-F612 HydrophobicContact CG1-CB 4Å; I350-F612 HydrophobicContact CG1-CD1 4.04Å; I350-F612 HydrophobicContact CG1-CD2 4.27Å; I350-F612 HydrophobicContact CG1-CG 3.83Å
351	W	91.5	Very high	92.2	Very high	13 Å²	13	16.8 Å²	16.8	5%	0.049	10%	0.101	C	C	.	.	H	α-helix	trans	-62.9	-41.2	177.3	-177.1	-129	0	0	0	112.1	D239 P326 I329 I342 P344 P347 A354 K355	D239-W351 PolarHBondContact OD1-NE1 2.84Å; D239-W351 PolarHBondContact OD2-NE1 3.32Å; P326-W351 HydrophobicContact CB-CH2 3.96Å; P326-W351 HydrophobicContact CB-CZ2 3.73Å; P326-W351 HydrophobicContact CG-CH2 4.45Å; P326-W351 HydrophobicContact CG-CZ2 3.72Å; I329-W351 HydrophobicContact CB-CZ3 4.05Å; I329-W351 HydrophobicContact CD1-CE3 4.24Å; I329-W351 HydrophobicContact CD1-CH2 3.61Å; I329-W351 HydrophobicContact CD1-CZ2 4.35Å; I329-W351 HydrophobicContact CD1-CZ3 3.54Å; I329-W351 HydrophobicContact CG1-CH2 3.74Å; I329-W351 HydrophobicContact CG1-CZ3 3.67Å; I342-W351 HydrophobicContact CB-CE3 4.49Å; I342-W351 HydrophobicContact CG2-CE3 3.84Å; I342-W351 HydrophobicContact CG2-CZ3 4.42Å; I342-W351 WeakPolarHBondContact O-CZ3 2.99Å; P344-W351 HydrophobicContact CB-CZ2 4.2Å; P344-W351 HydrophobicContact CG-CH2 3.96Å; P344-W351 HydrophobicContact CG-CZ2 3.6Å; P347-W351 PolarHBondContact O-N 3.05Å; P347-W351 VanDerWaalsContact O-N 3.08Å; W351-A354 HydrophobicContact CE3-CB 4.26Å; W351-A354 PolarHBondContact O-N 3.06Å; W351-K355 HydrophobicContact CD2-CG 4.45Å; W351-K355 HydrophobicContact CZ2-CD 4.29Å; W351-K355 HydrophobicContact CZ2-CG 4.37Å; W351-K355 WeakPolarHBondContact O-CG 3.4Å; W351-K355 PolarHBondContact O-N 3.13Å; W351-K355 VanDerWaalsContact O-N 3.1Å
352	L	91.4	Very high	92.6	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-62.9	-45.6	175.2	-177.3	56.8	0	0	0	111.5	W235 M236 T348 I350 A354 K355 L356 V636	W235-L352 HydrophobicContact CH2-CD2 3.94Å; W235-L352 HydrophobicContact CZ3-CD1 4.28Å; W235-L352 HydrophobicContact CZ3-CD2 4.16Å; M236-L352 HydrophobicContact CB-CD1 4.13Å; T348-L352 WeakPolarHBondContact O-CB 3.21Å; T348-L352 PolarHBondContact O-N 3.36Å; I350-L352 VanDerWaalsContact C-N 3.33Å; I350-L352 PolarHBondContact O-N 3.28Å; L352-A354 VanDerWaalsContact C-N 3.35Å; L352-A354 PolarHBondContact O-N 2.87Å; L352-K355 PolarHBondContact O-N 3.37Å; L352-L356 HydrophobicContact CG-CD1 4.31Å; L352-L356 PolarHBondContact O-N 2.97Å; L352-V636 HydrophobicContact CD2-CG1 3.85Å; L352-V636 HydrophobicContact CD2-CG2 4.15Å; L352-V636 HydrophobicContact CG-CG1 4.22Å; L352-V636 HydrophobicContact CG-CG2 4.39Å
353	Q	92	Very high	92.9	Very high	9 Å²	9	16.7 Å²	16.7	4%	0.042	10%	0.101	C	C	.	.	H	α-helix	trans	-59.2	-45.5	174.4	-75.9	-62.5	55.7	0	0	111.8	S349 I350 K355 L356 W357 P606 R635 V636 S639	S349-Q353 WeakPolarHBondContact O-CG 3.27Å; S349-Q353 PolarHBondContact O-N 3.18Å; I350-Q353 PolarHBondContact O-N 2.86Å; Q353-K355 VanDerWaalsContact C-N 3.27Å; Q353-K355 PolarHBondContact O-N 3.4Å; Q353-L356 WeakPolarHBondContact O-CB 3.33Å; Q353-L356 PolarHBondContact O-N 3.47Å; Q353-L356 VanDerWaalsContact O-N 3.09Å; Q353-L356 VanDerWaalsContact OE1-CD1 3.28Å; Q353-W357 PolarHBondContact O-N 3.35Å; Q353-P606 HydrophobicContact CB-CG 3.85Å; Q353-R635 PolarHBondContact NE2-O 2.98Å; Q353-V636 HydrophobicContact CG-CG2 3.83Å; Q353-S639 PolarHBondContact NE2-OG 2.89Å; Q353-S639 VanDerWaalsContact NE2-OG 3.11Å; Q353-S639 PolarHBondContact OE1-OG 3.29Å
354	A	93.9	Very high	93.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-54.9	-45.8	178.2	0	0	0	0	0	111.9	I329 I342 I350 W351 L352 W357 V358	I329-A354 HydrophobicContact CB-CB 4.22Å; I329-A354 HydrophobicContact CD1-CB 3.99Å; I329-A354 HydrophobicContact CG2-CB 4.08Å; I342-A354 HydrophobicContact CB-CB 4.03Å; I342-A354 HydrophobicContact CD1-CB 3.6Å; I342-A354 HydrophobicContact CG1-CB 4.4Å; I342-A354 HydrophobicContact CG2-CB 3.94Å; I350-A354 PolarHBondContact O-N 2.85Å; W351-A354 HydrophobicContact CE3-CB 4.26Å; W351-A354 PolarHBondContact O-N 3.06Å; L352-A354 VanDerWaalsContact C-N 3.35Å; L352-A354 PolarHBondContact O-N 2.87Å; A354-W357 PolarHBondContact O-N 3.24Å; A354-V358 WeakPolarHBondContact O-CG2 3.26Å; A354-V358 PolarHBondContact O-N 3.5Å; A354-V358 VanDerWaalsContact O-N 3.12Å
355	K	94.9	Very high	93.6	Very high	5 Å²	5	16.8 Å²	16.8	2%	0.022	10%	0.099	C	C	.	.	H	α-helix	trans	-65.8	-40.9	176.6	-67.7	-176.4	-69.4	-174.5	0	112.1	M236 D239 F242 I329 W351 L352 Q353 W357 V358 N359	M236-K355 HydrophobicContact CE-CB 3.28Å; M236-K355 VanDerWaalsContact CE-O 3.29Å; M236-K355 WeakPolarHBondContact CE-O 3.48Å; M236-K355 PolarHBondContact O-NZ 3.12Å; D239-K355 IonicContact OD1-NZ 2.73Å; D239-K355 PolarHBondContact OD1-NZ 3.44Å; F242-K355 HydrophobicContact CB-CD 4.36Å; F242-K355 HydrophobicContact CD1-CD 4.09Å; F242-K355 HydrophobicContact CD1-CG 4.25Å; F242-K355 HydrophobicContact CD2-CB 4Å; F242-K355 HydrophobicContact CD2-CD 4.19Å; F242-K355 HydrophobicContact CD2-CG 4.25Å; F242-K355 HydrophobicContact CE1-CD 4.38Å; F242-K355 HydrophobicContact CE1-CG 4.04Å; F242-K355 HydrophobicContact CE2-CB 3.62Å; F242-K355 HydrophobicContact CE2-CD 4.48Å; F242-K355 HydrophobicContact CE2-CG 4.03Å; F242-K355 WeakPolarHBondContact CE2-O 3.4Å; F242-K355 HydrophobicContact CG-CD 3.95Å; F242-K355 HydrophobicContact CG-CG 4.32Å; F242-K355 HydrophobicContact CZ-CB 3.9Å; F242-K355 HydrophobicContact CZ-CG 3.91Å; I329-K355 HydrophobicContact CD1-CB 4.44Å; I329-K355 HydrophobicContact CD1-CG 3.68Å; W351-K355 HydrophobicContact CD2-CG 4.45Å; W351-K355 HydrophobicContact CZ2-CD 4.29Å; W351-K355 HydrophobicContact CZ2-CG 4.37Å; W351-K355 WeakPolarHBondContact O-CG 3.4Å; W351-K355 PolarHBondContact O-N 3.13Å; W351-K355 VanDerWaalsContact O-N 3.1Å; L352-K355 PolarHBondContact O-N 3.37Å; Q353-K355 VanDerWaalsContact C-N 3.27Å; Q353-K355 PolarHBondContact O-N 3.4Å; K355-W357 VanDerWaalsContact C-N 3.34Å; K355-W357 PolarHBondContact O-N 3.47Å; K355-V358 WeakPolarHBondContact O-CB 3.11Å; K355-V358 PolarHBondContact O-N 2.97Å; K355-N359 PolarHBondContact O-N 3.16Å
356	L	94.7	Very high	94.1	Very high	1 Å²	1	13 Å²	13	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-60.1	-42.9	176.7	-80.1	168.1	0	0	0	112.1	M236 L352 Q353 V358 N359 L360 A595 P598 L601 V636 L640	M236-L356 HydrophobicContact CE-CD2 4.47Å; M236-L356 HydrophobicContact CE-CG 4.45Å; M236-L356 HydrophobicContact SD-CD2 3.75Å; M236-L356 HydrophobicContact SD-CG 4.25Å; L352-L356 HydrophobicContact CG-CD1 4.31Å; L352-L356 PolarHBondContact O-N 2.97Å; Q353-L356 WeakPolarHBondContact O-CB 3.33Å; Q353-L356 PolarHBondContact O-N 3.47Å; Q353-L356 VanDerWaalsContact O-N 3.09Å; Q353-L356 VanDerWaalsContact OE1-CD1 3.28Å; L356-V358 VanDerWaalsContact C-N 3.33Å; L356-V358 PolarHBondContact O-N 2.86Å; L356-N359 CarbonylContact O-C 3.44Å; L356-N359 PolarHBondContact O-N 2.92Å; L356-N359 VanDerWaalsContact O-N 3.14Å; L356-L360 PolarHBondContact O-N 3.38Å; L356-A595 WeakPolarHBondContact CD2-O 3.4Å; L356-P598 HydrophobicContact CD2-CG 4.08Å; L356-L601 HydrophobicContact CB-CD1 4.08Å; L356-V636 HydrophobicContact CD1-CG1 3.65Å; L356-L640 HydrophobicContact CD1-CD2 4.23Å; L356-L640 HydrophobicContact CD2-CD2 4.18Å
357	W	95.8	Very high	94.5	Very high	1 Å²	1	12 Å²	12	0%	0.004	7%	0.071	C	C	.	.	H	α-helix	trans	-67.5	-31.8	176.6	-78.2	98.1	0	0	0	113.1	E308 L331 Q353 A354 K355 L360 A361 L601 P605	E308-W357 HydrophobicContact CB-CH2 4.35Å; E308-W357 WeakPolarHBondContact O-CZ3 3.28Å; L331-W357 HydrophobicContact CD1-CB 4.06Å; L331-W357 HydrophobicContact CD1-CG 4.25Å; L331-W357 HydrophobicContact CD2-CB 3.71Å; Q353-W357 PolarHBondContact O-N 3.35Å; A354-W357 PolarHBondContact O-N 3.24Å; K355-W357 VanDerWaalsContact C-N 3.34Å; K355-W357 PolarHBondContact O-N 3.47Å; W357-L360 HydrophobicContact CE3-CD2 3.81Å; W357-L360 HydrophobicContact CZ3-CD2 3.72Å; W357-A361 PolarHBondContact O-N 3.47Å; W357-L601 HydrophobicContact CD2-CD1 4.02Å; W357-L601 HydrophobicContact CE3-CD1 4.43Å; W357-L601 HydrophobicContact CG-CD1 4.22Å; W357-L601 HydrophobicContact CH2-CB 4.48Å; W357-L601 HydrophobicContact CZ2-CB 4.39Å; W357-P605 HydrophobicContact CD2-CB 3.82Å; W357-P605 VanDerWaalsContact CE2-CA 3.49Å; W357-P605 HydrophobicContact CE3-CB 4.22Å; W357-P605 HydrophobicContact CG-CB 4.15Å; W357-P605 HydrophobicContact CZ2-CB 4.15Å
358	V	96.7	Very high	95	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-64.9	-44.7	168.3	172.6	0	0	0	0	110.9	F242 L293 P312 A314 I329 L331 A354 K355 L356 L360 A361 D362	F242-V358 HydrophobicContact CE2-CB 4.43Å; F242-V358 HydrophobicContact CE2-CG1 4.36Å; F242-V358 HydrophobicContact CZ-CB 3.88Å; F242-V358 HydrophobicContact CZ-CG1 3.69Å; L293-V358 HydrophobicContact CD2-CG1 3.56Å; P312-V358 HydrophobicContact CB-CG2 3.86Å; P312-V358 HydrophobicContact CG-CG2 4.17Å; A314-V358 HydrophobicContact CB-CG2 4.36Å; I329-V358 HydrophobicContact CD1-CG2 4.05Å; I329-V358 HydrophobicContact CG1-CG2 4.32Å; I329-V358 HydrophobicContact CG2-CG2 3.61Å; L331-V358 HydrophobicContact CD2-CG2 4.43Å; A354-V358 WeakPolarHBondContact O-CG2 3.26Å; A354-V358 PolarHBondContact O-N 3.5Å; A354-V358 VanDerWaalsContact O-N 3.12Å; K355-V358 WeakPolarHBondContact O-CB 3.11Å; K355-V358 PolarHBondContact O-N 2.97Å; L356-V358 VanDerWaalsContact C-N 3.33Å; L356-V358 PolarHBondContact O-N 2.86Å; V358-L360 VanDerWaalsContact C-N 3.33Å; V358-L360 PolarHBondContact O-N 2.7Å; V358-A361 WeakPolarHBondContact O-CB 3.42Å; V358-A361 PolarHBondContact O-N 2.83Å; V358-D362 PolarHBondContact O-N 3.24Å
359	N	96.6	Very high	95.5	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-67.1	-33.4	178.4	-84.3	4.4	0	0	0	113.1	M236 F242 Q245 R246 K355 L356 D362 A363 Q596 Y597	M236-N359 HydrophobicContact CE-CB 4.21Å; M236-N359 WeakPolarHBondContact CE-ND2 3.22Å; M236-N359 HydrophobicContact SD-CB 4.47Å; M236-N359 PolarHBondContact SD-ND2 3.02Å; F242-N359 VanDerWaalsContact CE2-OD1 3.23Å; F242-N359 WeakPolarHBondContact CE2-OD1 3.28Å; Q245-N359 PolarHBondContact OE1-ND2 3.17Å; R246-N359 PolarHBondContact NH2-OD1 3.21Å; K355-N359 PolarHBondContact O-N 3.16Å; L356-N359 CarbonylContact O-C 3.44Å; L356-N359 PolarHBondContact O-N 2.92Å; L356-N359 VanDerWaalsContact O-N 3.14Å; N359-D362 PolarHBondContact O-N 2.82Å; N359-A363 WeakPolarHBondContact O-CB 3.45Å; N359-A363 PolarHBondContact O-N 3.45Å; N359-Q596 PolarHBondContact ND2-O 2.98Å; N359-Y597 HydrophobicContact CB-CD2 3.84Å; N359-Y597 HydrophobicContact CB-CE2 4.3Å
360	L	97.8	Very high	96.1	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-61.5	-45.3	171.6	178.6	63.3	0	0	0	111.8	L309 L356 W357 V358 A363 C364 Q428 P598 L599 L601	L309-L360 HydrophobicContact CD1-CD2 4Å; L309-L360 HydrophobicContact CD1-CG 4.01Å; L356-L360 PolarHBondContact O-N 3.38Å; W357-L360 HydrophobicContact CE3-CD2 3.81Å; W357-L360 HydrophobicContact CZ3-CD2 3.72Å; V358-L360 VanDerWaalsContact C-N 3.33Å; V358-L360 PolarHBondContact O-N 2.7Å; L360-A363 PolarHBondContact O-N 2.69Å; L360-C364 WeakPolarHBondContact O-CB 3.3Å; L360-C364 PolarHBondContact O-N 3.33Å; L360-C364 PolarHBondContact O-SG 3.31Å; L360-Q428 HydrophobicContact CD1-CB 4.13Å; L360-Q428 HydrophobicContact CD2-CB 4.44Å; L360-Q428 HydrophobicContact CD2-CG 4Å; L360-P598 WeakPolarHBondContact CA-O 3.28Å; L360-P598 HydrophobicContact CB-CG 4.44Å; L360-P598 WeakPolarHBondContact CD1-O 3.43Å; L360-L599 VanDerWaalsContact CD1-C 3.45Å; L360-L599 WeakPolarHBondContact CD1-O 3.38Å; L360-L601 HydrophobicContact CB-CD1 3.92Å; L360-L601 HydrophobicContact CB-CG 4.36Å; L360-L601 HydrophobicContact CD2-CB 3.96Å; L360-L601 HydrophobicContact CD2-CD1 3.93Å; L360-L601 HydrophobicContact CD2-CG 4Å; L360-L601 HydrophobicContact CG-CD1 4.46Å
361	A	97.8	Very high	96.5	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-62	-50	175.6	0	0	0	0	0	110.3	F295 M298 P312 W357 V358 A363 C364 H365	F295-A361 HydrophobicContact CB-CB 4.22Å; F295-A361 HydrophobicContact CD2-CB 3.84Å; F295-A361 HydrophobicContact CE2-CB 4.32Å; F295-A361 HydrophobicContact CG-CB 3.94Å; M298-A361 HydrophobicContact CE-CB 4.29Å; M298-A361 WeakPolarHBondContact CE-O 3.26Å; M298-A361 HydrophobicContact SD-CB 3.66Å; P312-A361 HydrophobicContact CG-CB 3.61Å; W357-A361 PolarHBondContact O-N 3.47Å; V358-A361 WeakPolarHBondContact O-CB 3.42Å; V358-A361 PolarHBondContact O-N 2.83Å; A361-A363 VanDerWaalsContact C-N 3.32Å; A361-A363 PolarHBondContact O-N 2.76Å; A361-C364 PolarHBondContact O-N 3.27Å; A361-H365 PolarHBondContact O-N 2.94Å
362	D	98.4	Very high	96.8	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-59.3	-41.5	178.2	-168.7	54.6	0	0	0	112.6	R246 N251 F295 V358 N359 H365 H366 Y597	R246-D362 IonicContact CZ-OD2 2.79Å; R246-D362 IonicContact NH1-OD1 2.63Å; R246-D362 IonicContact NH1-OD2 2.71Å; R246-D362 PolarHBondContact NH1-OD2 3.26Å; N251-D362 PolarHBondContact ND2-OD1 3.14Å; F295-D362 HydrophobicContact CE1-CB 4.48Å; F295-D362 HydrophobicContact CE2-CB 3.94Å; F295-D362 VanDerWaalsContact CZ-CA 3.45Å; F295-D362 HydrophobicContact CZ-CB 3.59Å; F295-D362 VanDerWaalsContact CZ-OD1 3.26Å; F295-D362 WeakPolarHBondContact CZ-OD1 3.28Å; V358-D362 PolarHBondContact O-N 3.24Å; N359-D362 PolarHBondContact O-N 2.82Å; D362-H365 WeakPolarHBondContact O-CB 3.13Å; D362-H365 PolarHBondContact O-N 2.86Å; D362-H366 VanDerWaalsContact O-CB 3.27Å; D362-H366 WeakPolarHBondContact O-CB 3.48Å; D362-H366 PolarHBondContact O-N 3.13Å; D362-Y597 HydrophobicContact CB-CE2 3.95Å; D362-Y597 VanDerWaalsContact CG-OH 3.24Å; D362-Y597 PolarHBondContact O-OH 3.38Å; D362-Y597 VanDerWaalsContact OD2-CE2 3.32Å; D362-Y597 WeakPolarHBondContact OD2-CE2 3.15Å; D362-Y597 PolarHBondContact OD2-OH 3.17Å
363	A	98.3	Very high	97.1	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-63.4	-42.9	176.6	0	0	0	0	0	112.6	N359 L360 A361 H365 M367 Y591 Y597 P598 L599	N359-A363 WeakPolarHBondContact O-CB 3.45Å; N359-A363 PolarHBondContact O-N 3.45Å; L360-A363 PolarHBondContact O-N 2.69Å; A361-A363 VanDerWaalsContact C-N 3.32Å; A361-A363 PolarHBondContact O-N 2.76Å; A363-H365 VanDerWaalsContact C-N 3.35Å; A363-M367 WeakPolarHBondContact O-CB 3.22Å; A363-M367 PolarHBondContact O-N 2.92Å; A363-Y591 HydrophobicContact CB-CE1 3.83Å; A363-Y591 PolarHBondContact O-OH 3.46Å; A363-Y591 VanDerWaalsContact O-OH 3.1Å; A363-Y597 WeakPolarHBondContact CA-OH 3.41Å; A363-Y597 HydrophobicContact CB-CD1 4.16Å; A363-Y597 HydrophobicContact CB-CE1 3.81Å; A363-Y597 HydrophobicContact CB-CE2 4.16Å; A363-Y597 HydrophobicContact CB-CG 4.5Å; A363-Y597 PolarHBondContact N-OH 2.93Å; A363-P598 VanDerWaalsContact CB-O 3.28Å; A363-P598 WeakPolarHBondContact CB-O 3.49Å; A363-L599 HydrophobicContact CB-CD1 4.16Å
364	C	98.5	Very high	97.4	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-66	-38.7	174.6	-70.5	0	0	0	0	111.5	M298 L360 A361 I368 L429	M298-C364 HydrophobicContact CE-CB 4.17Å; L360-C364 WeakPolarHBondContact O-CB 3.3Å; L360-C364 PolarHBondContact O-N 3.33Å; L360-C364 PolarHBondContact O-SG 3.31Å; A361-C364 PolarHBondContact O-N 3.27Å; C364-I368 WeakPolarHBondContact O-CB 3.33Å; C364-I368 WeakPolarHBondContact O-CG1 3.43Å; C364-I368 PolarHBondContact O-N 3.29Å; C364-I368 VanDerWaalsContact O-N 3.15Å; C364-L429 HydrophobicContact CB-CD1 4.28Å
365	H	98.6	Very high	97.6	Very high	29 Å²	29	3.9 Å²	3.9	13%	0.134	2%	0.022	C	C	.	.	H	α-helix	trans	-63.4	-51.3	175.8	-174.8	-85.4	0	0	0	110.5	N251 F295 M298 A361 D362 A363 M367 I368 V369 G370	N251-H365 PolarHBondContact ND2-ND1 2.74Å; F295-H365 HydrophobicContact CD1-CB 4.2Å; F295-H365 HydrophobicContact CE1-CB 3.67Å; F295-H365 AromaticContact CE1-CG 3.87Å; M298-H365 HydrophobicContact CE-CB 3.47Å; M298-H365 VanDerWaalsContact CE-CB 3.47Å; A361-H365 PolarHBondContact O-N 2.94Å; D362-H365 WeakPolarHBondContact O-CB 3.13Å; D362-H365 PolarHBondContact O-N 2.86Å; A363-H365 VanDerWaalsContact C-N 3.35Å; H365-M367 PolarHBondContact O-N 3.5Å; H365-I368 PolarHBondContact O-N 2.81Å; H365-V369 WeakPolarHBondContact O-CA 3.33Å; H365-V369 VanDerWaalsContact O-CB 3.25Å; H365-V369 WeakPolarHBondContact O-CB 3.41Å; H365-V369 PolarHBondContact O-N 3.01Å; H365-G370 PolarHBondContact O-N 2.91Å
366	H	98.5	Very high	97.8	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.022	C	C	.	.	I	π-helix	trans	-53.7	-52.7	178.1	170.2	-104.5	0	0	0	111.5	C250 N251 D362 I368 G370 R371 L583 Y591	C250-H366 PolarHBondContact O-CD2 3.37Å; C250-H366 PolarHBondContact O-NE2 3.09Å; N251-H366 HydrophobicContact CB-CB 3.99Å; D362-H366 VanDerWaalsContact O-CB 3.27Å; D362-H366 WeakPolarHBondContact O-CB 3.48Å; D362-H366 PolarHBondContact O-N 3.13Å; H366-I368 PolarHBondContact O-N 3.08Å; H366-G370 CarbonylContact O-C 3.55Å; H366-G370 WeakPolarHBondContact O-CA 3.37Å; H366-G370 PolarHBondContact O-N 3.43Å; H366-R371 VanDerWaalsContact CE1-CD 3.48Å; H366-R371 WeakPolarHBondContact CE1-CD 3.39Å; H366-R371 PolarHBondContact O-N 2.83Å; H366-L583 PolarHBondContact CE1-O 3.23Å; H366-L583 PolarHBondContact NE2-O 3.38Å; H366-Y591 AromaticContact CE1-CE2 3.78Å; H366-Y591 AromaticContact ND1-CE2 3.51Å; H366-Y591 AromaticContact ND1-CZ 3.62Å; H366-Y591 PolarHBondContact ND1-OH 3.14Å
367	M	98.1	Very high	98	Very high	3 Å²	3	3.7 Å²	3.7	2%	0.015	2%	0.021	C	C	.	.	I	π-helix	trans	-65.6	-40.9	-175.1	-165.9	60.9	71.9	0	0	112.5	A363 H365 L372 W422 I423 I427 M587 Y591 L599	A363-M367 WeakPolarHBondContact O-CB 3.22Å; A363-M367 PolarHBondContact O-N 2.92Å; H365-M367 PolarHBondContact O-N 3.5Å; M367-L372 PolarHBondContact O-N 3.18Å; M367-L372 VanDerWaalsContact O-N 3.13Å; M367-W422 HydrophobicContact CE-CH2 3.65Å; M367-W422 HydrophobicContact CE-CZ2 4.22Å; M367-I423 HydrophobicContact CG-CD1 4.17Å; M367-I423 HydrophobicContact CG-CG1 4.47Å; M367-I423 HydrophobicContact CG-CG2 3.81Å; M367-I423 HydrophobicContact SD-CD1 3.63Å; M367-I423 HydrophobicContact SD-CG1 4.14Å; M367-I427 HydrophobicContact CB-CD1 4.44Å; M367-M587 HydrophobicContact CE-CE 4.08Å; M367-Y591 HydrophobicContact CE-CE2 4.35Å; M367-L599 HydrophobicContact CB-CD1 4.15Å; M367-L599 HydrophobicContact CE-CD1 4.35Å; M367-L599 HydrophobicContact CE-CD2 4.26Å
368	I	98.6	Very high	98.1	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.021	C	C	.	.	I	π-helix	trans	-93.6	-47.4	-172.9	-56.7	-49.4	0	0	0	112.8	C364 H365 H366 L373 T417 I427 L429 I434 L437 L438	C364-I368 WeakPolarHBondContact O-CB 3.33Å; C364-I368 WeakPolarHBondContact O-CG1 3.43Å; C364-I368 PolarHBondContact O-N 3.29Å; C364-I368 VanDerWaalsContact O-N 3.15Å; H365-I368 PolarHBondContact O-N 2.81Å; H366-I368 PolarHBondContact O-N 3.08Å; I368-L373 PolarHBondContact O-N 2.82Å; I368-T417 HydrophobicContact CD1-CG2 4.09Å; I368-I427 HydrophobicContact CD1-CD1 3.7Å; I368-I427 HydrophobicContact CG1-CD1 3.74Å; I368-L429 HydrophobicContact CG1-CD1 4.18Å; I368-I434 HydrophobicContact CD1-CD1 4.36Å; I368-I434 HydrophobicContact CD1-CG1 4.07Å; I368-I434 HydrophobicContact CD1-CG2 3.87Å; I368-I434 HydrophobicContact CG1-CG1 4.38Å; I368-I434 HydrophobicContact CG1-CG2 4.39Å; I368-I434 HydrophobicContact CG2-CG2 4.04Å; I368-L437 HydrophobicContact CB-CD2 3.86Å; I368-L437 HydrophobicContact CB-CG 4.42Å; I368-L437 HydrophobicContact CG1-CD2 4.38Å; I368-L437 HydrophobicContact CG2-CB 4.19Å; I368-L437 HydrophobicContact CG2-CD2 3.97Å; I368-L437 HydrophobicContact CG2-CG 4.03Å; I368-L438 HydrophobicContact CG2-CD2 3.76Å; I368-L438 HydrophobicContact CG2-CG 3.71Å; I368-L438 WeakPolarHBondContact O-CD2 3.12Å
369	V	98.6	Very high	98.2	Very high	20 Å²	20	3.6 Å²	3.6	12%	0.121	2%	0.021	C	C	.	.	I	π-helix	trans	-87.4	-43.8	-178.1	-178.1	0	0	0	0	111.2	H365 L373 L437 A441	H365-V369 WeakPolarHBondContact O-CA 3.33Å; H365-V369 VanDerWaalsContact O-CB 3.25Å; H365-V369 WeakPolarHBondContact O-CB 3.41Å; H365-V369 PolarHBondContact O-N 3.01Å; V369-L373 HydrophobicContact CG1-CD2 4.27Å; V369-L373 WeakPolarHBondContact O-CB 3.49Å; V369-L437 HydrophobicContact CG2-CD1 3.7Å; V369-L437 HydrophobicContact CG2-CD2 4.04Å; V369-L437 HydrophobicContact CG2-CG 3.65Å; V369-A441 HydrophobicContact CB-CB 4.3Å; V369-A441 HydrophobicContact CG1-CB 3.72Å; V369-A441 HydrophobicContact CG2-CB 3.71Å
370	G	98	Very high	98.3	Very high	8 Å²	8	3.7 Å²	3.7	8%	0.082	2%	0.022	C	C	.	.	I	π-helix	trans	-66.5	-64.5	177.4	0	0	0	0	0	110.8	H365 H366 T374 L583	H365-G370 PolarHBondContact O-N 2.91Å; H366-G370 CarbonylContact O-C 3.55Å; H366-G370 WeakPolarHBondContact O-CA 3.37Å; H366-G370 PolarHBondContact O-N 3.43Å; G370-T374 WeakPolarHBondContact O-CB 3.45Å; G370-T374 PolarHBondContact O-OG1 3.05Å; G370-L583 VanDerWaalsContact C-CD1 3.48Å; G370-L583 WeakPolarHBondContact O-CD1 3.23Å
371	R	97.3	Very high	98.3	Very high	1 Å²	1	3.7 Å²	3.7	0%	0.004	2%	0.022	C	C	.	.	I	π-helix	trans	-79.5	-69.6	-173.1	-61.1	-173.4	62.7	68.4	3	112.4	H366 L373 T374 H375 L583 G721 I722	H366-R371 VanDerWaalsContact CE1-CD 3.48Å; H366-R371 WeakPolarHBondContact CE1-CD 3.39Å; H366-R371 PolarHBondContact O-N 2.83Å; R371-L373 PolarHBondContact O-N 2.73Å; R371-T374 PolarHBondContact O-N 2.81Å; R371-H375 PolarHBondContact O-CD2 3.39Å; R371-H375 VanDerWaalsContact O-CD2 3.31Å; R371-H375 PolarHBondContact O-N 3.16Å; R371-L583 HydrophobicContact CG-CB 4.28Å; R371-L583 PolarHBondContact NH1-O 2.87Å; R371-G721 PolarHBondContact NH2-O 3.21Å; R371-I722 VanDerWaalsContact NH2-C 3.32Å; R371-I722 PolarHBondContact NH2-OXT 2.99Å
372	L	98.2	Very high	98.3	Very high	2 Å²	2	4.7 Å²	4.7	1%	0.01	3%	0.026	C	C	.	.	I	π-helix	trans	-59.4	-50.6	-169	178.9	60.5	0	0	0	112.6	M367 T374 H375 L376 L413 K414 T417 F418 I434 L438	M367-L372 PolarHBondContact O-N 3.18Å; M367-L372 VanDerWaalsContact O-N 3.13Å; L372-T374 PolarHBondContact O-N 3.29Å; L372-H375 PolarHBondContact O-N 3.16Å; L372-L376 HydrophobicContact CD1-CD1 4.31Å; L372-L376 HydrophobicContact CD1-CD2 4.26Å; L372-L376 HydrophobicContact CD1-CG 4.11Å; L372-L376 HydrophobicContact CG-CD1 4.23Å; L372-L376 HydrophobicContact CG-CG 4.42Å; L372-L376 VanDerWaalsContact O-CG 3.32Å; L372-L376 WeakPolarHBondContact O-CG 3.36Å; L372-L376 PolarHBondContact O-N 3.06Å; L372-L413 HydrophobicContact CD1-CB 4.41Å; L372-K414 HydrophobicContact CD1-CG 4.41Å; L372-T417 HydrophobicContact CD2-CG2 3.84Å; L372-F418 HydrophobicContact CD2-CE2 4.02Å; L372-F418 HydrophobicContact CD2-CZ 4.03Å; L372-I434 HydrophobicContact CD2-CG2 4.48Å; L372-L438 HydrophobicContact CD2-CD1 3.96Å; L372-L438 HydrophobicContact CD2-CD2 4.38Å; L372-L438 HydrophobicContact CG-CD2 4.34Å
373	L	98.6	Very high	98.2	Very high	1 Å²	1	4.7 Å²	4.7	1%	0.005	3%	0.026	C	C	.	.	I	π-helix	trans	-58.4	-45.7	-179.9	176.7	60.5	0	0	0	112.5	P168 I368 V369 R371 H375 L376 I377 L438 A441 F442	P168-L373 HydrophobicContact CG-CD1 3.38Å; I368-L373 PolarHBondContact O-N 2.82Å; V369-L373 HydrophobicContact CG1-CD2 4.27Å; V369-L373 WeakPolarHBondContact O-CB 3.49Å; R371-L373 PolarHBondContact O-N 2.73Å; L373-H375 VanDerWaalsContact C-N 3.33Å; L373-H375 PolarHBondContact O-N 3.33Å; L373-L376 PolarHBondContact O-N 2.96Å; L373-I377 HydrophobicContact CD1-CD1 4.07Å; L373-I377 HydrophobicContact CD1-CG1 4.31Å; L373-I377 HydrophobicContact CG-CD1 4.01Å; L373-I377 WeakPolarHBondContact O-CG1 3.4Å; L373-I377 PolarHBondContact O-N 2.78Å; L373-L438 HydrophobicContact CB-CD2 3.78Å; L373-L438 HydrophobicContact CD1-CD2 4.38Å; L373-A441 HydrophobicContact CD2-CB 3.66Å; L373-F442 HydrophobicContact CD1-CB 3.95Å; L373-F442 HydrophobicContact CD1-CD2 3.96Å; L373-F442 HydrophobicContact CD1-CG 4.31Å
374	T	98.4	Very high	98.2	Very high	11 Å²	11	4.7 Å²	4.7	7%	0.067	3%	0.026	C	C	.	.	H	α-helix	trans	-65.6	-38.4	-179	-48.7	0	0	0	0	111.4	G370 R371 L372 I377 L378 L574 T579	G370-T374 WeakPolarHBondContact O-CB 3.45Å; G370-T374 PolarHBondContact O-OG1 3.05Å; R371-T374 PolarHBondContact O-N 2.81Å; L372-T374 PolarHBondContact O-N 3.29Å; T374-I377 PolarHBondContact O-N 3.45Å; T374-L378 HydrophobicContact CG2-CD1 4.33Å; T374-L378 WeakPolarHBondContact O-CB 3.31Å; T374-L378 WeakPolarHBondContact O-CG 3.47Å; T374-L378 PolarHBondContact O-N 3.38Å; T374-L574 HydrophobicContact CG2-CD2 4.11Å; T374-T579 WeakPolarHBondContact CG2-OG1 3.4Å
375	H	98.3	Very high	98.1	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-61.8	-42.6	172	-89.8	-89.4	0	0	0	112.9	R371 L372 L373 I377 L378 E379 V409 T410 L413 T579 P720	R371-H375 PolarHBondContact O-CD2 3.39Å; R371-H375 VanDerWaalsContact O-CD2 3.31Å; R371-H375 PolarHBondContact O-N 3.16Å; L372-H375 PolarHBondContact O-N 3.16Å; L373-H375 VanDerWaalsContact C-N 3.33Å; L373-H375 PolarHBondContact O-N 3.33Å; H375-I377 VanDerWaalsContact C-N 3.33Å; H375-I377 PolarHBondContact O-N 3.1Å; H375-L378 PolarHBondContact O-N 3.16Å; H375-E379 WeakPolarHBondContact O-CB 3.35Å; H375-E379 PolarHBondContact O-N 3.42Å; H375-V409 WeakPolarHBondContact CE1-CG1 3.49Å; H375-T410 HydrophobicContact CB-CG2 4.16Å; H375-T410 PolarHBondContact ND1-OG1 3.18Å; H375-L413 HydrophobicContact CB-CD1 4.05Å; H375-L413 WeakPolarHBondContact CD2-CD1 3.36Å; H375-L413 VanDerWaalsContact CG-CD1 3.45Å; H375-L413 WeakPolarHBondContact NE2-CD1 3.33Å; H375-T579 WeakPolarHBondContact CD2-CG2 3.17Å; H375-T579 WeakPolarHBondContact NE2-CG2 3.05Å; H375-P720 VanDerWaalsContact CE1-CB 3.48Å; H375-P720 WeakPolarHBondContact CE1-CB 3.39Å
376	L	98.3	Very high	98	Very high	1 Å²	1	4.2 Å²	4.2	1%	0.005	2%	0.023	C	C	.	.	H	α-helix	trans	-63.8	-39.1	176	-63.4	178.4	0	0	0	111.9	P168 E170 L372 L373 S380 T410 K414	P168-L376 HydrophobicContact CB-CB 4.13Å; P168-L376 HydrophobicContact CG-CB 4.33Å; P168-L376 HydrophobicContact CG-CD1 4.33Å; E170-L376 HydrophobicContact CG-CD2 4.04Å; L372-L376 HydrophobicContact CD1-CD1 4.31Å; L372-L376 HydrophobicContact CD1-CD2 4.26Å; L372-L376 HydrophobicContact CD1-CG 4.11Å; L372-L376 HydrophobicContact CG-CD1 4.23Å; L372-L376 HydrophobicContact CG-CG 4.42Å; L372-L376 VanDerWaalsContact O-CG 3.32Å; L372-L376 WeakPolarHBondContact O-CG 3.36Å; L372-L376 PolarHBondContact O-N 3.06Å; L373-L376 PolarHBondContact O-N 2.96Å; L376-S380 WeakPolarHBondContact O-CB 3.44Å; L376-S380 PolarHBondContact O-N 3.01Å; L376-S380 PolarHBondContact O-OG 3.22Å; L376-T410 HydrophobicContact CD2-CG2 3.92Å; L376-K414 HydrophobicContact CD2-CD 3.95Å; L376-K414 HydrophobicContact CD2-CG 4.18Å
377	I	98.5	Very high	97.8	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64.4	-45.5	174.7	-68.6	170.3	0	0	0	110.6	L373 T374 H375 S380 I381 F442 W445 L527	L373-I377 HydrophobicContact CD1-CD1 4.07Å; L373-I377 HydrophobicContact CD1-CG1 4.31Å; L373-I377 HydrophobicContact CG-CD1 4.01Å; L373-I377 WeakPolarHBondContact O-CG1 3.4Å; L373-I377 PolarHBondContact O-N 2.78Å; T374-I377 PolarHBondContact O-N 3.45Å; H375-I377 VanDerWaalsContact C-N 3.33Å; H375-I377 PolarHBondContact O-N 3.1Å; I377-S380 PolarHBondContact O-N 2.92Å; I377-S380 PolarHBondContact O-OG 3Å; I377-I381 HydrophobicContact CG2-CD1 3.78Å; I377-I381 HydrophobicContact CG2-CG1 4.48Å; I377-I381 VanDerWaalsContact O-CG1 3.28Å; I377-I381 WeakPolarHBondContact O-CG1 3.23Å; I377-I381 PolarHBondContact O-N 2.83Å; I377-F442 HydrophobicContact CD1-CD2 4.27Å; I377-F442 HydrophobicContact CD1-CE2 4.35Å; I377-F442 HydrophobicContact CG1-CD2 4.48Å; I377-F442 HydrophobicContact CG1-CE2 4.25Å; I377-W445 HydrophobicContact CD1-CD2 3.73Å; I377-W445 HydrophobicContact CD1-CE3 4.18Å; I377-W445 HydrophobicContact CD1-CG 4.05Å; I377-W445 HydrophobicContact CD1-CH2 4.48Å; I377-W445 HydrophobicContact CD1-CZ2 4.07Å; I377-W445 HydrophobicContact CG2-CH2 4.22Å; I377-W445 HydrophobicContact CG2-CZ2 4.35Å; I377-L527 HydrophobicContact CG2-CD1 3.95Å; I377-L527 HydrophobicContact CG2-CD2 4.44Å
378	L	98.6	Very high	97.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-68.3	-37.8	178.7	-73.3	174.7	0	0	0	112.8	T374 H375 I381 Y382 F403 I406 L574 S575 T579 P720	T374-L378 HydrophobicContact CG2-CD1 4.33Å; T374-L378 WeakPolarHBondContact O-CB 3.31Å; T374-L378 WeakPolarHBondContact O-CG 3.47Å; T374-L378 PolarHBondContact O-N 3.38Å; H375-L378 PolarHBondContact O-N 3.16Å; L378-I381 PolarHBondContact O-N 2.7Å; L378-Y382 WeakPolarHBondContact O-CB 3.49Å; L378-Y382 PolarHBondContact O-N 2.79Å; L378-F403 HydrophobicContact CB-CE1 4.37Å; L378-F403 HydrophobicContact CD2-CE1 4.13Å; L378-I406 HydrophobicContact CB-CD1 3.61Å; L378-I406 HydrophobicContact CB-CG1 4.05Å; L378-I406 HydrophobicContact CD1-CD1 4.41Å; L378-L574 HydrophobicContact CD1-CB 4.38Å; L378-L574 HydrophobicContact CD2-CB 3.91Å; L378-L574 HydrophobicContact CG-CB 4.41Å; L378-S575 VanDerWaalsContact CD2-OG 3.3Å; L378-S575 WeakPolarHBondContact CD2-OG 3.27Å; L378-T579 HydrophobicContact CD1-CG2 4.43Å; L378-P720 HydrophobicContact CD1-CG 4.1Å
379	E	98.3	Very high	97.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-58.1	-49	172.5	174.8	-179.5	-108.5	0	0	110.4	L171 H375 Y382 V383 I406 L407 T410 K414	L171-E379 HydrophobicContact CB-CG 4.05Å; L171-E379 PolarHBondContact N-OE2 3.18Å; H375-E379 WeakPolarHBondContact O-CB 3.35Å; H375-E379 PolarHBondContact O-N 3.42Å; E379-Y382 PolarHBondContact O-N 2.97Å; E379-V383 WeakPolarHBondContact O-CG2 3.39Å; E379-V383 PolarHBondContact O-N 2.75Å; E379-I406 HydrophobicContact CB-CG1 4.44Å; E379-L407 HydrophobicContact CG-CD2 3.79Å; E379-T410 HydrophobicContact CB-CG2 4.05Å; E379-T410 HydrophobicContact CG-CG2 4.43Å; E379-K414 IonicContact OE1-NZ 3.52Å; E379-K414 PolarHBondContact OE1-NZ 3.43Å; E379-K414 IonicContact OE2-NZ 3.83Å; E379-K414 PolarHBondContact OE2-NZ 2.89Å
380	S	98.1	Very high	97.4	Very high	2 Å²	2	5.9 Å²	5.9	1%	0.014	3%	0.028	C	C	.	.	H	α-helix	trans	-67	-38.5	180	58.3	0	0	0	0	113.3	L376 I377 V383 S384 L525	L376-S380 WeakPolarHBondContact O-CB 3.44Å; L376-S380 PolarHBondContact O-N 3.01Å; L376-S380 PolarHBondContact O-OG 3.22Å; I377-S380 PolarHBondContact O-N 2.92Å; I377-S380 PolarHBondContact O-OG 3Å; S380-V383 PolarHBondContact O-N 2.96Å; S380-S384 WeakPolarHBondContact O-CB 3.29Å; S380-S384 PolarHBondContact O-N 3.36Å; S380-L525 WeakPolarHBondContact O-CD1 3.46Å
381	I	98.4	Very high	97.1	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-62.6	-42.6	172.8	-71.3	169.8	0	0	0	111	I377 L378 S384 L385 F403 F447 W512 I516 L525 L527 I571	I377-I381 HydrophobicContact CG2-CD1 3.78Å; I377-I381 HydrophobicContact CG2-CG1 4.48Å; I377-I381 VanDerWaalsContact O-CG1 3.28Å; I377-I381 WeakPolarHBondContact O-CG1 3.23Å; I377-I381 PolarHBondContact O-N 2.83Å; L378-I381 PolarHBondContact O-N 2.7Å; I381-S384 PolarHBondContact O-N 3.35Å; I381-L385 PolarHBondContact O-N 3.46Å; I381-F403 HydrophobicContact CG2-CZ 3.91Å; I381-F447 HydrophobicContact CD1-CE2 4.34Å; I381-W512 HydrophobicContact CG2-CZ2 4.09Å; I381-W512 PolarHBondContact O-NE1 3.36Å; I381-I516 HydrophobicContact CG1-CD1 4.37Å; I381-I516 HydrophobicContact CG2-CD1 4.19Å; I381-L525 HydrophobicContact CG1-CD1 4.31Å; I381-L527 HydrophobicContact CD1-CD1 3.93Å; I381-L527 HydrophobicContact CG1-CD1 4.09Å; I381-I571 HydrophobicContact CG2-CD1 3.8Å; I381-I571 HydrophobicContact CG2-CG1 4.1Å; I381-I571 HydrophobicContact CG2-CG2 4.38Å
382	Y	97.8	Very high	96.9	Very high	20 Å²	20	6.7 Å²	6.7	8%	0.078	3%	0.031	C	C	.	.	H	α-helix	trans	-63.3	-46	176.9	174.5	-106.8	0	0	0	111.8	E178 L378 E379 S384 L385 R386 F403 I406 L407	E178-Y382 PolarHBondContact OE2-OH 3.01Å; L378-Y382 WeakPolarHBondContact O-CB 3.49Å; L378-Y382 PolarHBondContact O-N 2.79Å; E379-Y382 PolarHBondContact O-N 2.97Å; Y382-S384 VanDerWaalsContact C-N 3.26Å; Y382-S384 PolarHBondContact O-N 2.9Å; Y382-L385 HydrophobicContact CD2-CD2 4.41Å; Y382-L385 WeakPolarHBondContact O-CB 3.49Å; Y382-L385 PolarHBondContact O-N 2.58Å; Y382-L385 VanDerWaalsContact O-N 3.1Å; Y382-R386 HydrophobicContact CD1-CG 4.25Å; Y382-R386 HydrophobicContact CD2-CG 4.29Å; Y382-R386 HydrophobicContact CE1-CG 3.77Å; Y382-R386 HydrophobicContact CE2-CG 3.83Å; Y382-R386 WeakPolarHBondContact O-CG 3.44Å; Y382-R386 PolarHBondContact O-N 2.99Å; Y382-R386 PolarHBondContact OH-NH1 3.44Å; Y382-F403 HydrophobicContact CD2-CB 3.38Å; Y382-F403 AromaticContact CD2-CD1 4Å; Y382-F403 HydrophobicContact CD2-CD1 4Å; Y382-F403 AromaticContact CD2-CD2 3.87Å; Y382-F403 HydrophobicContact CD2-CD2 3.87Å; Y382-F403 AromaticContact CD2-CG 3.5Å; Y382-F403 HydrophobicContact CD2-CG 3.5Å; Y382-F403 HydrophobicContact CE2-CB 3.71Å; Y382-F403 HydrophobicContact CE2-CG 4.3Å; Y382-F403 HydrophobicContact CG-CB 4.17Å; Y382-F403 HydrophobicContact CG-CD1 4.18Å; Y382-F403 HydrophobicContact CG-CG 4.15Å; Y382-I406 HydrophobicContact CD1-CG2 3.85Å; Y382-I406 HydrophobicContact CD2-CG2 4.35Å; Y382-I406 HydrophobicContact CE1-CG2 4.46Å; Y382-I406 HydrophobicContact CG-CG2 3.76Å; Y382-L407 HydrophobicContact CD1-CD1 4.11Å; Y382-L407 HydrophobicContact CD1-CD2 3.85Å; Y382-L407 HydrophobicContact CD1-CG 3.9Å; Y382-L407 HydrophobicContact CE1-CD1 3.66Å; Y382-L407 HydrophobicContact CE1-CD2 4.26Å; Y382-L407 HydrophobicContact CE1-CG 3.82Å
383	V	97.1	Very high	96.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-56.6	-45.4	174.8	165.5	0	0	0	0	110.5	F158 L160 L171 E379 S380 L385 R386 R387	F158-V383 HydrophobicContact CB-CG1 3.82Å; F158-V383 HydrophobicContact CD1-CG1 4.45Å; F158-V383 HydrophobicContact CD1-CG2 4.14Å; F158-V383 HydrophobicContact CG-CG1 4.46Å; L160-V383 HydrophobicContact CD1-CG1 4.21Å; L160-V383 HydrophobicContact CD2-CB 4.07Å; L160-V383 HydrophobicContact CD2-CG1 3.56Å; L160-V383 HydrophobicContact CD2-CG2 4.43Å; L160-V383 HydrophobicContact CG-CG1 3.78Å; L171-V383 HydrophobicContact CB-CG2 3.96Å; L171-V383 HydrophobicContact CD1-CG2 3.83Å; L171-V383 HydrophobicContact CD2-CG2 4.08Å; L171-V383 HydrophobicContact CG-CG2 4.17Å; E379-V383 WeakPolarHBondContact O-CG2 3.39Å; E379-V383 PolarHBondContact O-N 2.75Å; S380-V383 PolarHBondContact O-N 2.96Å; V383-L385 VanDerWaalsContact C-N 3.34Å; V383-L385 PolarHBondContact O-N 2.94Å; V383-R386 PolarHBondContact O-N 3.07Å; V383-R387 HydrophobicContact CG1-CG 4.35Å; V383-R387 WeakPolarHBondContact O-CD 3.44Å; V383-R387 VanDerWaalsContact O-CG 3.22Å; V383-R387 WeakPolarHBondContact O-CG 3.38Å; V383-R387 PolarHBondContact O-N 2.92Å
384	S	97.2	Very high	96.7	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-62.7	-39.4	176.4	-172	0	0	0	0	112.5	S380 I381 Y382 R386 R387 N388 W512 E515	S380-S384 WeakPolarHBondContact O-CB 3.29Å; S380-S384 PolarHBondContact O-N 3.36Å; I381-S384 PolarHBondContact O-N 3.35Å; Y382-S384 VanDerWaalsContact C-N 3.26Å; Y382-S384 PolarHBondContact O-N 2.9Å; S384-R386 VanDerWaalsContact C-N 3.34Å; S384-R386 PolarHBondContact O-N 3.43Å; S384-R387 PolarHBondContact O-N 3.01Å; S384-N388 PolarHBondContact O-N 2.91Å; S384-N388 VanDerWaalsContact O-N 3.13Å; S384-N388 PolarHBondContact O-ND2 3.04Å; S384-N388 PolarHBondContact OG-ND2 2.98Å; S384-W512 VanDerWaalsContact C-CD1 3.46Å; S384-E515 VanDerWaalsContact CA-OE2 3.25Å; S384-E515 WeakPolarHBondContact CA-OE2 3.35Å; S384-E515 WeakPolarHBondContact CB-OE2 3.37Å; S384-E515 PolarHBondContact OG-OE2 2.92Å
385	L	97.5	Very high	96.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-57.9	-48.9	173.4	174.4	73.3	0	0	0	110.3	I381 Y382 V383 R387 N388 V389 Y396 V399 F403 W512	I381-L385 PolarHBondContact O-N 3.46Å; Y382-L385 HydrophobicContact CD2-CD2 4.41Å; Y382-L385 WeakPolarHBondContact O-CB 3.49Å; Y382-L385 PolarHBondContact O-N 2.58Å; Y382-L385 VanDerWaalsContact O-N 3.1Å; V383-L385 VanDerWaalsContact C-N 3.34Å; V383-L385 PolarHBondContact O-N 2.94Å; L385-R387 PolarHBondContact O-N 2.85Å; L385-N388 PolarHBondContact O-N 3.35Å; L385-V389 HydrophobicContact CD1-CB 3.8Å; L385-V389 HydrophobicContact CD1-CG1 4.24Å; L385-V389 HydrophobicContact CD1-CG2 3.81Å; L385-V389 PolarHBondContact O-N 2.77Å; L385-Y396 HydrophobicContact CD1-CD2 4.23Å; L385-Y396 HydrophobicContact CD2-CD2 4.02Å; L385-Y396 HydrophobicContact CD2-CE2 4.19Å; L385-Y396 HydrophobicContact CG-CD2 4.01Å; L385-Y396 HydrophobicContact CG-CE2 4.38Å; L385-V399 HydrophobicContact CD1-CG2 4.06Å; L385-V399 HydrophobicContact CD2-CG2 3.56Å; L385-V399 HydrophobicContact CG-CG2 4.48Å; L385-F403 HydrophobicContact CD2-CD2 4.22Å; L385-F403 HydrophobicContact CD2-CE2 4.27Å; L385-W512 VanDerWaalsContact CA-NE1 3.33Å; L385-W512 HydrophobicContact CB-CZ2 3.89Å; L385-W512 HydrophobicContact CD1-CD2 4.03Å; L385-W512 HydrophobicContact CD1-CE3 4.07Å; L385-W512 HydrophobicContact CD1-CH2 3.84Å; L385-W512 HydrophobicContact CD1-CZ2 3.76Å; L385-W512 HydrophobicContact CD1-CZ3 3.98Å; L385-W512 HydrophobicContact CG-CZ2 4.33Å; L385-W512 VanDerWaalsContact N-NE1 3.13Å
386	R	95.3	Very high	96.6	Very high	19 Å²	19	6.6 Å²	6.6	7%	0.072	3%	0.029	C	C	.	.	H	α-helix	trans	-65.3	-26.5	-179	-65.4	-54.8	-61.9	-89.2	-15.3	113.7	R154 F158 E178 Y382 V383 S384	R154-R386 VanDerWaalsContact CB-O 3.25Å; R154-R386 WeakPolarHBondContact CB-O 3.42Å; R154-R386 VanDerWaalsContact CD-O 3.23Å; R154-R386 WeakPolarHBondContact CD-O 3.21Å; F158-R386 HydrophobicContact CD2-CB 3.85Å; F158-R386 HydrophobicContact CE1-CB 4.2Å; F158-R386 HydrophobicContact CE1-CG 4.23Å; F158-R386 HydrophobicContact CE2-CB 3.5Å; F158-R386 VanDerWaalsContact CE2-CB 3.5Å; F158-R386 HydrophobicContact CE2-CG 4.1Å; F158-R386 HydrophobicContact CG-CB 4.37Å; F158-R386 HydrophobicContact CZ-CB 3.67Å; F158-R386 HydrophobicContact CZ-CG 3.76Å; E178-R386 IonicContact OE1-CZ 3.71Å; E178-R386 IonicContact OE1-NH1 3.31Å; E178-R386 PolarHBondContact OE1-NH1 2.98Å; E178-R386 IonicContact OE1-NH2 2.74Å; E178-R386 PolarHBondContact OE1-NH2 2.96Å; E178-R386 IonicContact OE2-CZ 3.29Å; E178-R386 IonicContact OE2-NH1 2.8Å; E178-R386 PolarHBondContact OE2-NH1 3.48Å; Y382-R386 HydrophobicContact CD1-CG 4.25Å; Y382-R386 HydrophobicContact CD2-CG 4.29Å; Y382-R386 HydrophobicContact CE1-CG 3.77Å; Y382-R386 HydrophobicContact CE2-CG 3.83Å; Y382-R386 WeakPolarHBondContact O-CG 3.44Å; Y382-R386 PolarHBondContact O-N 2.99Å; Y382-R386 PolarHBondContact OH-NH1 3.44Å; V383-R386 PolarHBondContact O-N 3.07Å; S384-R386 VanDerWaalsContact C-N 3.34Å; S384-R386 PolarHBondContact O-N 3.43Å
387	R	95.2	Very high	96.4	Very high	38 Å²	38	6.8 Å²	6.8	14%	0.143	3%	0.03	C	C	.	.	H	α-helix	trans	-83.2	-25.6	178.9	-70.8	166.8	59.1	72.2	9.5	113.8	V151 M155 F158 V383 S384 L385 E515	V151-R387 WeakPolarHBondContact CG1-O 3.29Å; M155-R387 PolarHBondContact O-NH1 3Å; F158-R387 HydrophobicContact CB-CG 3.81Å; F158-R387 PolarHBondContact O-NH1 3.39Å; V383-R387 HydrophobicContact CG1-CG 4.35Å; V383-R387 WeakPolarHBondContact O-CD 3.44Å; V383-R387 VanDerWaalsContact O-CG 3.22Å; V383-R387 WeakPolarHBondContact O-CG 3.38Å; V383-R387 PolarHBondContact O-N 2.92Å; S384-R387 PolarHBondContact O-N 3.01Å; L385-R387 PolarHBondContact O-N 2.85Å; R387-E515 IonicContact CZ-OE1 3.5Å; R387-E515 IonicContact NE-OE1 3.91Å; R387-E515 PolarHBondContact NE-OE1 2.86Å; R387-E515 IonicContact NE-OE2 3.81Å; R387-E515 IonicContact NH2-OE1 3.81Å; R387-E515 PolarHBondContact NH2-OE1 3.29Å
388	N	96.5	Very high	96.3	Very high	19 Å²	19	6.9 Å²	6.9	10%	0.102	3%	0.031	C	C	.	.	H	α-helix	trans	-120.3	-18.8	-169	-64	-83.4	0	0	0	114.9	S384 L385 E508 S511 W512 E515	S384-N388 PolarHBondContact O-N 2.91Å; S384-N388 VanDerWaalsContact O-N 3.13Å; S384-N388 PolarHBondContact O-ND2 3.04Å; S384-N388 PolarHBondContact OG-ND2 2.98Å; L385-N388 PolarHBondContact O-N 3.35Å; N388-E508 VanDerWaalsContact O-CB 3.29Å; N388-E508 WeakPolarHBondContact O-CB 3.25Å; N388-E508 WeakPolarHBondContact O-CG 3.45Å; N388-S511 WeakPolarHBondContact OD1-CB 3.24Å; N388-W512 HydrophobicContact CB-CB 3.89Å; N388-E515 PolarHBondContact ND2-OE2 3.26Å
389	V	96.9	Very high	96.3	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.006	3%	0.031	C	C	.	.	S	Bend	trans	-122.8	124.4	-172.6	-172.3	0	0	0	0	109.7	L385 H393 W512	L385-V389 HydrophobicContact CD1-CB 3.8Å; L385-V389 HydrophobicContact CD1-CG1 4.24Å; L385-V389 HydrophobicContact CD1-CG2 3.81Å; L385-V389 PolarHBondContact O-N 2.77Å; V389-H393 HydrophobicContact CG1-CB 3.37Å; V389-W512 HydrophobicContact CG2-CB 3.78Å; V389-W512 HydrophobicContact CG2-CD2 4.07Å; V389-W512 HydrophobicContact CG2-CE3 4.07Å; V389-W512 HydrophobicContact CG2-CG 3.96Å
390	S	94.3	Very high	96.1	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.034	C	C	.	.			trans	-68.8	154	177.4	150.7	0	0	0	0	111.2	E150 S392 H393 Y396 E508	E150-S390 PolarHBondContact OE1-OG 3.04Å; E150-S390 WeakPolarHBondContact OE2-CB 3.1Å; E150-S390 PolarHBondContact OE2-OG 2.81Å; S390-S392 PolarHBondContact O-N 2.89Å; S390-S392 PolarHBondContact OG-N 3.1Å; S390-S392 PolarHBondContact OG-OG 3.15Å; S390-H393 WeakPolarHBondContact O-CB 3.34Å; S390-H393 PolarHBondContact O-N 3.13Å; S390-Y396 WeakPolarHBondContact O-CB 3.32Å; S390-E508 PolarHBondContact N-OE2 3.1Å
391	Q	90.8	Very high	95.9	Very high	17 Å²	17	7.8 Å²	7.8	8%	0.079	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-32.5	-178.3	-98	172.1	-14.6	0	0	112.6	H119 E150 R154 H393 Y396 H397	H119-Q391 PolarHBondContact O-NE2 3.02Å; E150-Q391 WeakPolarHBondContact OE1-CB 3.44Å; E150-Q391 PolarHBondContact OE1-N 3.31Å; R154-Q391 VanDerWaalsContact NH2-CG 3.29Å; Q391-H393 PolarHBondContact O-N 3.47Å; Q391-Y396 HydrophobicContact CB-CD1 4.42Å; Q391-Y396 HydrophobicContact CB-CE1 4.28Å; Q391-Y396 HydrophobicContact CG-CD1 4.16Å; Q391-Y396 HydrophobicContact CG-CE1 3.58Å; Q391-Y396 HydrophobicContact CG-CE2 4.18Å; Q391-Y396 VanDerWaalsContact O-CD1 3.28Å; Q391-Y396 WeakPolarHBondContact O-CD1 3.1Å; Q391-H397 PolarHBondContact O-CD2 3.23Å; Q391-H397 PolarHBondContact O-NE2 3.44Å
392	S	91.9	Very high	95.8	Very high	10 Å²	10	8 Å²	8	7%	0.07	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-0.3	179.3	62.7	0	0	0	0	113.5	E134 A135 W136 R147 S390	E134-S392 WeakPolarHBondContact OE1-CB 3.38Å; E134-S392 PolarHBondContact OE1-OG 2.94Å; A135-S392 CarbonylContact C-O 3.47Å; A135-S392 VanDerWaalsContact CA-O 3.25Å; A135-S392 WeakPolarHBondContact CA-O 3.39Å; W136-S392 PolarHBondContact N-O 3.5Å; R147-S392 PolarHBondContact NH1-OG 3.22Å; S390-S392 PolarHBondContact O-N 2.89Å; S390-S392 PolarHBondContact OG-N 3.1Å; S390-S392 PolarHBondContact OG-OG 3.15Å
393	H	96	Very high	95.7	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	4%	0.035	C	C	.	.	S	Bend	trans	-67.3	132.3	175.8	-160.2	-90.4	0	0	0	111.4	R147 V389 S390 Q391 I395 Y396 H397 Y496 D506 E508	R147-H393 VanDerWaalsContact NH2-CB 3.35Å; R147-H393 PolarHBondContact NH2-CD2 3.28Å; V389-H393 HydrophobicContact CG1-CB 3.37Å; S390-H393 WeakPolarHBondContact O-CB 3.34Å; S390-H393 PolarHBondContact O-N 3.13Å; Q391-H393 PolarHBondContact O-N 3.47Å; H393-I395 VanDerWaalsContact ND1-CB 3.32Å; H393-I395 WeakPolarHBondContact ND1-CB 3.49Å; H393-I395 PolarHBondContact ND1-N 3.46Å; H393-I395 VanDerWaalsContact ND1-N 3.15Å; H393-I395 PolarHBondContact O-N 3.12Å; H393-I395 VanDerWaalsContact O-N 3.15Å; H393-Y396 WeakPolarHBondContact O-CA 3.49Å; H393-Y396 VanDerWaalsContact O-CB 3.3Å; H393-Y396 WeakPolarHBondContact O-CB 3.43Å; H393-Y396 PolarHBondContact O-N 3.29Å; H393-H397 PolarHBondContact O-N 2.82Å; H393-H397 VanDerWaalsContact O-N 3.11Å; H393-Y496 PolarHBondContact CE1-OH 3.39Å; H393-D506 IonicContact CE1-OD2 2.63Å; H393-D506 IonicContact NE2-OD1 2.74Å; H393-D506 IonicContact NE2-OD2 3.84Å; H393-D506 PolarHBondContact NE2-OD2 3.26Å; H393-D506 VanDerWaalsContact NE2-OD2 3.12Å; H393-E508 IonicContact CD2-OE2 3.97Å; H393-E508 PolarHBondContact CD2-OE2 3.16Å; H393-E508 IonicContact CG-OE2 3.12Å
394	P	96.6	Very high	95.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-57	-35.9	179.3	-25.1	31.2	0	0	0	113.7	A135 W136 I137 H397 L398 Y491 F495	A135-P394 HydrophobicContact CB-CG 4.27Å; W136-P394 VanDerWaalsContact C-CD 3.45Å; W136-P394 VanDerWaalsContact O-CD 3.22Å; W136-P394 WeakPolarHBondContact O-CD 3.21Å; I137-P394 HydrophobicContact CG2-CG 4.27Å; P394-H397 PolarHBondContact O-N 3.43Å; P394-L398 PolarHBondContact O-N 3.18Å; P394-L398 VanDerWaalsContact O-N 3.17Å; P394-Y491 HydrophobicContact CB-CE1 4.18Å; P394-Y491 VanDerWaalsContact O-CE1 3.24Å; P394-Y491 WeakPolarHBondContact O-CE1 3.41Å; P394-Y491 PolarHBondContact O-OH 3.04Å; P394-F495 HydrophobicContact CB-CB 4.01Å; P394-F495 HydrophobicContact CB-CD1 3.55Å; P394-F495 HydrophobicContact CB-CD2 3.7Å; P394-F495 HydrophobicContact CB-CE1 3.8Å; P394-F495 HydrophobicContact CB-CE2 3.99Å; P394-F495 HydrophobicContact CB-CG 3.47Å; P394-F495 VanDerWaalsContact CB-CG 3.47Å; P394-F495 HydrophobicContact CB-CZ 4.02Å; P394-F495 HydrophobicContact CG-CB 4.12Å; P394-F495 HydrophobicContact CG-CD1 3.28Å; P394-F495 HydrophobicContact CG-CD2 4.38Å; P394-F495 HydrophobicContact CG-CE1 3.63Å; P394-F495 HydrophobicContact CG-CG 3.69Å; P394-F495 HydrophobicContact CG-CZ 4.34Å
395	I	97.9	Very high	95.3	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	4%	0.044	C	C	.	.	H	α-helix	trans	-68	-37.1	175.9	-59	-52.3	0	0	0	111.6	H393 H397 L398 V399 V492 Y496 W512 L568	H393-I395 VanDerWaalsContact ND1-CB 3.32Å; H393-I395 WeakPolarHBondContact ND1-CB 3.49Å; H393-I395 PolarHBondContact ND1-N 3.46Å; H393-I395 VanDerWaalsContact ND1-N 3.15Å; H393-I395 PolarHBondContact O-N 3.12Å; H393-I395 VanDerWaalsContact O-N 3.15Å; I395-H397 VanDerWaalsContact C-N 3.35Å; I395-L398 PolarHBondContact O-N 3.28Å; I395-V399 WeakPolarHBondContact O-CG2 3.23Å; I395-V399 PolarHBondContact O-N 3.24Å; I395-V399 VanDerWaalsContact O-N 3.13Å; I395-V492 HydrophobicContact CD1-CG2 4.09Å; I395-Y496 HydrophobicContact CD1-CE2 4.15Å; I395-Y496 HydrophobicContact CG1-CE2 4.29Å; I395-W512 HydrophobicContact CG2-CZ3 3.79Å; I395-L568 HydrophobicContact CD1-CD1 3.74Å; I395-L568 HydrophobicContact CG2-CD1 4.24Å; I395-L568 HydrophobicContact CG2-CD2 3.47Å; I395-L568 VanDerWaalsContact CG2-CD2 3.47Å; I395-L568 HydrophobicContact CG2-CG 4.48Å
396	Y	96.6	Very high	95.2	Very high	9 Å²	9	9.5 Å²	9.5	4%	0.035	4%	0.044	C	C	.	.	H	α-helix	trans	-59.2	-48.8	173.4	-177.9	-83.4	0	0	0	110.2	L385 S390 Q391 H393 L398 V399 A400 F671	L385-Y396 HydrophobicContact CD1-CD2 4.23Å; L385-Y396 HydrophobicContact CD2-CD2 4.02Å; L385-Y396 HydrophobicContact CD2-CE2 4.19Å; L385-Y396 HydrophobicContact CG-CD2 4.01Å; L385-Y396 HydrophobicContact CG-CE2 4.38Å; S390-Y396 WeakPolarHBondContact O-CB 3.32Å; Q391-Y396 HydrophobicContact CB-CD1 4.42Å; Q391-Y396 HydrophobicContact CB-CE1 4.28Å; Q391-Y396 HydrophobicContact CG-CD1 4.16Å; Q391-Y396 HydrophobicContact CG-CE1 3.58Å; Q391-Y396 HydrophobicContact CG-CE2 4.18Å; Q391-Y396 VanDerWaalsContact O-CD1 3.28Å; Q391-Y396 WeakPolarHBondContact O-CD1 3.1Å; H393-Y396 WeakPolarHBondContact O-CA 3.49Å; H393-Y396 VanDerWaalsContact O-CB 3.3Å; H393-Y396 WeakPolarHBondContact O-CB 3.43Å; H393-Y396 PolarHBondContact O-N 3.29Å; Y396-L398 PolarHBondContact O-N 2.91Å; Y396-V399 PolarHBondContact O-N 2.63Å; Y396-V399 VanDerWaalsContact O-N 3.16Å; Y396-A400 HydrophobicContact CD1-CB 3.82Å; Y396-A400 HydrophobicContact CE1-CB 3.45Å; Y396-A400 VanDerWaalsContact CE1-CB 3.45Å; Y396-A400 HydrophobicContact CE2-CB 4.38Å; Y396-A400 HydrophobicContact CG-CB 4.4Å; Y396-A400 WeakPolarHBondContact O-CB 3.23Å; Y396-A400 PolarHBondContact O-N 3.47Å; Y396-F671 HydrophobicContact CE1-CD1 4.39Å; Y396-F671 AromaticContact CE1-CE1 4Å; Y396-F671 HydrophobicContact CE1-CE1 4Å
397	H	95.4	Very high	95.2	Very high	6 Å²	6	8.8 Å²	8.8	3%	0.028	4%	0.041	C	C	.	.	H	α-helix	trans	-56.5	-36.8	177.5	-62.4	164.1	0	0	0	113.5	E134 Q391 H393 P394 I395 P401 F671	E134-H397 PolarHBondContact O-CE1 2.88Å; Q391-H397 PolarHBondContact O-CD2 3.23Å; Q391-H397 PolarHBondContact O-NE2 3.44Å; H393-H397 PolarHBondContact O-N 2.82Å; H393-H397 VanDerWaalsContact O-N 3.11Å; P394-H397 PolarHBondContact O-N 3.43Å; I395-H397 VanDerWaalsContact C-N 3.35Å; H397-P401 WeakPolarHBondContact O-CD 3.43Å; H397-F671 HydrophobicContact CB-CB 3.78Å; H397-F671 PolarHBondContact ND1-O 3.46Å
398	L	97	Very high	95.2	Very high	2 Å²	2	7.4 Å²	7.4	1%	0.01	4%	0.037	C	C	.	.	H	α-helix	trans	-69.2	-42.5	178.8	179.7	66	0	0	0	112.1	P394 I395 Y396 H402 F487 T488 Y491 L568	P394-L398 PolarHBondContact O-N 3.18Å; P394-L398 VanDerWaalsContact O-N 3.17Å; I395-L398 PolarHBondContact O-N 3.28Å; Y396-L398 PolarHBondContact O-N 2.91Å; L398-H402 PolarHBondContact O-CD2 2.98Å; L398-F487 HydrophobicContact CD1-CD1 4.16Å; L398-F487 HydrophobicContact CD1-CE1 3.4Å; L398-F487 HydrophobicContact CD1-CZ 3.82Å; L398-T488 HydrophobicContact CD2-CG2 4.04Å; L398-Y491 HydrophobicContact CB-CD1 4.22Å; L398-Y491 HydrophobicContact CB-CE1 3.9Å; L398-Y491 HydrophobicContact CD1-CD1 4.31Å; L398-Y491 HydrophobicContact CD1-CG 4.24Å; L398-Y491 HydrophobicContact CD2-CD1 4.02Å; L398-Y491 HydrophobicContact CD2-CE1 4.49Å; L398-Y491 HydrophobicContact CG-CD1 4.42Å; L398-L568 HydrophobicContact CD2-CD1 4.11Å
399	V	97.3	Very high	95.2	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-97.6	-26.9	-170.5	-55.8	0	0	0	0	114.2	L385 I395 Y396 P401 H402 F403 W512 L568 L572	L385-V399 HydrophobicContact CD1-CG2 4.06Å; L385-V399 HydrophobicContact CD2-CG2 3.56Å; L385-V399 HydrophobicContact CG-CG2 4.48Å; I395-V399 WeakPolarHBondContact O-CG2 3.23Å; I395-V399 PolarHBondContact O-N 3.24Å; I395-V399 VanDerWaalsContact O-N 3.13Å; Y396-V399 PolarHBondContact O-N 2.63Å; Y396-V399 VanDerWaalsContact O-N 3.16Å; V399-P401 VanDerWaalsContact C-CD 3.43Å; V399-H402 WeakPolarHBondContact O-CB 3.32Å; V399-H402 PolarHBondContact O-N 2.74Å; V399-F403 HydrophobicContact CB-CE2 4.31Å; V399-F403 HydrophobicContact CG2-CE2 4.31Å; V399-F403 WeakPolarHBondContact O-CD2 3.23Å; V399-W512 HydrophobicContact CG2-CH2 4.34Å; V399-L568 HydrophobicContact CG1-CD2 3.9Å; V399-L572 HydrophobicContact CG1-CD2 4.48Å
400	A	94.4	Very high	95.2	Very high	9 Å²	9	6.4 Å²	6.4	7%	0.074	3%	0.032	C	C	.	.	G	3₁₀ helix	trans	-56.5	-40.7	-175.2	0	0	0	0	0	114.2	Y396 H402 F403 F671	Y396-A400 HydrophobicContact CD1-CB 3.82Å; Y396-A400 HydrophobicContact CE1-CB 3.45Å; Y396-A400 VanDerWaalsContact CE1-CB 3.45Å; Y396-A400 HydrophobicContact CE2-CB 4.38Å; Y396-A400 HydrophobicContact CG-CB 4.4Å; Y396-A400 WeakPolarHBondContact O-CB 3.23Å; Y396-A400 PolarHBondContact O-N 3.47Å; A400-H402 PolarHBondContact O-N 3.44Å; A400-H402 VanDerWaalsContact O-N 3.08Å; A400-F403 PolarHBondContact O-N 3.02Å; A400-F671 HydrophobicContact CB-CE1 4.27Å; A400-F671 HydrophobicContact CB-CZ 4.28Å
401	P	94.3	Very high	95.2	Very high	12 Å²	12	10.8 Å²	10.8	8%	0.078	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-57.4	-28	175.8	-24.4	33.6	0	0	0	113.2	H397 V399 F403 Y667 F671 Y719	H397-P401 WeakPolarHBondContact O-CD 3.43Å; V399-P401 VanDerWaalsContact C-CD 3.43Å; P401-F403 VanDerWaalsContact C-N 3.27Å; P401-F403 PolarHBondContact O-N 3.1Å; P401-Y667 HydrophobicContact CB-CD1 3.42Å; P401-Y667 VanDerWaalsContact CB-CD1 3.42Å; P401-Y667 HydrophobicContact CB-CE1 3.58Å; P401-Y667 HydrophobicContact CB-CG 4.08Å; P401-Y667 HydrophobicContact CG-CD1 4.12Å; P401-Y667 HydrophobicContact CG-CE1 4.18Å; P401-Y667 HydrophobicContact CG-CG 4.38Å; P401-F671 HydrophobicContact CG-CD2 3.69Å; P401-F671 HydrophobicContact CG-CE2 4.1Å; P401-F671 HydrophobicContact CG-CG 4.49Å; P401-Y719 WeakPolarHBondContact O-CD1 3.41Å
402	H	96.8	Very high	95.4	Very high	3 Å²	3	11.6 Å²	11.6	1%	0.014	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-84.8	-0.1	-177.5	-56.4	-67	0	0	0	113.7	L398 V399 A400 L572 I576 Y667 N718	L398-H402 PolarHBondContact O-CD2 2.98Å; V399-H402 WeakPolarHBondContact O-CB 3.32Å; V399-H402 PolarHBondContact O-N 2.74Å; A400-H402 PolarHBondContact O-N 3.44Å; A400-H402 VanDerWaalsContact O-N 3.08Å; H402-L572 HydrophobicContact CB-CD2 4.17Å; H402-L572 WeakPolarHBondContact CD2-CD2 3.44Å; H402-I576 VanDerWaalsContact CE1-CD1 3.5Å; H402-I576 WeakPolarHBondContact CE1-CD1 3.34Å; H402-I576 WeakPolarHBondContact ND1-CD1 3.38Å; H402-Y667 AromaticContact CE1-CE1 3.78Å; H402-Y667 AromaticContact NE2-CE1 3.95Å; H402-Y667 PolarHBondContact NE2-OH 3.46Å; H402-N718 VanDerWaalsContact CA-O 3.31Å; H402-N718 WeakPolarHBondContact CA-O 3.38Å; H402-N718 WeakPolarHBondContact CB-O 3.28Å; H402-N718 PolarHBondContact ND1-O 3.46Å
403	F	95.6	Very high	95.6	Very high	3 Å²	3	11.2 Å²	11.2	1%	0.013	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-115.6	-1	176	-73.2	-66.8	0	0	0	114.4	L378 I381 Y382 L385 V399 A400 P401 S405 I406 I571	L378-F403 HydrophobicContact CB-CE1 4.37Å; L378-F403 HydrophobicContact CD2-CE1 4.13Å; I381-F403 HydrophobicContact CG2-CZ 3.91Å; Y382-F403 HydrophobicContact CD2-CB 3.38Å; Y382-F403 AromaticContact CD2-CD1 4Å; Y382-F403 HydrophobicContact CD2-CD1 4Å; Y382-F403 AromaticContact CD2-CD2 3.87Å; Y382-F403 HydrophobicContact CD2-CD2 3.87Å; Y382-F403 AromaticContact CD2-CG 3.5Å; Y382-F403 HydrophobicContact CD2-CG 3.5Å; Y382-F403 HydrophobicContact CE2-CB 3.71Å; Y382-F403 HydrophobicContact CE2-CG 4.3Å; Y382-F403 HydrophobicContact CG-CB 4.17Å; Y382-F403 HydrophobicContact CG-CD1 4.18Å; Y382-F403 HydrophobicContact CG-CG 4.15Å; L385-F403 HydrophobicContact CD2-CD2 4.22Å; L385-F403 HydrophobicContact CD2-CE2 4.27Å; V399-F403 HydrophobicContact CB-CE2 4.31Å; V399-F403 HydrophobicContact CG2-CE2 4.31Å; V399-F403 WeakPolarHBondContact O-CD2 3.23Å; A400-F403 PolarHBondContact O-N 3.02Å; P401-F403 VanDerWaalsContact C-N 3.27Å; P401-F403 PolarHBondContact O-N 3.1Å; F403-S405 PolarHBondContact O-N 3.24Å; F403-I406 HydrophobicContact CB-CG2 4.09Å; F403-I406 HydrophobicContact CD1-CB 4.14Å; F403-I406 HydrophobicContact CD1-CG1 4.37Å; F403-I406 HydrophobicContact CD1-CG2 3.95Å; F403-I406 HydrophobicContact CG-CG2 4.49Å; F403-I406 WeakPolarHBondContact O-CG2 3.42Å; F403-I406 PolarHBondContact O-N 2.98Å; F403-I571 HydrophobicContact CE1-CG2 4.4Å; F403-I571 HydrophobicContact CE2-CG2 3.81Å; F403-I571 HydrophobicContact CZ-CG2 3.41Å; F403-I571 VanDerWaalsContact CZ-CG2 3.41Å
404	R	91.7	Very high	95.7	Very high	48 Å²	48	12.2 Å²	12.2	18%	0.181	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.6	-34.3	-171	175.4	58.1	-174.7	80.2	5.1	115.8	F180 S182 D183 E668 Y719	F180-R404 VanDerWaalsContact CB-NH2 3.26Å; F180-R404 VanDerWaalsContact CD2-NH1 3.34Å; F180-R404 VanDerWaalsContact CG-CZ 3.49Å; S182-R404 PolarHBondContact OG-NH2 3.36Å; D183-R404 IonicContact OD1-CZ 2.72Å; D183-R404 IonicContact OD1-NH1 2.66Å; D183-R404 PolarHBondContact OD1-NH1 3.19Å; D183-R404 IonicContact OD1-NH2 2.92Å; D183-R404 IonicContact OD2-NH1 3.72Å; R404-E668 IonicContact NE-OE2 3.92Å; R404-Y719 HydrophobicContact CB-CD1 3.66Å; R404-Y719 HydrophobicContact CB-CE1 3.92Å; R404-Y719 HydrophobicContact CB-CG 4.2Å; R404-Y719 HydrophobicContact CG-CD1 4.33Å; R404-Y719 HydrophobicContact CG-CE1 4.06Å
405	S	92.5	Very high	95.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	1.5	-177.1	57	0	0	0	0	114.3	F403 L407 P408 V409 Y719 P720	F403-S405 PolarHBondContact O-N 3.24Å; S405-L407 VanDerWaalsContact C-N 3.29Å; S405-L407 PolarHBondContact O-N 3.17Å; S405-P408 VanDerWaalsContact O-CD 3.28Å; S405-P408 WeakPolarHBondContact O-CD 3.28Å; S405-P408 WeakPolarHBondContact O-CG 3.2Å; S405-V409 VanDerWaalsContact O-CB 3.27Å; S405-V409 WeakPolarHBondContact O-CB 3.32Å; S405-V409 WeakPolarHBondContact O-CG2 3.38Å; S405-V409 PolarHBondContact O-N 3.09Å; S405-V409 VanDerWaalsContact O-N 3.08Å; S405-Y719 WeakPolarHBondContact OG-CD2 3.48Å; S405-P720 WeakPolarHBondContact CB-O 3.31Å; S405-P720 PolarHBondContact OG-O 3.26Å
406	I	96.3	Very high	95.6	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-59.5	-41.2	-168.2	-170.6	57.6	0	0	0	111.9	L378 E379 Y382 F403 T410 P720	L378-I406 HydrophobicContact CB-CD1 3.61Å; L378-I406 HydrophobicContact CB-CG1 4.05Å; L378-I406 HydrophobicContact CD1-CD1 4.41Å; E379-I406 HydrophobicContact CB-CG1 4.44Å; Y382-I406 HydrophobicContact CD1-CG2 3.85Å; Y382-I406 HydrophobicContact CD2-CG2 4.35Å; Y382-I406 HydrophobicContact CE1-CG2 4.46Å; Y382-I406 HydrophobicContact CG-CG2 3.76Å; F403-I406 HydrophobicContact CB-CG2 4.09Å; F403-I406 HydrophobicContact CD1-CB 4.14Å; F403-I406 HydrophobicContact CD1-CG1 4.37Å; F403-I406 HydrophobicContact CD1-CG2 3.95Å; F403-I406 HydrophobicContact CG-CG2 4.49Å; F403-I406 WeakPolarHBondContact O-CG2 3.42Å; F403-I406 PolarHBondContact O-N 2.98Å; I406-T410 WeakPolarHBondContact O-CB 3.34Å; I406-T410 PolarHBondContact O-N 3.37Å; I406-T410 PolarHBondContact O-OG1 3.15Å; I406-P720 HydrophobicContact CD1-CB 4.37Å; I406-P720 HydrophobicContact CD1-CG 4.18Å
407	L	96.1	Very high	95.6	Very high	4 Å²	4	14 Å²	14	2%	0.021	6%	0.064	C	C	.	.	H	α-helix	trans	-69.3	-57.3	-178.5	-62.5	-168	0	0	0	113.2	L171 I174 E178 E379 Y382 S405 V409 T410 K411	L171-L407 HydrophobicContact CD2-CD1 3.83Å; L171-L407 HydrophobicContact CD2-CD2 3.74Å; L171-L407 HydrophobicContact CD2-CG 4.42Å; I174-L407 HydrophobicContact CD1-CB 3.91Å; I174-L407 HydrophobicContact CG1-CB 4.21Å; I174-L407 HydrophobicContact CG2-CB 4.34Å; I174-L407 HydrophobicContact CG2-CD1 3.92Å; E178-L407 HydrophobicContact CB-CD1 3.88Å; E178-L407 HydrophobicContact CG-CD1 4.14Å; E379-L407 HydrophobicContact CG-CD2 3.79Å; Y382-L407 HydrophobicContact CD1-CD1 4.11Å; Y382-L407 HydrophobicContact CD1-CD2 3.85Å; Y382-L407 HydrophobicContact CD1-CG 3.9Å; Y382-L407 HydrophobicContact CE1-CD1 3.66Å; Y382-L407 HydrophobicContact CE1-CD2 4.26Å; Y382-L407 HydrophobicContact CE1-CG 3.82Å; S405-L407 VanDerWaalsContact C-N 3.29Å; S405-L407 PolarHBondContact O-N 3.17Å; L407-V409 VanDerWaalsContact C-N 3.29Å; L407-V409 PolarHBondContact O-N 2.93Å; L407-T410 PolarHBondContact O-N 3.12Å; L407-K411 WeakPolarHBondContact O-CB 3.4Å; L407-K411 PolarHBondContact O-N 2.75Å
408	P	94.9	Very high	95.6	Very high	9 Å²	9	13.9 Å²	13.9	6%	0.058	6%	0.064	C	C	.	.	H	α-helix	trans	-62.2	-37	-179.5	24.4	-35.7	0	0	0	112.4	L179 D183 S405 K412	L179-P408 HydrophobicContact CD2-CB 4.37Å; D183-P408 HydrophobicContact CB-CB 3.86Å; D183-P408 HydrophobicContact CB-CG 3.97Å; S405-P408 VanDerWaalsContact O-CD 3.28Å; S405-P408 WeakPolarHBondContact O-CD 3.28Å; S405-P408 WeakPolarHBondContact O-CG 3.2Å; P408-K412 WeakPolarHBondContact O-CG 3.24Å; P408-K412 PolarHBondContact O-N 3.41Å
409	V	95.1	Very high	95.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-68.3	-45	177.5	174.8	0	0	0	0	111.4	W186 H375 S405 L407 K411 K412 L413 G721 I722	W186-V409 HydrophobicContact CD2-CG2 3.65Å; W186-V409 HydrophobicContact CE3-CG2 4.01Å; W186-V409 HydrophobicContact CG-CG2 4.01Å; W186-V409 HydrophobicContact CH2-CG2 4.38Å; W186-V409 HydrophobicContact CZ2-CG2 4.08Å; W186-V409 HydrophobicContact CZ3-CG2 4.35Å; H375-V409 WeakPolarHBondContact CE1-CG1 3.49Å; S405-V409 VanDerWaalsContact O-CB 3.27Å; S405-V409 WeakPolarHBondContact O-CB 3.32Å; S405-V409 WeakPolarHBondContact O-CG2 3.38Å; S405-V409 PolarHBondContact O-N 3.09Å; S405-V409 VanDerWaalsContact O-N 3.08Å; L407-V409 VanDerWaalsContact C-N 3.29Å; L407-V409 PolarHBondContact O-N 2.93Å; V409-K411 VanDerWaalsContact C-N 3.3Å; V409-K411 PolarHBondContact O-N 2.82Å; V409-K412 PolarHBondContact O-N 3.44Å; V409-L413 HydrophobicContact CG1-CD1 4.23Å; V409-L413 HydrophobicContact CG1-CG 4.49Å; V409-L413 WeakPolarHBondContact O-CG 3.47Å; V409-L413 PolarHBondContact O-N 2.66Å; V409-G721 VanDerWaalsContact CG1-C 3.49Å; V409-G721 WeakPolarHBondContact CG1-O 3.5Å; V409-I722 HydrophobicContact CB-CG2 4.43Å; V409-I722 HydrophobicContact CG1-CG2 4.04Å; V409-I722 HydrophobicContact CG2-CG2 4.1Å
410	T	96.9	Very high	95.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.5	-35.4	179.3	-56.8	0	0	0	0	111.2	H375 L376 E379 I406 L407 L413 K414	H375-T410 HydrophobicContact CB-CG2 4.16Å; H375-T410 PolarHBondContact ND1-OG1 3.18Å; L376-T410 HydrophobicContact CD2-CG2 3.92Å; E379-T410 HydrophobicContact CB-CG2 4.05Å; E379-T410 HydrophobicContact CG-CG2 4.43Å; I406-T410 WeakPolarHBondContact O-CB 3.34Å; I406-T410 PolarHBondContact O-N 3.37Å; I406-T410 PolarHBondContact O-OG1 3.15Å; L407-T410 PolarHBondContact O-N 3.12Å; T410-L413 PolarHBondContact O-N 3.41Å; T410-K414 HydrophobicContact CG2-CD 4.47Å; T410-K414 WeakPolarHBondContact O-CB 3.29Å; T410-K414 WeakPolarHBondContact O-CE 3.48Å; T410-K414 VanDerWaalsContact O-CG 3.3Å; T410-K414 WeakPolarHBondContact O-CG 3.39Å; T410-K414 PolarHBondContact O-N 2.83Å
411	K	95.7	Very high	95.2	Very high	92 Å²	92	25 Å²	25	40%	0.4	12%	0.12	S	C	.	.	H	α-helix	trans	-57.7	-51.5	169	176.7	175	174	-179.2	0	111.4	I174 L407 V409 L413 K414 E415	I174-K411 HydrophobicContact CD1-CB 3.9Å; I174-K411 HydrophobicContact CD1-CD 3.84Å; I174-K411 HydrophobicContact CD1-CG 4.46Å; L407-K411 WeakPolarHBondContact O-CB 3.4Å; L407-K411 PolarHBondContact O-N 2.75Å; V409-K411 VanDerWaalsContact C-N 3.3Å; V409-K411 PolarHBondContact O-N 2.82Å; K411-L413 PolarHBondContact O-N 2.65Å; K411-K414 WeakPolarHBondContact O-CB 3.39Å; K411-K414 PolarHBondContact O-N 3.05Å; K411-K414 VanDerWaalsContact O-N 3.13Å; K411-E415 WeakPolarHBondContact CE-OE1 3.46Å; K411-E415 WeakPolarHBondContact CG-OE1 3.48Å; K411-E415 WeakPolarHBondContact O-CG 3.44Å; K411-E415 PolarHBondContact O-N 2.89Å
412	K	95.1	Very high	95.2	Very high	33 Å²	33	24.7 Å²	24.7	14%	0.143	12%	0.117	C	C	.	.	H	α-helix	trans	-61.6	-40.1	178.2	-73.3	-73.8	164.4	-167.4	0	112.9	W186 D187 P408 V409 K414 E415 W416 I722	W186-K412 HydrophobicContact CB-CG 4.34Å; D187-K412 IonicContact OD1-NZ 2.99Å; D187-K412 PolarHBondContact OD1-NZ 2.85Å; D187-K412 IonicContact OD2-NZ 3.7Å; D187-K412 PolarHBondContact OD2-NZ 3.42Å; P408-K412 WeakPolarHBondContact O-CG 3.24Å; P408-K412 PolarHBondContact O-N 3.41Å; V409-K412 PolarHBondContact O-N 3.44Å; K412-K414 VanDerWaalsContact C-N 3.35Å; K412-K414 PolarHBondContact O-N 3.33Å; K412-E415 WeakPolarHBondContact CD-OE2 3.46Å; K412-E415 WeakPolarHBondContact CE-OE2 3.43Å; K412-E415 IonicContact NZ-OE2 2.64Å; K412-E415 PolarHBondContact NZ-OE2 3.18Å; K412-E415 PolarHBondContact O-N 3.26Å; K412-W416 WeakPolarHBondContact O-CB 3.14Å; K412-W416 VanDerWaalsContact O-CG 3.24Å; K412-W416 PolarHBondContact O-N 3.03Å; K412-I722 HydrophobicContact CB-CG2 4.45Å
413	L	96.2	Very high	95.3	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.016	12%	0.116	C	C	.	.	H	α-helix	trans	-63.6	-38.8	174.2	-73.6	175.2	0	0	0	112.4	L372 H375 V409 T410 K411 W416 T417 I423	L372-L413 HydrophobicContact CD1-CB 4.41Å; H375-L413 HydrophobicContact CB-CD1 4.05Å; H375-L413 WeakPolarHBondContact CD2-CD1 3.36Å; H375-L413 VanDerWaalsContact CG-CD1 3.45Å; H375-L413 WeakPolarHBondContact NE2-CD1 3.33Å; V409-L413 HydrophobicContact CG1-CD1 4.23Å; V409-L413 HydrophobicContact CG1-CG 4.49Å; V409-L413 WeakPolarHBondContact O-CG 3.47Å; V409-L413 PolarHBondContact O-N 2.66Å; T410-L413 PolarHBondContact O-N 3.41Å; K411-L413 PolarHBondContact O-N 2.65Å; L413-W416 HydrophobicContact CD2-CE3 4.13Å; L413-W416 HydrophobicContact CD2-CZ3 4.44Å; L413-T417 VanDerWaalsContact O-CB 3.25Å; L413-T417 WeakPolarHBondContact O-CB 3.38Å; L413-T417 PolarHBondContact O-N 3.17Å; L413-T417 PolarHBondContact O-OG1 2.89Å; L413-I423 HydrophobicContact CD2-CD1 4.36Å
414	K	96.7	Very high	95.3	Very high	21 Å²	21	25.4 Å²	25.4	9%	0.091	12%	0.122	C	C	.	.	H	α-helix	trans	-64	-46.9	173.6	-74.6	-179.8	-69.7	-159.2	0	110.9	E170 L372 L376 E379 T410 K411 K412 T417 F418	E170-K414 VanDerWaalsContact OE2-CD 3.24Å; E170-K414 WeakPolarHBondContact OE2-CD 3.45Å; L372-K414 HydrophobicContact CD1-CG 4.41Å; L376-K414 HydrophobicContact CD2-CD 3.95Å; L376-K414 HydrophobicContact CD2-CG 4.18Å; E379-K414 IonicContact OE1-NZ 3.52Å; E379-K414 PolarHBondContact OE1-NZ 3.43Å; E379-K414 IonicContact OE2-NZ 3.83Å; E379-K414 PolarHBondContact OE2-NZ 2.89Å; T410-K414 HydrophobicContact CG2-CD 4.47Å; T410-K414 WeakPolarHBondContact O-CB 3.29Å; T410-K414 WeakPolarHBondContact O-CE 3.48Å; T410-K414 VanDerWaalsContact O-CG 3.3Å; T410-K414 WeakPolarHBondContact O-CG 3.39Å; T410-K414 PolarHBondContact O-N 2.83Å; K411-K414 WeakPolarHBondContact O-CB 3.39Å; K411-K414 PolarHBondContact O-N 3.05Å; K411-K414 VanDerWaalsContact O-N 3.13Å; K412-K414 VanDerWaalsContact C-N 3.35Å; K412-K414 PolarHBondContact O-N 3.33Å; K414-T417 PolarHBondContact O-N 2.96Å; K414-F418 HydrophobicContact CB-CD2 4.36Å; K414-F418 WeakPolarHBondContact O-CB 3.47Å; K414-F418 WeakPolarHBondContact O-CD2 3.27Å; K414-F418 PolarHBondContact O-N 2.89Å
415	E	96	Very high	95.5	Very high	41 Å²	41	26.1 Å²	26.1	19%	0.192	13%	0.125	C	C	.	.	H	α-helix	trans	-57.6	-53.1	175.3	-71.7	171.8	-171.1	0	0	110.7	K411 K412 T417 F418 E419	K411-E415 WeakPolarHBondContact CE-OE1 3.46Å; K411-E415 WeakPolarHBondContact CG-OE1 3.48Å; K411-E415 WeakPolarHBondContact O-CG 3.44Å; K411-E415 PolarHBondContact O-N 2.89Å; K412-E415 WeakPolarHBondContact CD-OE2 3.46Å; K412-E415 WeakPolarHBondContact CE-OE2 3.43Å; K412-E415 IonicContact NZ-OE2 2.64Å; K412-E415 PolarHBondContact NZ-OE2 3.18Å; K412-E415 PolarHBondContact O-N 3.26Å; E415-T417 PolarHBondContact O-N 2.83Å; E415-T417 VanDerWaalsContact O-N 3.17Å; E415-F418 PolarHBondContact O-N 3.27Å; E415-E419 CarbonylContact O-C 3.56Å; E415-E419 VanDerWaalsContact O-CA 3.31Å; E415-E419 WeakPolarHBondContact O-CA 3.45Å; E415-E419 VanDerWaalsContact O-CB 3.32Å; E415-E419 WeakPolarHBondContact O-CB 3.24Å; E415-E419 PolarHBondContact O-N 2.96Å
416	W	96.6	Very high	95.7	Very high	5 Å²	5	26.1 Å²	26.1	2%	0.019	13%	0.125	C	C	.	.	H	α-helix	trans	-59.4	-33.8	180	-69.4	-9	0	0	0	113.6	I188 K412 L413 G421 W422 I423 S424 Y652 I722	I188-W416 HydrophobicContact CD1-CH2 3.84Å; I188-W416 HydrophobicContact CD1-CZ2 4.04Å; I188-W416 HydrophobicContact CG1-CH2 3.98Å; I188-W416 HydrophobicContact CG1-CZ2 3.69Å; K412-W416 WeakPolarHBondContact O-CB 3.14Å; K412-W416 VanDerWaalsContact O-CG 3.24Å; K412-W416 PolarHBondContact O-N 3.03Å; L413-W416 HydrophobicContact CD2-CE3 4.13Å; L413-W416 HydrophobicContact CD2-CZ3 4.44Å; W416-G421 CarbonylContact O-C 3.48Å; W416-W422 AromaticContact CD2-CD1 3.55Å; W416-W422 AromaticContact CD2-NE1 3.3Å; W416-W422 VanDerWaalsContact CD2-NE1 3.3Å; W416-W422 AromaticContact CE2-CD1 3.89Å; W416-W422 AromaticContact CE2-NE1 3.87Å; W416-W422 AromaticContact CE3-CD1 3.86Å; W416-W422 AromaticContact CE3-NE1 3.08Å; W416-W422 AromaticContact CG-CD1 3.73Å; W416-W422 AromaticContact CG-NE1 3.87Å; W416-W422 AromaticContact CH2-NE1 3.99Å; W416-W422 AromaticContact CZ3-NE1 3.46Å; W416-I423 HydrophobicContact CB-CB 4.3Å; W416-I423 HydrophobicContact CB-CD1 3.86Å; W416-I423 HydrophobicContact CB-CG1 4.05Å; W416-I423 HydrophobicContact CE3-CD1 4.13Å; W416-I423 WeakPolarHBondContact O-CB 3.02Å; W416-S424 WeakPolarHBondContact O-CB 3.37Å; W416-S424 PolarHBondContact O-N 3.25Å; W416-Y652 HydrophobicContact CZ2-CD1 4.25Å; W416-Y652 HydrophobicContact CZ2-CE1 4.35Å; W416-I722 HydrophobicContact CH2-CB 3.9Å; W416-I722 HydrophobicContact CH2-CD1 4.01Å; W416-I722 HydrophobicContact CH2-CG1 4.37Å; W416-I722 HydrophobicContact CH2-CG2 4.37Å; W416-I722 HydrophobicContact CZ3-CB 4.18Å
417	T	97.5	Very high	95.8	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-88.2	-35.2	-176.1	-53.9	0	0	0	0	113.2	I368 L372 L413 K414 E415 I423 S424 I434	I368-T417 HydrophobicContact CD1-CG2 4.09Å; L372-T417 HydrophobicContact CD2-CG2 3.84Å; L413-T417 VanDerWaalsContact O-CB 3.25Å; L413-T417 WeakPolarHBondContact O-CB 3.38Å; L413-T417 PolarHBondContact O-N 3.17Å; L413-T417 PolarHBondContact O-OG1 2.89Å; K414-T417 PolarHBondContact O-N 2.96Å; E415-T417 PolarHBondContact O-N 2.83Å; E415-T417 VanDerWaalsContact O-N 3.17Å; T417-I423 HydrophobicContact CG2-CG2 4.45Å; T417-S424 WeakPolarHBondContact O-CB 3.48Å; T417-I434 HydrophobicContact CG2-CD1 3.74Å; T417-I434 HydrophobicContact CG2-CG2 3.94Å
418	F	96	Very high	95.9	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-113.3	-15	-171.2	-62.4	-60.8	0	0	0	114.5	L372 K414 E415 R431 I434 K435 L438	L372-F418 HydrophobicContact CD2-CE2 4.02Å; L372-F418 HydrophobicContact CD2-CZ 4.03Å; K414-F418 HydrophobicContact CB-CD2 4.36Å; K414-F418 WeakPolarHBondContact O-CB 3.47Å; K414-F418 WeakPolarHBondContact O-CD2 3.27Å; K414-F418 PolarHBondContact O-N 2.89Å; E415-F418 PolarHBondContact O-N 3.27Å; F418-R431 PolarHBondContact O-NE 2.8Å; F418-R431 PolarHBondContact O-NH2 2.97Å; F418-I434 HydrophobicContact CE1-CG2 3.84Å; F418-I434 HydrophobicContact CZ-CG2 4.09Å; F418-K435 HydrophobicContact CE1-CG 4.42Å; F418-L438 HydrophobicContact CZ-CD1 4.14Å
419	E	93.6	Very high	96.1	Very high	125 Å²	125	25.5 Å²	25.5	58%	0.584	12%	0.121	S	C	*	.	S	Bend	trans	-125.2	59.9	-170.1	-56.9	-177.2	-166.5	0	0	112.1	E415 G421	E415-E419 CarbonylContact O-C 3.56Å; E415-E419 VanDerWaalsContact O-CA 3.31Å; E415-E419 WeakPolarHBondContact O-CA 3.45Å; E415-E419 VanDerWaalsContact O-CB 3.32Å; E415-E419 WeakPolarHBondContact O-CB 3.24Å; E415-E419 PolarHBondContact O-N 2.96Å; E419-G421 PolarHBondContact O-N 3.19Å
420	N	89.8	Confident	96.2	Very high	116 Å²	116	26.6 Å²	26.6	62%	0.62	13%	0.129	S	C	*	.	S	Bend	trans	48.2	17.3	177.2	-160.6	43.9	0	0	0	116.5	R425	N420-R425 PolarHBondContact O-NH1 2.82Å
421	G	95.3	Very high	96.2	Very high	5 Å²	5	33.3 Å²	33.3	5%	0.052	15%	0.154	C	C	.	.	S	Bend	trans	-75.4	179.5	174.1	0	0	0	0	0	112.7	W416 E419 I423 S424 R425	W416-G421 CarbonylContact O-C 3.48Å; E419-G421 PolarHBondContact O-N 3.19Å; G421-I423 VanDerWaalsContact C-N 3.31Å; G421-I423 PolarHBondContact O-N 3.18Å; G421-S424 CarbonylContact O-C 3.53Å; G421-S424 WeakPolarHBondContact O-CA 3.3Å; G421-S424 WeakPolarHBondContact O-CB 3.48Å; G421-S424 PolarHBondContact O-N 3.44Å; G421-R425 WeakPolarHBondContact O-CG 3.21Å; G421-R425 PolarHBondContact O-N 2.53Å
422	W	95.6	Very high	96.3	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.015	16%	0.164	C	C	.	.	H	α-helix	trans	-58	-37.7	-168.7	79.8	-89.9	0	0	0	113.4	M367 W416 R425 N426 L599 Y652 T653	M367-W422 HydrophobicContact CE-CH2 3.65Å; M367-W422 HydrophobicContact CE-CZ2 4.22Å; W416-W422 AromaticContact CD2-CD1 3.55Å; W416-W422 AromaticContact CD2-NE1 3.3Å; W416-W422 VanDerWaalsContact CD2-NE1 3.3Å; W416-W422 AromaticContact CE2-CD1 3.89Å; W416-W422 AromaticContact CE2-NE1 3.87Å; W416-W422 AromaticContact CE3-CD1 3.86Å; W416-W422 AromaticContact CE3-NE1 3.08Å; W416-W422 AromaticContact CG-CD1 3.73Å; W416-W422 AromaticContact CG-NE1 3.87Å; W416-W422 AromaticContact CH2-NE1 3.99Å; W416-W422 AromaticContact CZ3-NE1 3.46Å; W422-R425 PolarHBondContact O-N 3.43Å; W422-N426 VanDerWaalsContact O-CB 3.32Å; W422-N426 WeakPolarHBondContact O-CB 2.94Å; W422-N426 PolarHBondContact O-N 3.34Å; W422-N426 PolarHBondContact O-ND2 2.97Å; W422-L599 HydrophobicContact CH2-CD2 4.41Å; W422-L599 HydrophobicContact CZ3-CD2 3.83Å; W422-Y652 HydrophobicContact CB-CD1 4.24Å; W422-Y652 HydrophobicContact CB-CD2 3.63Å; W422-Y652 HydrophobicContact CB-CE1 4.18Å; W422-Y652 HydrophobicContact CB-CE2 3.56Å; W422-Y652 HydrophobicContact CB-CG 3.96Å; W422-Y652 AromaticContact CD1-CD1 3.18Å; W422-Y652 AromaticContact CD1-CE1 3.48Å; W422-Y652 VanDerWaalsContact CD1-CE1 3.48Å; W422-Y652 AromaticContact CD1-CG 3.52Å; W422-Y652 HydrophobicContact CD2-CD1 4.35Å; W422-Y652 HydrophobicContact CD2-CD2 4.33Å; W422-Y652 AromaticContact CD2-CG 3.93Å; W422-Y652 HydrophobicContact CD2-CG 3.93Å; W422-Y652 AromaticContact CG-CD1 3.68Å; W422-Y652 HydrophobicContact CG-CD1 3.68Å; W422-Y652 AromaticContact CG-CD2 3.74Å; W422-Y652 HydrophobicContact CG-CD2 3.74Å; W422-Y652 HydrophobicContact CG-CE1 4.01Å; W422-Y652 HydrophobicContact CG-CE2 4.06Å; W422-Y652 AromaticContact CG-CG 3.52Å; W422-Y652 HydrophobicContact CG-CG 3.52Å; W422-Y652 AromaticContact NE1-CD1 3.58Å; W422-Y652 AromaticContact NE1-CG 3.88Å; W422-T653 HydrophobicContact CH2-CG2 4.12Å
423	I	97.4	Very high	96.5	Very high	1 Å²	1	34 Å²	34	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-50.1	175.6	-61.1	172.5	0	0	0	109.3	M367 L413 W416 T417 G421 R425 N426 I427	M367-I423 HydrophobicContact CG-CD1 4.17Å; M367-I423 HydrophobicContact CG-CG1 4.47Å; M367-I423 HydrophobicContact CG-CG2 3.81Å; M367-I423 HydrophobicContact SD-CD1 3.63Å; M367-I423 HydrophobicContact SD-CG1 4.14Å; L413-I423 HydrophobicContact CD2-CD1 4.36Å; W416-I423 HydrophobicContact CB-CB 4.3Å; W416-I423 HydrophobicContact CB-CD1 3.86Å; W416-I423 HydrophobicContact CB-CG1 4.05Å; W416-I423 HydrophobicContact CE3-CD1 4.13Å; W416-I423 WeakPolarHBondContact O-CB 3.02Å; T417-I423 HydrophobicContact CG2-CG2 4.45Å; G421-I423 VanDerWaalsContact C-N 3.31Å; G421-I423 PolarHBondContact O-N 3.18Å; I423-R425 PolarHBondContact O-N 2.95Å; I423-N426 PolarHBondContact O-N 2.89Å; I423-I427 HydrophobicContact CG2-CB 4.36Å; I423-I427 HydrophobicContact CG2-CD1 4.43Å; I423-I427 HydrophobicContact CG2-CG2 4.45Å; I423-I427 VanDerWaalsContact O-CB 3.26Å; I423-I427 WeakPolarHBondContact O-CB 3.42Å; I423-I427 WeakPolarHBondContact O-CG2 3.21Å; I423-I427 PolarHBondContact O-N 3.19Å
424	S	97.2	Very high	96.6	Very high	20 Å²	20	34 Å²	34	14%	0.14	16%	0.157	C	C	.	.	H	α-helix	trans	-59.7	-31.4	177.4	-178.2	0	0	0	0	112.2	K304 W416 T417 G421	K304-S424 WeakPolarHBondContact CE-O 3.37Å; K304-S424 PolarHBondContact NZ-O 3.15Å; W416-S424 WeakPolarHBondContact O-CB 3.37Å; W416-S424 PolarHBondContact O-N 3.25Å; T417-S424 WeakPolarHBondContact O-CB 3.48Å; G421-S424 CarbonylContact O-C 3.53Å; G421-S424 WeakPolarHBondContact O-CA 3.3Å; G421-S424 WeakPolarHBondContact O-CB 3.48Å; G421-S424 PolarHBondContact O-N 3.44Å
425	R	95.6	Very high	96.6	Very high	64 Å²	64	35.7 Å²	35.7	24%	0.242	16%	0.164	C	C	.	.	H	α-helix	trans	-78.3	-38.2	176.2	-65.5	-169.6	-59.4	-102.7	14	112.7	K304 N420 G421 W422 I423 E648	K304-R425 PolarHBondContact NZ-O 3.08Å; N420-R425 PolarHBondContact O-NH1 2.82Å; G421-R425 WeakPolarHBondContact O-CG 3.21Å; G421-R425 PolarHBondContact O-N 2.53Å; W422-R425 PolarHBondContact O-N 3.43Å; I423-R425 PolarHBondContact O-N 2.95Å; R425-E648 IonicContact CZ-OE1 3.66Å; R425-E648 IonicContact NE-OE1 3.81Å; R425-E648 PolarHBondContact NE-OE1 3.46Å; R425-E648 IonicContact NE-OE2 2.83Å; R425-E648 PolarHBondContact NE-OE2 3.32Å; R425-E648 IonicContact NH2-OE1 2.73Å; R425-E648 PolarHBondContact NH2-OE1 2.84Å; R425-E648 IonicContact NH2-OE2 3.19Å
426	N	96.9	Very high	96.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-98	-17	-171.7	-69	-75.9	0	0	0	116.2	W422 I423 L599 S600 M645 E648	W422-N426 VanDerWaalsContact O-CB 3.32Å; W422-N426 WeakPolarHBondContact O-CB 2.94Å; W422-N426 PolarHBondContact O-N 3.34Å; W422-N426 PolarHBondContact O-ND2 2.97Å; I423-N426 PolarHBondContact O-N 2.89Å; N426-L599 HydrophobicContact CB-CD2 4.14Å; N426-L599 CarbonylContact O-C 3.6Å; N426-S600 WeakPolarHBondContact O-CB 3.43Å; N426-M645 HydrophobicContact CB-CE 4.32Å; N426-M645 WeakPolarHBondContact OD1-CA 3.42Å; N426-M645 WeakPolarHBondContact OD1-CB 3.11Å; N426-M645 VanDerWaalsContact OD1-CG 3.28Å; N426-M645 WeakPolarHBondContact OD1-CG 3.44Å; N426-M645 PolarHBondContact OD1-O 2.89Å; N426-E648 PolarHBondContact ND2-OE2 2.98Å
427	I	98.2	Very high	96.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.164	C	C	.	.			trans	-78.9	143.9	-177.9	-160.4	171.1	0	0	0	113.2	K304 M367 I368 I423 L429 I434 L599	K304-I427 WeakPolarHBondContact CD-O 3.35Å; K304-I427 WeakPolarHBondContact CE-O 3.32Å; K304-I427 PolarHBondContact NZ-O 3.41Å; M367-I427 HydrophobicContact CB-CD1 4.44Å; I368-I427 HydrophobicContact CD1-CD1 3.7Å; I368-I427 HydrophobicContact CG1-CD1 3.74Å; I423-I427 HydrophobicContact CG2-CB 4.36Å; I423-I427 HydrophobicContact CG2-CD1 4.43Å; I423-I427 HydrophobicContact CG2-CG2 4.45Å; I423-I427 VanDerWaalsContact O-CB 3.26Å; I423-I427 WeakPolarHBondContact O-CB 3.42Å; I423-I427 WeakPolarHBondContact O-CG2 3.21Å; I423-I427 PolarHBondContact O-N 3.19Å; I427-L429 HydrophobicContact CD1-CD1 4.31Å; I427-L429 HydrophobicContact CG1-CB 4.46Å; I427-L429 PolarHBondContact O-N 2.97Å; I427-I434 HydrophobicContact CG2-CD1 4.15Å; I427-L599 WeakPolarHBondContact CA-O 3.47Å; I427-L599 HydrophobicContact CB-CD2 4.29Å; I427-L599 HydrophobicContact CB-CG 4.12Å; I427-L599 HydrophobicContact CD1-CD1 4.44Å; I427-L599 HydrophobicContact CG1-CD1 4.11Å; I427-L599 HydrophobicContact CG1-CG 4.11Å
428	Q	98	Very high	96.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-58.2	-36	176.9	-160.6	71.1	3.2	0	0	113.4	K304 R307 E308 L309 L360 L599 S600 L601	K304-Q428 PolarHBondContact N-O 2.74Å; R307-Q428 HydrophobicContact CB-CG 4.39Å; E308-Q428 WeakPolarHBondContact O-CG 3.43Å; E308-Q428 PolarHBondContact O-NE2 3.01Å; L309-Q428 HydrophobicContact CB-CG 4.37Å; L309-Q428 HydrophobicContact CD1-CG 4.38Å; L360-Q428 HydrophobicContact CD1-CB 4.13Å; L360-Q428 HydrophobicContact CD2-CB 4.44Å; L360-Q428 HydrophobicContact CD2-CG 4Å; Q428-L599 PolarHBondContact N-O 2.9Å; Q428-S600 PolarHBondContact OE1-OG 3.11Å; Q428-L601 PolarHBondContact NE2-O 3.24Å; Q428-L601 PolarHBondContact OE1-O 3.11Å
429	L	98.4	Very high	97	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-73.3	145.2	-171.5	-64.9	175.1	0	0	0	112	L301 L309 C364 I368 I427 I434 L437	L301-L429 HydrophobicContact CB-CD2 3.86Å; L301-L429 HydrophobicContact CD1-CD1 4.5Å; L301-L429 HydrophobicContact CD1-CD2 3.93Å; L309-L429 HydrophobicContact CD2-CD2 3.55Å; L309-L429 HydrophobicContact CD2-CG 4.46Å; C364-L429 HydrophobicContact CB-CD1 4.28Å; I368-L429 HydrophobicContact CG1-CD1 4.18Å; I427-L429 HydrophobicContact CD1-CD1 4.31Å; I427-L429 HydrophobicContact CG1-CB 4.46Å; I427-L429 PolarHBondContact O-N 2.97Å; L429-I434 HydrophobicContact CB-CG1 3.8Å; L429-I434 HydrophobicContact CD1-CG1 4.21Å; L429-L437 HydrophobicContact CD1-CD2 4Å
430	S	97.8	Very high	97.3	Very high	23 Å²	23	37.8 Å²	37.8	16%	0.161	17%	0.167	C	C	.	.			trans	-76.8	166.7	164	75.4	0	0	0	0	110.4	S302 K432 G433 I434	S302-S430 WeakPolarHBondContact CB-OG 3.4Å; S302-S430 PolarHBondContact O-N 3.42Å; S302-S430 PolarHBondContact O-OG 3.49Å; S302-S430 PolarHBondContact OG-OG 2.87Å; S430-K432 PolarHBondContact O-N 2.74Å; S430-K432 VanDerWaalsContact O-N 3.14Å; S430-K432 PolarHBondContact OG-N 2.53Å; S430-G433 WeakPolarHBondContact O-CA 3.34Å; S430-G433 PolarHBondContact O-N 2.95Å; S430-G433 PolarHBondContact OG-N 2.88Å; S430-G433 VanDerWaalsContact OG-N 3.13Å; S430-I434 WeakPolarHBondContact O-CG1 3.43Å; S430-I434 PolarHBondContact O-N 3.37Å
431	R	97	Very high	97.7	Very high	141 Å²	141	32.6 Å²	32.6	53%	0.532	14%	0.14	S	C	.	.	H	α-helix	trans	-53.3	-35.3	171.2	-66.4	180	75.9	179.4	7.2	112.2	F418 K435	F418-R431 PolarHBondContact O-NE 2.8Å; F418-R431 PolarHBondContact O-NH2 2.97Å; R431-K435 WeakPolarHBondContact O-CG 3.35Å; R431-K435 PolarHBondContact O-N 2.68Å
432	K	97.5	Very high	97.8	Very high	139 Å²	139	33.2 Å²	33.2	60%	0.604	14%	0.142	S	C	*	.	H	α-helix	trans	-66.9	-43.9	174.3	-177.7	179.7	177.8	-179.7	0	111.3	S430 K435 Q436	S430-K432 PolarHBondContact O-N 2.74Å; S430-K432 VanDerWaalsContact O-N 3.14Å; S430-K432 PolarHBondContact OG-N 2.53Å; K432-K435 PolarHBondContact O-N 2.66Å; K432-Q436 VanDerWaalsContact O-CG 3.3Å; K432-Q436 WeakPolarHBondContact O-CG 3.39Å; K432-Q436 PolarHBondContact O-N 3.04Å
433	G	98.3	Very high	97.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.9	-44.2	176.2	0	0	0	0	0	113	S302 S430 K435 Q436 L437	S302-G433 VanDerWaalsContact O-CA 3.27Å; S302-G433 WeakPolarHBondContact O-CA 3.41Å; S430-G433 WeakPolarHBondContact O-CA 3.34Å; S430-G433 PolarHBondContact O-N 2.95Å; S430-G433 PolarHBondContact OG-N 2.88Å; S430-G433 VanDerWaalsContact OG-N 3.13Å; G433-K435 PolarHBondContact O-N 2.84Å; G433-Q436 WeakPolarHBondContact O-CB 3.21Å; G433-Q436 PolarHBondContact O-N 2.92Å; G433-L437 PolarHBondContact O-N 3.03Å
434	I	98.4	Very high	97.9	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-58.7	-50.2	176.5	-64.9	169.1	0	0	0	110.6	I368 L372 T417 F418 I427 L429 S430 Q436 L437 L438	I368-I434 HydrophobicContact CD1-CD1 4.36Å; I368-I434 HydrophobicContact CD1-CG1 4.07Å; I368-I434 HydrophobicContact CD1-CG2 3.87Å; I368-I434 HydrophobicContact CG1-CG1 4.38Å; I368-I434 HydrophobicContact CG1-CG2 4.39Å; I368-I434 HydrophobicContact CG2-CG2 4.04Å; L372-I434 HydrophobicContact CD2-CG2 4.48Å; T417-I434 HydrophobicContact CG2-CD1 3.74Å; T417-I434 HydrophobicContact CG2-CG2 3.94Å; F418-I434 HydrophobicContact CE1-CG2 3.84Å; F418-I434 HydrophobicContact CZ-CG2 4.09Å; I427-I434 HydrophobicContact CG2-CD1 4.15Å; L429-I434 HydrophobicContact CB-CG1 3.8Å; L429-I434 HydrophobicContact CD1-CG1 4.21Å; S430-I434 WeakPolarHBondContact O-CG1 3.43Å; S430-I434 PolarHBondContact O-N 3.37Å; I434-Q436 VanDerWaalsContact C-N 3.31Å; I434-Q436 PolarHBondContact O-N 3.16Å; I434-L437 PolarHBondContact O-N 3.03Å; I434-L438 HydrophobicContact CG2-CD1 4.19Å; I434-L438 WeakPolarHBondContact O-CG 3.29Å; I434-L438 PolarHBondContact O-N 3.47Å
435	K	98.3	Very high	98	Very high	57 Å²	57	48.8 Å²	48.8	25%	0.248	21%	0.206	C	C	.	.	H	α-helix	trans	-62.3	-36	176.7	-69.3	-176.4	177.7	-167.6	0	112.9	S164 L167 F418 R431 K432 G433 R439	S164-K435 PolarHBondContact OG-NZ 3.35Å; L167-K435 HydrophobicContact CD1-CB 4.45Å; L167-K435 HydrophobicContact CD1-CD 4.49Å; L167-K435 HydrophobicContact CD1-CG 4.15Å; L167-K435 WeakPolarHBondContact CD2-O 3.48Å; F418-K435 HydrophobicContact CE1-CG 4.42Å; R431-K435 WeakPolarHBondContact O-CG 3.35Å; R431-K435 PolarHBondContact O-N 2.68Å; K432-K435 PolarHBondContact O-N 2.66Å; G433-K435 PolarHBondContact O-N 2.84Å; K435-R439 WeakPolarHBondContact O-CB 3.27Å; K435-R439 PolarHBondContact O-N 2.65Å; K435-R439 VanDerWaalsContact O-N 3.12Å
436	Q	98.5	Very high	98.1	Very high	43 Å²	43	50.7 Å²	50.7	20%	0.201	21%	0.213	C	C	.	.	H	α-helix	trans	-64.4	-44.7	175.3	-75.4	171.4	-40.7	0	0	111.2	L301 K432 G433 I434 R440	L301-Q436 HydrophobicContact CD2-CB 3.46Å; L301-Q436 VanDerWaalsContact CD2-CB 3.46Å; K432-Q436 VanDerWaalsContact O-CG 3.3Å; K432-Q436 WeakPolarHBondContact O-CG 3.39Å; K432-Q436 PolarHBondContact O-N 3.04Å; G433-Q436 WeakPolarHBondContact O-CB 3.21Å; G433-Q436 PolarHBondContact O-N 2.92Å; I434-Q436 VanDerWaalsContact C-N 3.31Å; I434-Q436 PolarHBondContact O-N 3.16Å; Q436-R440 VanDerWaalsContact O-CG 3.25Å; Q436-R440 WeakPolarHBondContact O-CG 3.28Å; Q436-R440 PolarHBondContact O-N 3.28Å; Q436-R440 VanDerWaalsContact O-N 3.11Å
437	L	98.6	Very high	98.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.6	-47.8	179.4	-178.2	51.4	0	0	0	111.5	I297 L301 I368 V369 L429 G433 I434 R439 R440 A441	I297-L437 HydrophobicContact CD1-CD1 4.08Å; I297-L437 HydrophobicContact CG1-CD1 3.92Å; I297-L437 HydrophobicContact CG2-CD1 4.09Å; L301-L437 HydrophobicContact CD1-CB 3.88Å; L301-L437 HydrophobicContact CD1-CD1 4.24Å; L301-L437 HydrophobicContact CD1-CD2 4.11Å; L301-L437 HydrophobicContact CD1-CG 4.3Å; L301-L437 HydrophobicContact CD2-CB 4.19Å; I368-L437 HydrophobicContact CB-CD2 3.86Å; I368-L437 HydrophobicContact CB-CG 4.42Å; I368-L437 HydrophobicContact CG1-CD2 4.38Å; I368-L437 HydrophobicContact CG2-CB 4.19Å; I368-L437 HydrophobicContact CG2-CD2 3.97Å; I368-L437 HydrophobicContact CG2-CG 4.03Å; V369-L437 HydrophobicContact CG2-CD1 3.7Å; V369-L437 HydrophobicContact CG2-CD2 4.04Å; V369-L437 HydrophobicContact CG2-CG 3.65Å; L429-L437 HydrophobicContact CD1-CD2 4Å; G433-L437 PolarHBondContact O-N 3.03Å; I434-L437 PolarHBondContact O-N 3.03Å; L437-R439 PolarHBondContact O-N 2.94Å; L437-R440 PolarHBondContact O-N 3.32Å; L437-A441 WeakPolarHBondContact O-CB 3.38Å; L437-A441 PolarHBondContact O-N 3.31Å
438	L	98.6	Very high	98.2	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-54.5	-49.5	175.2	-74.7	173.8	0	0	0	111.8	L167 I368 L372 L373 F418 I434 R440 A441 F442	L167-L438 HydrophobicContact CD2-CB 3.55Å; L167-L438 HydrophobicContact CD2-CD1 4.45Å; I368-L438 HydrophobicContact CG2-CD2 3.76Å; I368-L438 HydrophobicContact CG2-CG 3.71Å; I368-L438 WeakPolarHBondContact O-CD2 3.12Å; L372-L438 HydrophobicContact CD2-CD1 3.96Å; L372-L438 HydrophobicContact CD2-CD2 4.38Å; L372-L438 HydrophobicContact CG-CD2 4.34Å; L373-L438 HydrophobicContact CB-CD2 3.78Å; L373-L438 HydrophobicContact CD1-CD2 4.38Å; F418-L438 HydrophobicContact CZ-CD1 4.14Å; I434-L438 HydrophobicContact CG2-CD1 4.19Å; I434-L438 WeakPolarHBondContact O-CG 3.29Å; I434-L438 PolarHBondContact O-N 3.47Å; L438-R440 VanDerWaalsContact C-N 3.34Å; L438-R440 PolarHBondContact O-N 2.89Å; L438-A441 PolarHBondContact O-N 3.23Å; L438-F442 VanDerWaalsContact O-CB 3.28Å; L438-F442 WeakPolarHBondContact O-CB 3.1Å; L438-F442 PolarHBondContact O-N 2.83Å
439	R	98.4	Very high	98.2	Very high	95 Å²	95	55.5 Å²	55.5	36%	0.358	24%	0.24	S	C	.	.	H	α-helix	trans	-59.1	-44	179.2	-176.7	-176.9	-62	109.2	0.4	112.3	K165 L167 K435 L437 K443	K165-R439 PolarHBondContact O-NE 3Å; K165-R439 PolarHBondContact O-NH2 3.47Å; K165-R439 VanDerWaalsContact O-NH2 3.14Å; L167-R439 HydrophobicContact CD2-CB 4Å; K435-R439 WeakPolarHBondContact O-CB 3.27Å; K435-R439 PolarHBondContact O-N 2.65Å; K435-R439 VanDerWaalsContact O-N 3.12Å; L437-R439 PolarHBondContact O-N 2.94Å; R439-K443 VanDerWaalsContact O-CB 3.31Å; R439-K443 WeakPolarHBondContact O-CB 3.29Å; R439-K443 PolarHBondContact O-N 3.23Å; R439-K443 VanDerWaalsContact O-N 3.13Å
440	R	98.5	Very high	98.2	Very high	82 Å²	82	58.1 Å²	58.1	31%	0.309	25%	0.254	S	S	.	.	H	α-helix	trans	-66.9	-41.2	-179.8	-71	170.2	-175.1	-174.7	0.3	111.5	I297 Q299 Q436 L437 L438	I297-R440 HydrophobicContact CD1-CB 4.17Å; I297-R440 HydrophobicContact CG1-CB 3.91Å; I297-R440 WeakPolarHBondContact O-CD 3.22Å; I297-R440 PolarHBondContact O-NH1 3.28Å; Q299-R440 PolarHBondContact O-NH1 2.63Å; Q299-R440 PolarHBondContact O-NH2 3.16Å; Q436-R440 VanDerWaalsContact O-CG 3.25Å; Q436-R440 WeakPolarHBondContact O-CG 3.28Å; Q436-R440 PolarHBondContact O-N 3.28Å; Q436-R440 VanDerWaalsContact O-N 3.11Å; L437-R440 PolarHBondContact O-N 3.32Å; L438-R440 VanDerWaalsContact C-N 3.34Å; L438-R440 PolarHBondContact O-N 2.89Å
441	A	98.6	Very high	98.2	Very high	7 Å²	7	57.1 Å²	57.1	6%	0.058	25%	0.247	C	C	.	.	H	α-helix	trans	-70.3	-49	-179.7	0	0	0	0	0	111.2	I297 V369 L373 L437 L438 K443 K444 W445	I297-A441 HydrophobicContact CD1-CB 4Å; V369-A441 HydrophobicContact CB-CB 4.3Å; V369-A441 HydrophobicContact CG1-CB 3.72Å; V369-A441 HydrophobicContact CG2-CB 3.71Å; L373-A441 HydrophobicContact CD2-CB 3.66Å; L437-A441 WeakPolarHBondContact O-CB 3.38Å; L437-A441 PolarHBondContact O-N 3.31Å; L438-A441 PolarHBondContact O-N 3.23Å; A441-K443 VanDerWaalsContact C-N 3.31Å; A441-K443 PolarHBondContact O-N 2.95Å; A441-K444 CarbonylContact O-C 3.6Å; A441-K444 PolarHBondContact O-N 3.08Å; A441-W445 PolarHBondContact O-N 3.21Å
442	F	98.4	Very high	98.3	Very high	18 Å²	18	51.8 Å²	51.8	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-58.6	-42.4	178.2	-173.6	-122.7	0	0	0	112.2	P168 L373 I377 L438 K444 W445 M520 L527	P168-F442 HydrophobicContact CB-CD2 4.41Å; P168-F442 HydrophobicContact CB-CE2 4.23Å; P168-F442 HydrophobicContact CB-CZ 4.3Å; P168-F442 HydrophobicContact CG-CB 4.26Å; P168-F442 HydrophobicContact CG-CD1 4.18Å; P168-F442 HydrophobicContact CG-CD2 3.76Å; P168-F442 HydrophobicContact CG-CE1 4.48Å; P168-F442 HydrophobicContact CG-CE2 4.07Å; P168-F442 HydrophobicContact CG-CG 3.8Å; P168-F442 HydrophobicContact CG-CZ 4.42Å; L373-F442 HydrophobicContact CD1-CB 3.95Å; L373-F442 HydrophobicContact CD1-CD2 3.96Å; L373-F442 HydrophobicContact CD1-CG 4.31Å; I377-F442 HydrophobicContact CD1-CD2 4.27Å; I377-F442 HydrophobicContact CD1-CE2 4.35Å; I377-F442 HydrophobicContact CG1-CD2 4.48Å; I377-F442 HydrophobicContact CG1-CE2 4.25Å; L438-F442 VanDerWaalsContact O-CB 3.28Å; L438-F442 WeakPolarHBondContact O-CB 3.1Å; L438-F442 PolarHBondContact O-N 2.83Å; F442-K444 PolarHBondContact O-N 2.9Å; F442-K444 VanDerWaalsContact O-N 3.15Å; F442-W445 WeakPolarHBondContact O-CB 3.3Å; F442-W445 PolarHBondContact O-N 2.97Å; F442-W445 VanDerWaalsContact O-N 3.07Å; F442-M520 HydrophobicContact CE1-CE 3.88Å; F442-M520 HydrophobicContact CE1-SD 3.91Å; F442-M520 HydrophobicContact CZ-SD 4.49Å; F442-L527 HydrophobicContact CE2-CD2 3.62Å; F442-L527 HydrophobicContact CZ-CD2 3.97Å
443	K	98	Very high	98.3	Very high	186 Å²	186	45.1 Å²	45.1	81%	0.809	20%	0.2	S	C	*	.	H	α-helix	trans	-57.9	-29.5	175.1	-177.3	175.2	-179.7	179.6	0	113.7	R439 A441	R439-K443 VanDerWaalsContact O-CB 3.31Å; R439-K443 WeakPolarHBondContact O-CB 3.29Å; R439-K443 PolarHBondContact O-N 3.23Å; R439-K443 VanDerWaalsContact O-N 3.13Å; A441-K443 VanDerWaalsContact C-N 3.31Å; A441-K443 PolarHBondContact O-N 2.95Å
444	K	97.5	Very high	98.2	Very high	143 Å²	143	47.9 Å²	47.9	62%	0.622	21%	0.211	S	C	*	.	H	α-helix	trans	-92.7	-16.2	179.1	-70.7	-176.3	175.2	-171.2	0	113.1	A441 F442	A441-K444 CarbonylContact O-C 3.6Å; A441-K444 PolarHBondContact O-N 3.08Å; F442-K444 PolarHBondContact O-N 2.9Å; F442-K444 VanDerWaalsContact O-N 3.15Å
445	W	98.3	Very high	98.2	Very high	22 Å²	22	54 Å²	54	8%	0.083	23%	0.234	C	C	.	.			trans	-71.9	138.8	-173.8	-168.5	97.8	0	0	0	110.4	I377 A441 F442 F447 N450 A451 L527 V528 L574	I377-W445 HydrophobicContact CD1-CD2 3.73Å; I377-W445 HydrophobicContact CD1-CE3 4.18Å; I377-W445 HydrophobicContact CD1-CG 4.05Å; I377-W445 HydrophobicContact CD1-CH2 4.48Å; I377-W445 HydrophobicContact CD1-CZ2 4.07Å; I377-W445 HydrophobicContact CG2-CH2 4.22Å; I377-W445 HydrophobicContact CG2-CZ2 4.35Å; A441-W445 PolarHBondContact O-N 3.21Å; F442-W445 WeakPolarHBondContact O-CB 3.3Å; F442-W445 PolarHBondContact O-N 2.97Å; F442-W445 VanDerWaalsContact O-N 3.07Å; W445-F447 HydrophobicContact CH2-CB 3.96Å; W445-F447 AromaticContact CH2-CD2 3.83Å; W445-F447 HydrophobicContact CH2-CD2 3.83Å; W445-F447 HydrophobicContact CH2-CG 4.23Å; W445-F447 HydrophobicContact CZ3-CB 3.82Å; W445-F447 HydrophobicContact CZ3-CD2 4.28Å; W445-F447 VanDerWaalsContact CZ3-N 3.29Å; W445-N450 WeakPolarHBondContact CA-OD1 3.27Å; W445-N450 HydrophobicContact CD2-CB 4.23Å; W445-N450 HydrophobicContact CG-CB 4.34Å; W445-N450 HydrophobicContact CZ2-CB 4.01Å; W445-N450 VanDerWaalsContact NE1-CB 3.33Å; W445-A451 HydrophobicContact CH2-CB 4.46Å; W445-A451 HydrophobicContact CZ2-CB 4.47Å; W445-L527 HydrophobicContact CE3-CD2 4.3Å; W445-L527 HydrophobicContact CH2-CD1 4.42Å; W445-L527 HydrophobicContact CZ3-CB 4.36Å; W445-L527 HydrophobicContact CZ3-CD1 4.12Å; W445-L527 HydrophobicContact CZ3-CD2 4.02Å; W445-L527 HydrophobicContact CZ3-CG 4.4Å; W445-V528 WeakPolarHBondContact O-CG2 3.36Å; W445-L574 HydrophobicContact CH2-CD1 4.34Å; W445-L574 HydrophobicContact CZ2-CD1 3.91Å
446	R	98.4	Very high	98.2	Very high	104 Å²	104	51.6 Å²	51.6	39%	0.392	22%	0.224	S	C	.	.			trans	-137.1	139.4	175.7	-55.2	178.8	50.9	94.4	-4.5	111	D448 V449 N450 V528	R446-D448 VanDerWaalsContact CB-OD1 3.27Å; R446-D448 WeakPolarHBondContact CB-OD1 3.33Å; R446-D448 IonicContact CZ-OD1 3.37Å; R446-D448 IonicContact CZ-OD2 3.46Å; R446-D448 IonicContact NE-OD1 3.78Å; R446-D448 PolarHBondContact NE-OD1 3.4Å; R446-D448 IonicContact NE-OD2 3.52Å; R446-D448 VanDerWaalsContact NH2-CG 3.34Å; R446-D448 IonicContact NH2-OD1 2.75Å; R446-D448 PolarHBondContact NH2-OD1 2.98Å; R446-D448 VanDerWaalsContact NH2-OD1 3.16Å; R446-D448 IonicContact NH2-OD2 3.85Å; R446-D448 PolarHBondContact NH2-OD2 2.92Å; R446-V449 HydrophobicContact CB-CB 4.24Å; R446-V449 HydrophobicContact CB-CG2 4.18Å; R446-V449 PolarHBondContact O-N 2.74Å; R446-N450 PolarHBondContact N-OD1 3.34Å; R446-N450 WeakPolarHBondContact O-CB 3.44Å; R446-N450 PolarHBondContact O-N 2.92Å; R446-N450 PolarHBondContact O-OD1 3.22Å; R446-V528 HydrophobicContact CB-CG2 4.14Å; R446-V528 HydrophobicContact CG-CG2 3.76Å
447	F	98.7	Very high	98.2	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-47.5	179.8	-166.4	-77.4	0	0	0	111.5	I381 W445 V449 A451 L527 V528 V530 P531 F567 I571	I381-F447 HydrophobicContact CD1-CE2 4.34Å; W445-F447 HydrophobicContact CH2-CB 3.96Å; W445-F447 AromaticContact CH2-CD2 3.83Å; W445-F447 HydrophobicContact CH2-CD2 3.83Å; W445-F447 HydrophobicContact CH2-CG 4.23Å; W445-F447 HydrophobicContact CZ3-CB 3.82Å; W445-F447 HydrophobicContact CZ3-CD2 4.28Å; W445-F447 VanDerWaalsContact CZ3-N 3.29Å; F447-V449 PolarHBondContact O-N 3.12Å; F447-A451 HydrophobicContact CD1-CB 4.04Å; F447-A451 HydrophobicContact CD2-CB 4.21Å; F447-A451 HydrophobicContact CE1-CB 4.08Å; F447-A451 HydrophobicContact CE2-CB 4.24Å; F447-A451 HydrophobicContact CG-CB 4.1Å; F447-A451 HydrophobicContact CZ-CB 4.18Å; F447-A451 WeakPolarHBondContact O-CA 3.28Å; F447-A451 WeakPolarHBondContact O-CB 3.35Å; F447-A451 PolarHBondContact O-N 2.89Å; F447-L527 HydrophobicContact CD2-CD1 4.32Å; F447-V528 WeakPolarHBondContact CB-O 3.4Å; F447-V528 PolarHBondContact N-O 2.81Å; F447-V530 HydrophobicContact CB-CG2 4.2Å; F447-V530 HydrophobicContact CD2-CG2 4.44Å; F447-V530 HydrophobicContact CG-CG2 4.32Å; F447-P531 HydrophobicContact CD1-CG 4.46Å; F447-P531 HydrophobicContact CE1-CG 4.33Å; F447-F567 HydrophobicContact CE1-CD2 4.31Å; F447-F567 HydrophobicContact CZ-CD2 4.02Å; F447-F567 HydrophobicContact CZ-CE2 4.38Å; F447-F567 WeakPolarHBondContact CZ-O 3.46Å; F447-I571 HydrophobicContact CE2-CG1 4.31Å; F447-I571 HydrophobicContact CZ-CG1 4.14Å
448	D	97.8	Very high	98.1	Very high	64 Å²	64	53.2 Å²	53.2	34%	0.342	23%	0.231	S	C	.	.	H	α-helix	trans	-65.6	-8.8	178.8	62	-18.3	0	0	0	115.1	R446 R455 G529	R446-D448 VanDerWaalsContact CB-OD1 3.27Å; R446-D448 WeakPolarHBondContact CB-OD1 3.33Å; R446-D448 IonicContact CZ-OD1 3.37Å; R446-D448 IonicContact CZ-OD2 3.46Å; R446-D448 IonicContact NE-OD1 3.78Å; R446-D448 PolarHBondContact NE-OD1 3.4Å; R446-D448 IonicContact NE-OD2 3.52Å; R446-D448 VanDerWaalsContact NH2-CG 3.34Å; R446-D448 IonicContact NH2-OD1 2.75Å; R446-D448 PolarHBondContact NH2-OD1 2.98Å; R446-D448 VanDerWaalsContact NH2-OD1 3.16Å; R446-D448 IonicContact NH2-OD2 3.85Å; R446-D448 PolarHBondContact NH2-OD2 2.92Å; D448-R455 VanDerWaalsContact O-CB 3.29Å; D448-R455 WeakPolarHBondContact O-CB 3.36Å; D448-R455 WeakPolarHBondContact O-CG 3.36Å; D448-G529 VanDerWaalsContact CB-O 3.32Å; D448-G529 WeakPolarHBondContact CB-O 3.32Å; D448-G529 PolarHBondContact N-O 2.97Å
449	V	98.4	Very high	98.1	Very high	34 Å²	34	56.4 Å²	56.4	21%	0.206	25%	0.254	C	S	.	.	H	α-helix	trans	-112.7	-58.5	177	-177.8	0	0	0	0	110.8	R446 F447 E456	R446-V449 HydrophobicContact CB-CB 4.24Å; R446-V449 HydrophobicContact CB-CG2 4.18Å; R446-V449 PolarHBondContact O-N 2.74Å; F447-V449 PolarHBondContact O-N 3.12Å; V449-E456 WeakPolarHBondContact O-CA 3.42Å; V449-E456 VanDerWaalsContact O-CB 3.26Å; V449-E456 WeakPolarHBondContact O-CB 3.38Å; V449-E456 PolarHBondContact O-N 3.25Å
450	N	98.5	Very high	98	Very high	56 Å²	56	52.9 Å²	52.9	30%	0.299	24%	0.241	S	C	.	.	H	α-helix	trans	-80	-21.3	-171.9	-62.2	106	0	0	0	113.5	W445 R446 N452 Y573	W445-N450 WeakPolarHBondContact CA-OD1 3.27Å; W445-N450 HydrophobicContact CD2-CB 4.23Å; W445-N450 HydrophobicContact CG-CB 4.34Å; W445-N450 HydrophobicContact CZ2-CB 4.01Å; W445-N450 VanDerWaalsContact NE1-CB 3.33Å; R446-N450 PolarHBondContact N-OD1 3.34Å; R446-N450 WeakPolarHBondContact O-CB 3.44Å; R446-N450 PolarHBondContact O-N 2.92Å; R446-N450 PolarHBondContact O-OD1 3.22Å; N450-N452 VanDerWaalsContact C-N 3.34Å; N450-Y573 WeakPolarHBondContact O-CE1 3.45Å
451	A	98.4	Very high	97.9	Very high	2 Å²	2	49.9 Å²	49.9	2%	0.017	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	27.8	175.6	0	0	0	0	0	111.4	W445 F447 G570 L574	W445-A451 HydrophobicContact CH2-CB 4.46Å; W445-A451 HydrophobicContact CZ2-CB 4.47Å; F447-A451 HydrophobicContact CD1-CB 4.04Å; F447-A451 HydrophobicContact CD2-CB 4.21Å; F447-A451 HydrophobicContact CE1-CB 4.08Å; F447-A451 HydrophobicContact CE2-CB 4.24Å; F447-A451 HydrophobicContact CG-CB 4.1Å; F447-A451 HydrophobicContact CZ-CB 4.18Å; F447-A451 WeakPolarHBondContact O-CA 3.28Å; F447-A451 WeakPolarHBondContact O-CB 3.35Å; F447-A451 PolarHBondContact O-N 2.89Å; A451-G570 WeakPolarHBondContact O-CA 3.35Å; A451-L574 HydrophobicContact CB-CD1 3.67Å; A451-L574 HydrophobicContact CB-CD2 4.42Å; A451-L574 HydrophobicContact CB-CG 3.92Å
452	N	97.7	Very high	97.8	Very high	28 Å²	28	49.6 Å²	49.6	15%	0.15	23%	0.232	C	C	.	.			trans	-150.5	118.9	177.5	-178	-63.2	0	0	0	110.2	N450 Y454 R455 E456 Y481	N450-N452 VanDerWaalsContact C-N 3.34Å; N452-Y454 VanDerWaalsContact C-N 3.33Å; N452-Y454 PolarHBondContact O-N 3.11Å; N452-Y454 WeakPolarHBondContact OD1-CB 3.39Å; N452-Y454 PolarHBondContact OD1-N 3.28Å; N452-R455 HydrophobicContact CB-CB 4.08Å; N452-R455 HydrophobicContact CB-CG 4.07Å; N452-R455 PolarHBondContact O-N 3.38Å; N452-R455 VanDerWaalsContact O-N 3.16Å; N452-R455 PolarHBondContact OD1-N 3.2Å; N452-R455 VanDerWaalsContact OD1-N 3.09Å; N452-E456 WeakPolarHBondContact O-CB 3.34Å; N452-E456 PolarHBondContact O-N 2.84Å; N452-Y481 PolarHBondContact ND2-OH 3.11Å
453	I	97.5	Very high	97.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.4	-45.6	-174.4	-173.8	167	0	0	0	113.3	R455 E456 L457 A477 M478 Y481 Y573	I453-R455 PolarHBondContact O-N 2.82Å; I453-E456 WeakPolarHBondContact CA-OE2 3.42Å; I453-E456 PolarHBondContact O-N 3.5Å; I453-L457 HydrophobicContact CD1-CD1 4.36Å; I453-L457 HydrophobicContact CG1-CD1 3.65Å; I453-L457 HydrophobicContact CG1-CG 4.24Å; I453-L457 WeakPolarHBondContact O-CB 3.37Å; I453-L457 WeakPolarHBondContact O-CD1 3.22Å; I453-L457 WeakPolarHBondContact O-CG 3.38Å; I453-L457 PolarHBondContact O-N 3.05Å; I453-A477 HydrophobicContact CD1-CB 3.32Å; I453-M478 HydrophobicContact CD1-CB 4.44Å; I453-M478 HydrophobicContact CD1-CG 3.66Å; I453-M478 HydrophobicContact CG1-CG 4.28Å; I453-Y481 HydrophobicContact CB-CD2 4.23Å; I453-Y481 HydrophobicContact CG2-CD1 4.02Å; I453-Y481 HydrophobicContact CG2-CD2 3.5Å; I453-Y481 VanDerWaalsContact CG2-CD2 3.5Å; I453-Y481 HydrophobicContact CG2-CE1 4.4Å; I453-Y481 HydrophobicContact CG2-CE2 3.91Å; I453-Y481 HydrophobicContact CG2-CG 3.55Å; I453-Y573 HydrophobicContact CB-CD2 4.25Å; I453-Y573 HydrophobicContact CB-CE2 3.72Å; I453-Y573 HydrophobicContact CD1-CE2 4.44Å; I453-Y573 HydrophobicContact CG1-CE2 4.3Å
454	Y	97.6	Very high	97.4	Very high	58 Å²	58	45.8 Å²	45.8	23%	0.227	22%	0.219	C	C	.	.	H	α-helix	trans	-61.9	-46.8	-179.2	-57.5	-83.7	0	0	0	110.8	N452 L457 E458 F463 M478 Y481	N452-Y454 VanDerWaalsContact C-N 3.33Å; N452-Y454 PolarHBondContact O-N 3.11Å; N452-Y454 WeakPolarHBondContact OD1-CB 3.39Å; N452-Y454 PolarHBondContact OD1-N 3.28Å; Y454-L457 PolarHBondContact O-N 3.24Å; Y454-E458 VanDerWaalsContact O-CB 3.28Å; Y454-E458 WeakPolarHBondContact O-CB 3.34Å; Y454-E458 WeakPolarHBondContact O-CG 3.44Å; Y454-E458 PolarHBondContact O-N 3.44Å; Y454-F463 HydrophobicContact CD1-CD2 4.44Å; Y454-F463 AromaticContact CD1-CE2 3.49Å; Y454-F463 HydrophobicContact CD1-CE2 3.49Å; Y454-F463 VanDerWaalsContact CD1-CE2 3.49Å; Y454-F463 AromaticContact CD1-CZ 3.88Å; Y454-F463 HydrophobicContact CD1-CZ 3.88Å; Y454-F463 HydrophobicContact CE1-CE2 4.12Å; Y454-F463 HydrophobicContact CE1-CZ 4.42Å; Y454-M478 HydrophobicContact CD1-CE 4.4Å; Y454-M478 HydrophobicContact CE1-CE 3.68Å; Y454-Y481 HydrophobicContact CD2-CE1 4.16Å; Y454-Y481 AromaticContact CE2-CD1 3.62Å; Y454-Y481 HydrophobicContact CE2-CD1 3.62Å; Y454-Y481 AromaticContact CE2-CE1 3.52Å; Y454-Y481 HydrophobicContact CE2-CE1 3.52Å; Y454-Y481 HydrophobicContact CE2-CG 4.49Å
455	R	98.1	Very high	96.8	Very high	130 Å²	130	42.6 Å²	42.6	49%	0.491	21%	0.212	S	C	.	.	H	α-helix	trans	-71.2	-37.5	-177.6	-58.8	-54.3	-170.8	-170	-1.1	112.5	D448 N452 I453 E458 S459	D448-R455 VanDerWaalsContact O-CB 3.29Å; D448-R455 WeakPolarHBondContact O-CB 3.36Å; D448-R455 WeakPolarHBondContact O-CG 3.36Å; N452-R455 HydrophobicContact CB-CB 4.08Å; N452-R455 HydrophobicContact CB-CG 4.07Å; N452-R455 PolarHBondContact O-N 3.38Å; N452-R455 VanDerWaalsContact O-N 3.16Å; N452-R455 PolarHBondContact OD1-N 3.2Å; N452-R455 VanDerWaalsContact OD1-N 3.09Å; I453-R455 PolarHBondContact O-N 2.82Å; R455-E458 VanDerWaalsContact CD-OE2 3.27Å; R455-E458 WeakPolarHBondContact CD-OE2 3.44Å; R455-E458 IonicContact CZ-OE2 2.74Å; R455-E458 IonicContact NE-OE2 3.2Å; R455-E458 IonicContact NH1-OE1 2.98Å; R455-E458 IonicContact NH1-OE2 3.44Å; R455-E458 PolarHBondContact NH1-OE2 2.81Å; R455-E458 PolarHBondContact O-N 3.44Å; R455-S459 VanDerWaalsContact O-CB 3.25Å; R455-S459 WeakPolarHBondContact O-CB 3.38Å; R455-S459 PolarHBondContact O-N 3.01Å; R455-S459 PolarHBondContact O-OG 2.86Å
456	E	97.9	Very high	96.3	Very high	7 Å²	7	48.2 Å²	48.2	3%	0.033	24%	0.244	C	C	.	.	H	α-helix	trans	-64.2	-44.4	176	142.5	-84.5	134.2	0	0	110.9	V449 N452 I453 S459 R460 Y573	V449-E456 WeakPolarHBondContact O-CA 3.42Å; V449-E456 VanDerWaalsContact O-CB 3.26Å; V449-E456 WeakPolarHBondContact O-CB 3.38Å; V449-E456 PolarHBondContact O-N 3.25Å; N452-E456 WeakPolarHBondContact O-CB 3.34Å; N452-E456 PolarHBondContact O-N 2.84Å; I453-E456 WeakPolarHBondContact CA-OE2 3.42Å; I453-E456 PolarHBondContact O-N 3.5Å; E456-S459 PolarHBondContact O-OG 2.93Å; E456-R460 PolarHBondContact O-N 3.47Å; E456-R460 IonicContact OE1-CZ 3.64Å; E456-R460 IonicContact OE1-NE 2.74Å; E456-R460 IonicContact OE1-NH2 3.64Å; E456-R460 PolarHBondContact OE1-NH2 3.18Å; E456-Y573 PolarHBondContact OE2-OH 2.89Å
457	L	98	Very high	95.5	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-67.6	-42.6	176	-66.5	165.6	0	0	0	112.4	I453 Y454 R460 G461 V462 F463 R474 M478	I453-L457 HydrophobicContact CD1-CD1 4.36Å; I453-L457 HydrophobicContact CG1-CD1 3.65Å; I453-L457 HydrophobicContact CG1-CG 4.24Å; I453-L457 WeakPolarHBondContact O-CB 3.37Å; I453-L457 WeakPolarHBondContact O-CD1 3.22Å; I453-L457 WeakPolarHBondContact O-CG 3.38Å; I453-L457 PolarHBondContact O-N 3.05Å; Y454-L457 PolarHBondContact O-N 3.24Å; L457-R460 PolarHBondContact O-N 2.98Å; L457-G461 PolarHBondContact O-N 3.33Å; L457-V462 HydrophobicContact CB-CG2 4.26Å; L457-V462 HydrophobicContact CD2-CG2 3.71Å; L457-V462 PolarHBondContact O-N 3.49Å; L457-F463 HydrophobicContact CB-CB 3.79Å; L457-F463 HydrophobicContact CB-CD2 4.07Å; L457-F463 HydrophobicContact CB-CG 4.43Å; L457-F463 HydrophobicContact CD1-CD2 3.93Å; L457-F463 PolarHBondContact O-N 3.35Å; L457-R474 HydrophobicContact CD1-CB 4.35Å; L457-R474 HydrophobicContact CD1-CG 3.63Å; L457-R474 HydrophobicContact CD2-CB 4.01Å; L457-R474 HydrophobicContact CD2-CG 4.04Å; L457-M478 HydrophobicContact CD1-SD 4.31Å
458	E	97.5	Very high	95	Very high	76 Å²	76	43.8 Å²	43.8	36%	0.355	23%	0.23	S	C	.	.	H	α-helix	trans	-61.8	-43.5	177.3	-80.3	174.5	171.6	0	0	111.4	Y454 R455 R460 G461 F463	Y454-E458 VanDerWaalsContact O-CB 3.28Å; Y454-E458 WeakPolarHBondContact O-CB 3.34Å; Y454-E458 WeakPolarHBondContact O-CG 3.44Å; Y454-E458 PolarHBondContact O-N 3.44Å; R455-E458 VanDerWaalsContact CD-OE2 3.27Å; R455-E458 WeakPolarHBondContact CD-OE2 3.44Å; R455-E458 IonicContact CZ-OE2 2.74Å; R455-E458 IonicContact NE-OE2 3.2Å; R455-E458 IonicContact NH1-OE1 2.98Å; R455-E458 IonicContact NH1-OE2 3.44Å; R455-E458 PolarHBondContact NH1-OE2 2.81Å; R455-E458 PolarHBondContact O-N 3.44Å; E458-R460 PolarHBondContact O-N 3.06Å; E458-G461 PolarHBondContact O-N 3.21Å; E458-F463 HydrophobicContact CG-CB 4.03Å; E458-F463 HydrophobicContact CG-CD1 4.22Å; E458-F463 HydrophobicContact CG-CG 4.09Å
459	S	97.2	Very high	94.2	Very high	69 Å²	69	41.1 Å²	41.1	48%	0.483	22%	0.217	S	C	.	.	H	α-helix	trans	-59.6	-32.5	-179.3	76.3	0	0	0	0	112.3	R455 E456	R455-S459 VanDerWaalsContact O-CB 3.25Å; R455-S459 WeakPolarHBondContact O-CB 3.38Å; R455-S459 PolarHBondContact O-N 3.01Å; R455-S459 PolarHBondContact O-OG 2.86Å; E456-S459 PolarHBondContact O-OG 2.93Å
460	R	96.8	Very high	93.5	Very high	21 Å²	21	40.3 Å²	40.3	8%	0.079	21%	0.212	C	C	.	.	H	α-helix	trans	-91.7	-8	176.2	-63.4	-175.8	-60.2	129.8	-12.4	113.3	P252 F253 I255 Q256 I257 E456 L457 E458 V462 Y471	P252-R460 PolarHBondContact O-NH1 3.18Å; P252-R460 PolarHBondContact O-NH2 3.13Å; F253-R460 WeakPolarHBondContact O-CD 2.96Å; I255-R460 PolarHBondContact O-NH1 3.33Å; Q256-R460 CarbonylContact C-O 3.5Å; Q256-R460 VanDerWaalsContact CA-O 3.28Å; Q256-R460 WeakPolarHBondContact CA-O 3.15Å; Q256-R460 HydrophobicContact CB-CB 3.94Å; Q256-R460 HydrophobicContact CB-CG 4.38Å; Q256-R460 WeakPolarHBondContact CB-O 3.23Å; I257-R460 PolarHBondContact N-O 3.29Å; E456-R460 PolarHBondContact O-N 3.47Å; E456-R460 IonicContact OE1-CZ 3.64Å; E456-R460 IonicContact OE1-NE 2.74Å; E456-R460 IonicContact OE1-NH2 3.64Å; E456-R460 PolarHBondContact OE1-NH2 3.18Å; L457-R460 PolarHBondContact O-N 2.98Å; E458-R460 PolarHBondContact O-N 3.06Å; R460-V462 VanDerWaalsContact C-N 3.33Å; R460-V462 HydrophobicContact CB-CG1 4.5Å; R460-V462 HydrophobicContact CB-CG2 3.96Å; R460-Y471 PolarHBondContact NH1-OH 3.47Å; R460-Y471 PolarHBondContact NH2-OH 2.9Å
461	G	96.3	Very high	93.4	Very high	18 Å²	18	37.7 Å²	37.7	19%	0.186	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	31.1	-177	0	0	0	0	0	114.2	L457 E458	L457-G461 PolarHBondContact O-N 3.33Å; E458-G461 PolarHBondContact O-N 3.21Å
462	V	96.7	Very high	93.2	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	20%	0.197	C	C	.	.			trans	-114	8.7	178.7	-62.2	0	0	0	0	112.5	Y291 L457 R460 L468 Y471 R474	Y291-V462 HydrophobicContact CD1-CG1 4.24Å; Y291-V462 HydrophobicContact CE1-CG1 3.94Å; L457-V462 HydrophobicContact CB-CG2 4.26Å; L457-V462 HydrophobicContact CD2-CG2 3.71Å; L457-V462 PolarHBondContact O-N 3.49Å; R460-V462 VanDerWaalsContact C-N 3.33Å; R460-V462 HydrophobicContact CB-CG1 4.5Å; R460-V462 HydrophobicContact CB-CG2 3.96Å; V462-L468 HydrophobicContact CG1-CD2 4.33Å; V462-Y471 HydrophobicContact CB-CD1 4.28Å; V462-Y471 HydrophobicContact CB-CE1 3.82Å; V462-Y471 HydrophobicContact CG1-CE1 4.36Å; V462-Y471 HydrophobicContact CG2-CE1 3.79Å; V462-R474 WeakPolarHBondContact O-CD 3.21Å; V462-R474 PolarHBondContact O-NH1 2.7Å
463	F	95.4	Very high	93.2	Very high	65 Å²	65	36.2 Å²	36.2	29%	0.285	19%	0.19	S	C	.	.			trans	-65.1	-43.5	178.2	178.9	-114.3	0	0	0	112.7	Y454 L457 E458 P465 R474 M478	Y454-F463 HydrophobicContact CD1-CD2 4.44Å; Y454-F463 AromaticContact CD1-CE2 3.49Å; Y454-F463 HydrophobicContact CD1-CE2 3.49Å; Y454-F463 VanDerWaalsContact CD1-CE2 3.49Å; Y454-F463 AromaticContact CD1-CZ 3.88Å; Y454-F463 HydrophobicContact CD1-CZ 3.88Å; Y454-F463 HydrophobicContact CE1-CE2 4.12Å; Y454-F463 HydrophobicContact CE1-CZ 4.42Å; L457-F463 HydrophobicContact CB-CB 3.79Å; L457-F463 HydrophobicContact CB-CD2 4.07Å; L457-F463 HydrophobicContact CB-CG 4.43Å; L457-F463 HydrophobicContact CD1-CD2 3.93Å; L457-F463 PolarHBondContact O-N 3.35Å; E458-F463 HydrophobicContact CG-CB 4.03Å; E458-F463 HydrophobicContact CG-CD1 4.22Å; E458-F463 HydrophobicContact CG-CG 4.09Å; F463-P465 WeakPolarHBondContact O-CD 3.15Å; F463-R474 WeakPolarHBondContact O-CD 3.05Å; F463-M478 HydrophobicContact CE2-CE 4Å; F463-M478 HydrophobicContact CE2-SD 4.06Å
464	D	91.8	Very high	93.2	Very high	59 Å²	59	36.4 Å²	36.4	32%	0.316	19%	0.191	S	C	.	.			trans	-64.4	118.7	-175.4	172.6	27.2	0	0	0	112	N466 S467 R474	D464-N466 PolarHBondContact O-N 2.81Å; D464-N466 WeakPolarHBondContact OD1-CB 3.35Å; D464-N466 PolarHBondContact OD1-N 2.85Å; D464-N466 PolarHBondContact OD1-ND2 2.92Å; D464-S467 PolarHBondContact O-N 2.86Å; D464-S467 WeakPolarHBondContact OD2-CB 3.35Å; D464-S467 PolarHBondContact OD2-N 3.31Å; D464-S467 PolarHBondContact OD2-OG 3.45Å; D464-R474 PolarHBondContact O-NH1 3.21Å
465	P	86.4	Confident	93.1	Very high	76 Å²	76	36.2 Å²	36.2	49%	0.494	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-20	177.4	26.8	-34.1	0	0	0	113.5	F463 G469	F463-P465 WeakPolarHBondContact O-CD 3.15Å; P465-G469 WeakPolarHBondContact O-CA 3.28Å; P465-G469 PolarHBondContact O-N 3.32Å
466	N	86.3	Confident	93.1	Very high	140 Å²	140	30 Å²	30	75%	0.749	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-29	178.7	-55.6	-64.9	0	0	0	112.8	D464	D464-N466 PolarHBondContact O-N 2.81Å; D464-N466 WeakPolarHBondContact OD1-CB 3.35Å; D464-N466 PolarHBondContact OD1-N 2.85Å; D464-N466 PolarHBondContact OD1-ND2 2.92Å
467	S	81.6	Confident	93.1	Very high	15 Å²	15	29.7 Å²	29.7	11%	0.105	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-23.9	-175.6	-64.4	0	0	0	0	113.3	N288 Y291 D464	N288-S467 PolarHBondContact ND2-OG 3.05Å; N288-S467 VanDerWaalsContact ND2-OG 3.14Å; Y291-S467 PolarHBondContact OH-O 2.97Å; D464-S467 PolarHBondContact O-N 2.86Å; D464-S467 WeakPolarHBondContact OD2-CB 3.35Å; D464-S467 PolarHBondContact OD2-N 3.31Å; D464-S467 PolarHBondContact OD2-OG 3.45Å
468	L	90	Very high	93.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.179	C	C	.	.	S	Bend	trans	-148.7	73.4	173.3	-177.3	56.3	0	0	0	109.4	I247 Y291 Y318 L324 V462 N470 Y471 R474	I247-L468 HydrophobicContact CG2-CD2 4.13Å; Y291-L468 HydrophobicContact CD1-CD2 4.3Å; Y291-L468 HydrophobicContact CE1-CB 4.33Å; Y291-L468 HydrophobicContact CE1-CD2 3.95Å; Y291-L468 HydrophobicContact CE2-CB 4.44Å; Y291-L468 HydrophobicContact CE2-CD1 4.22Å; Y291-L468 WeakPolarHBondContact OH-CB 3.29Å; Y318-L468 HydrophobicContact CD2-CD1 3.42Å; Y318-L468 VanDerWaalsContact CD2-CD1 3.42Å; Y318-L468 HydrophobicContact CE2-CD1 3.61Å; Y318-L468 HydrophobicContact CG-CD1 3.91Å; L324-L468 HydrophobicContact CD1-CD1 4.37Å; V462-L468 HydrophobicContact CG1-CD2 4.33Å; L468-N470 VanDerWaalsContact C-N 3.33Å; L468-N470 PolarHBondContact O-N 3.35Å; L468-Y471 HydrophobicContact CD2-CD1 3.75Å; L468-Y471 HydrophobicContact CD2-CE1 4.15Å; L468-Y471 HydrophobicContact CG-CD1 4.28Å; L468-R474 PolarHBondContact O-NH1 2.99Å; L468-R474 PolarHBondContact O-NH2 2.8Å
469	G	80.4	Confident	93.1	Very high	8 Å²	8	31.3 Å²	31.3	8%	0.082	18%	0.176	C	C	.	.			trans	-76.4	-4.8	-162.1	0	0	0	0	0	117.5	Y318 R322 P465	Y318-G469 PolarHBondContact OH-N 3.01Å; Y318-G469 VanDerWaalsContact OH-N 3.09Å; R322-G469 VanDerWaalsContact NH2-C 3.31Å; R322-G469 PolarHBondContact NH2-O 3.1Å; P465-G469 WeakPolarHBondContact O-CA 3.28Å; P465-G469 PolarHBondContact O-N 3.32Å
470	N	84.3	Confident	93.2	Very high	17 Å²	17	28 Å²	28	9%	0.091	15%	0.153	C	C	.	.			trans	-116.9	65.8	176.7	-172.5	19.8	0	0	0	108.3	I247 Y318 L468 P472 H706	I247-N470 WeakPolarHBondContact CD1-O 3.41Å; Y318-N470 PolarHBondContact OH-N 2.8Å; L468-N470 VanDerWaalsContact C-N 3.33Å; L468-N470 PolarHBondContact O-N 3.35Å; N470-P472 WeakPolarHBondContact O-CD 3.14Å; N470-H706 PolarHBondContact ND2-CD2 3.09Å; N470-H706 PolarHBondContact ND2-ND1 3.11Å; N470-H706 PolarHBondContact ND2-NE2 2.94Å
471	Y	94.9	Very high	93.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.			trans	-116.1	86.3	-176.8	-166	161.6	0	0	0	108.9	I247 P252 I255 R460 V462 L468 Y473 R474 E475	I247-Y471 VanDerWaalsContact CA-CE2 3.47Å; I247-Y471 HydrophobicContact CB-CD2 3.47Å; I247-Y471 VanDerWaalsContact CB-CD2 3.47Å; I247-Y471 HydrophobicContact CB-CE2 3.61Å; I247-Y471 HydrophobicContact CB-CG 4.04Å; I247-Y471 HydrophobicContact CG2-CD1 4.21Å; I247-Y471 HydrophobicContact CG2-CD2 3.87Å; I247-Y471 HydrophobicContact CG2-CE1 4.14Å; I247-Y471 HydrophobicContact CG2-CE2 3.8Å; I247-Y471 HydrophobicContact CG2-CG 4.06Å; I247-Y471 VanDerWaalsContact O-CD2 3.23Å; I247-Y471 WeakPolarHBondContact O-CD2 3.15Å; I247-Y471 VanDerWaalsContact O-CE2 3.23Å; I247-Y471 WeakPolarHBondContact O-CE2 3.36Å; P252-Y471 HydrophobicContact CB-CE2 4.18Å; P252-Y471 PolarHBondContact O-OH 2.98Å; I255-Y471 HydrophobicContact CG2-CE1 4.32Å; R460-Y471 PolarHBondContact NH1-OH 3.47Å; R460-Y471 PolarHBondContact NH2-OH 2.9Å; V462-Y471 HydrophobicContact CB-CD1 4.28Å; V462-Y471 HydrophobicContact CB-CE1 3.82Å; V462-Y471 HydrophobicContact CG1-CE1 4.36Å; V462-Y471 HydrophobicContact CG2-CE1 3.79Å; L468-Y471 HydrophobicContact CD2-CD1 3.75Å; L468-Y471 HydrophobicContact CD2-CE1 4.15Å; L468-Y471 HydrophobicContact CG-CD1 4.28Å; Y471-Y473 HydrophobicContact CE2-CD1 4.04Å; Y471-Y473 HydrophobicContact CE2-CG 4.42Å; Y471-Y473 PolarHBondContact O-N 3Å; Y471-R474 HydrophobicContact CD1-CB 4.13Å; Y471-R474 HydrophobicContact CD2-CB 4.16Å; Y471-R474 HydrophobicContact CG-CB 3.87Å; Y471-R474 PolarHBondContact O-N 2.86Å; Y471-R474 VanDerWaalsContact O-N 3.09Å; Y471-E475 PolarHBondContact N-OE1 2.87Å; Y471-E475 VanDerWaalsContact N-OE1 3.16Å; Y471-E475 PolarHBondContact O-N 3.32Å; Y471-E475 VanDerWaalsContact O-N 3.13Å
472	P	95.8	Very high	93.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57	-45	-169.8	-28.8	36.9	0	0	0	114.1	R248 N470 R474 E475 D476 H706 Y708	R248-P472 HydrophobicContact CB-CB 4.21Å; R248-P472 HydrophobicContact CB-CG 3.99Å; N470-P472 WeakPolarHBondContact O-CD 3.14Å; P472-R474 PolarHBondContact O-N 3.49Å; P472-E475 PolarHBondContact O-N 3.4Å; P472-D476 WeakPolarHBondContact O-CB 3.34Å; P472-D476 VanDerWaalsContact O-CG 3.3Å; P472-D476 PolarHBondContact O-N 2.97Å; P472-H706 HydrophobicContact CG-CB 4.38Å; P472-H706 WeakPolarHBondContact CG-O 3.18Å; P472-Y708 VanDerWaalsContact CB-CB 3.41Å; P472-Y708 HydrophobicContact CB-CD1 4.14Å; P472-Y708 HydrophobicContact CB-CG 3.95Å
473	Y	97.7	Very high	93.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-55.3	-49.1	176.7	166.3	-97.7	0	0	0	112	I247 P252 F253 Y471 A477 Y573 I577 A582 Y708 L711	I247-Y473 WeakPolarHBondContact O-CB 3.25Å; I247-Y473 PolarHBondContact O-N 2.92Å; P252-Y473 HydrophobicContact CB-CD1 4Å; P252-Y473 HydrophobicContact CB-CD2 4.32Å; P252-Y473 HydrophobicContact CB-CG 3.72Å; P252-Y473 HydrophobicContact CG-CD1 4.07Å; P252-Y473 HydrophobicContact CG-CD2 3.65Å; P252-Y473 HydrophobicContact CG-CE2 4.24Å; P252-Y473 HydrophobicContact CG-CG 3.58Å; F253-Y473 HydrophobicContact CD1-CE1 4.48Å; F253-Y473 HydrophobicContact CE1-CE1 4.02Å; F253-Y473 HydrophobicContact CE1-CE2 4.05Å; F253-Y473 AromaticContact CE1-CZ 3.49Å; F253-Y473 VanDerWaalsContact CE1-CZ 3.49Å; F253-Y473 WeakPolarHBondContact CE1-OH 3.48Å; F253-Y473 AromaticContact CZ-CE2 3.84Å; F253-Y473 HydrophobicContact CZ-CE2 3.84Å; F253-Y473 AromaticContact CZ-CZ 3.79Å; Y471-Y473 HydrophobicContact CE2-CD1 4.04Å; Y471-Y473 HydrophobicContact CE2-CG 4.42Å; Y471-Y473 PolarHBondContact O-N 3Å; Y473-A477 HydrophobicContact CD2-CB 4.38Å; Y473-A477 HydrophobicContact CE2-CB 4.02Å; Y473-A477 WeakPolarHBondContact O-CB 3.15Å; Y473-A477 PolarHBondContact O-N 2.91Å; Y473-Y573 PolarHBondContact OH-OH 3.47Å; Y473-I577 HydrophobicContact CE2-CG2 4.32Å; Y473-A582 HydrophobicContact CD2-CB 3.9Å; Y473-A582 HydrophobicContact CE2-CB 3.72Å; Y473-Y708 HydrophobicContact CD2-CE1 4.34Å; Y473-L711 HydrophobicContact CD2-CD1 3.92Å; Y473-L711 HydrophobicContact CE2-CD1 4.3Å
474	R	97	Very high	93.6	Very high	4 Å²	4	28 Å²	28	2%	0.015	15%	0.151	C	C	.	.	H	α-helix	trans	-60.5	-52.5	-179.1	171.7	-174	69.8	-159	-5.1	111	L457 V462 F463 D464 L468 Y471 P472 D476 M478	L457-R474 HydrophobicContact CD1-CB 4.35Å; L457-R474 HydrophobicContact CD1-CG 3.63Å; L457-R474 HydrophobicContact CD2-CB 4.01Å; L457-R474 HydrophobicContact CD2-CG 4.04Å; V462-R474 WeakPolarHBondContact O-CD 3.21Å; V462-R474 PolarHBondContact O-NH1 2.7Å; F463-R474 WeakPolarHBondContact O-CD 3.05Å; D464-R474 PolarHBondContact O-NH1 3.21Å; L468-R474 PolarHBondContact O-NH1 2.99Å; L468-R474 PolarHBondContact O-NH2 2.8Å; Y471-R474 HydrophobicContact CD1-CB 4.13Å; Y471-R474 HydrophobicContact CD2-CB 4.16Å; Y471-R474 HydrophobicContact CG-CB 3.87Å; Y471-R474 PolarHBondContact O-N 2.86Å; Y471-R474 VanDerWaalsContact O-N 3.09Å; P472-R474 PolarHBondContact O-N 3.49Å; R474-D476 PolarHBondContact O-N 3.42Å; R474-M478 HydrophobicContact CG-SD 3.89Å; R474-M478 WeakPolarHBondContact O-CB 3.26Å; R474-M478 VanDerWaalsContact O-CG 3.22Å; R474-M478 WeakPolarHBondContact O-CG 3.28Å; R474-M478 PolarHBondContact O-N 3.12Å; R474-M478 VanDerWaalsContact O-N 3.11Å
475	E	96	Very high	93.9	Very high	53 Å²	53	28 Å²	28	25%	0.248	15%	0.149	C	C	.	.	H	α-helix	trans	-59.5	-49.9	-174.3	-73.5	158.2	-154.1	0	0	110.9	Y471 P472 R702	Y471-E475 PolarHBondContact N-OE1 2.87Å; Y471-E475 VanDerWaalsContact N-OE1 3.16Å; Y471-E475 PolarHBondContact O-N 3.32Å; Y471-E475 VanDerWaalsContact O-N 3.13Å; P472-E475 PolarHBondContact O-N 3.4Å; E475-R702 IonicContact OE2-CZ 2.74Å; E475-R702 IonicContact OE2-NE 3.81Å; E475-R702 IonicContact OE2-NH2 2.86Å; E475-R702 PolarHBondContact OE2-NH2 3.08Å
476	D	97.6	Very high	94.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-76.1	-40.8	-174.1	-56.4	-19.3	0	0	0	110.6	P472 R474 M478 L479 I480 V695 N698 R702 L711	P472-D476 WeakPolarHBondContact O-CB 3.34Å; P472-D476 VanDerWaalsContact O-CG 3.3Å; P472-D476 PolarHBondContact O-N 2.97Å; R474-D476 PolarHBondContact O-N 3.42Å; D476-M478 VanDerWaalsContact C-N 3.3Å; D476-M478 PolarHBondContact O-N 3.14Å; D476-L479 WeakPolarHBondContact O-CB 3.41Å; D476-L479 PolarHBondContact O-N 3.21Å; D476-I480 WeakPolarHBondContact O-CD1 3.41Å; D476-I480 PolarHBondContact O-N 3.36Å; D476-V695 HydrophobicContact CB-CG2 4.06Å; D476-N698 PolarHBondContact OD1-ND2 3.48Å; D476-R702 IonicContact OD1-CZ 3.44Å; D476-R702 IonicContact OD1-NH1 2.81Å; D476-R702 PolarHBondContact OD1-NH1 3.28Å; D476-R702 IonicContact OD1-NH2 3.7Å; D476-R702 PolarHBondContact OD1-NH2 2.73Å; D476-R702 IonicContact OD2-CZ 3.16Å; D476-R702 IonicContact OD2-NH1 3Å; D476-R702 PolarHBondContact OD2-NH1 3.22Å; D476-R702 IonicContact OD2-NH2 2.84Å; D476-R702 PolarHBondContact OD2-NH2 3.3Å; D476-L711 HydrophobicContact CB-CB 3.89Å; D476-L711 HydrophobicContact CB-CD1 4.13Å
477	A	98.2	Very high	95.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.4	-34.7	178.7	0	0	0	0	0	113	I453 Y473 I480 Y481 I577 L711	I453-A477 HydrophobicContact CD1-CB 3.32Å; Y473-A477 HydrophobicContact CD2-CB 4.38Å; Y473-A477 HydrophobicContact CE2-CB 4.02Å; Y473-A477 WeakPolarHBondContact O-CB 3.15Å; Y473-A477 PolarHBondContact O-N 2.91Å; A477-I480 PolarHBondContact O-N 3.28Å; A477-Y481 VanDerWaalsContact O-CB 3.28Å; A477-Y481 WeakPolarHBondContact O-CB 3.18Å; A477-Y481 PolarHBondContact O-N 2.89Å; A477-I577 HydrophobicContact CB-CG2 3.86Å; A477-L711 HydrophobicContact CB-CD1 3.55Å
478	M	97.5	Very high	95.9	Very high	51 Å²	51	21 Å²	21	25%	0.251	10%	0.104	S	C	.	.	H	α-helix	trans	-66.6	-35.9	177.1	-77	-178.7	59.6	0	0	112.5	I453 Y454 L457 F463 R474 D476 H482	I453-M478 HydrophobicContact CD1-CB 4.44Å; I453-M478 HydrophobicContact CD1-CG 3.66Å; I453-M478 HydrophobicContact CG1-CG 4.28Å; Y454-M478 HydrophobicContact CD1-CE 4.4Å; Y454-M478 HydrophobicContact CE1-CE 3.68Å; L457-M478 HydrophobicContact CD1-SD 4.31Å; F463-M478 HydrophobicContact CE2-CE 4Å; F463-M478 HydrophobicContact CE2-SD 4.06Å; R474-M478 HydrophobicContact CG-SD 3.89Å; R474-M478 WeakPolarHBondContact O-CB 3.26Å; R474-M478 VanDerWaalsContact O-CG 3.22Å; R474-M478 WeakPolarHBondContact O-CG 3.28Å; R474-M478 PolarHBondContact O-N 3.12Å; R474-M478 VanDerWaalsContact O-N 3.11Å; D476-M478 VanDerWaalsContact C-N 3.3Å; D476-M478 PolarHBondContact O-N 3.14Å; M478-H482 WeakPolarHBondContact O-CB 3.31Å; M478-H482 PolarHBondContact O-N 3.2Å
479	L	98	Very high	96.3	Very high	59 Å²	59	22 Å²	22	31%	0.309	11%	0.111	S	C	.	.	H	α-helix	trans	-62.7	-46.4	176	-63.1	173.1	0	0	0	110.9	D476 H482 A483 V691 Q694	D476-L479 WeakPolarHBondContact O-CB 3.41Å; D476-L479 PolarHBondContact O-N 3.21Å; L479-H482 PolarHBondContact O-N 2.79Å; L479-A483 PolarHBondContact O-N 3.25Å; L479-A483 VanDerWaalsContact O-N 3.14Å; L479-V691 HydrophobicContact CB-CG1 3.85Å; L479-V691 HydrophobicContact CB-CG2 4.22Å; L479-Q694 HydrophobicContact CD1-CB 4.14Å; L479-Q694 HydrophobicContact CD1-CG 3.67Å
480	I	98.5	Very high	97.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69.8	-41.5	-178.7	-56	139.9	0	0	0	110.4	D476 A477 H482 A483 L484 I577 L664 V691 L711 P713 M716	D476-I480 WeakPolarHBondContact O-CD1 3.41Å; D476-I480 PolarHBondContact O-N 3.36Å; A477-I480 PolarHBondContact O-N 3.28Å; I480-H482 VanDerWaalsContact C-N 3.28Å; I480-H482 PolarHBondContact O-N 3.3Å; I480-A483 PolarHBondContact O-N 3.48Å; I480-L484 HydrophobicContact CG2-CD1 4.06Å; I480-L484 WeakPolarHBondContact O-CB 3.48Å; I480-L484 WeakPolarHBondContact O-CG 3.24Å; I480-L484 PolarHBondContact O-N 3.12Å; I480-I577 HydrophobicContact CB-CD1 4.16Å; I480-I577 HydrophobicContact CB-CG1 4.43Å; I480-I577 HydrophobicContact CG2-CD1 4.01Å; I480-I577 HydrophobicContact CG2-CG1 4Å; I480-L664 HydrophobicContact CG2-CD2 4.09Å; I480-V691 HydrophobicContact CG1-CG1 3.73Å; I480-L711 HydrophobicContact CD1-CB 3.67Å; I480-L711 HydrophobicContact CD1-CD1 4.37Å; I480-L711 HydrophobicContact CD1-CD2 4.14Å; I480-L711 HydrophobicContact CD1-CG 4.28Å; I480-L711 VanDerWaalsContact CD1-O 3.3Å; I480-L711 WeakPolarHBondContact CD1-O 3.36Å; I480-P713 HydrophobicContact CG1-CG 4.41Å; I480-M716 HydrophobicContact CD1-CE 4.37Å; I480-M716 HydrophobicContact CD1-SD 3.7Å; I480-M716 HydrophobicContact CG1-SD 4.21Å; I480-M716 HydrophobicContact CG2-CE 4.21Å; I480-M716 HydrophobicContact CG2-SD 4.3Å
481	Y	98.5	Very high	97.9	Very high	3 Å²	3	24.3 Å²	24.3	1%	0.012	12%	0.121	C	C	.	.	H	α-helix	trans	-58.4	-42.8	175.2	-171.7	-79.8	0	0	0	111.1	N452 I453 Y454 A477 L484 E485 M569 Y573	N452-Y481 PolarHBondContact ND2-OH 3.11Å; I453-Y481 HydrophobicContact CB-CD2 4.23Å; I453-Y481 HydrophobicContact CG2-CD1 4.02Å; I453-Y481 HydrophobicContact CG2-CD2 3.5Å; I453-Y481 VanDerWaalsContact CG2-CD2 3.5Å; I453-Y481 HydrophobicContact CG2-CE1 4.4Å; I453-Y481 HydrophobicContact CG2-CE2 3.91Å; I453-Y481 HydrophobicContact CG2-CG 3.55Å; Y454-Y481 HydrophobicContact CD2-CE1 4.16Å; Y454-Y481 AromaticContact CE2-CD1 3.62Å; Y454-Y481 HydrophobicContact CE2-CD1 3.62Å; Y454-Y481 AromaticContact CE2-CE1 3.52Å; Y454-Y481 HydrophobicContact CE2-CE1 3.52Å; Y454-Y481 HydrophobicContact CE2-CG 4.49Å; A477-Y481 VanDerWaalsContact O-CB 3.28Å; A477-Y481 WeakPolarHBondContact O-CB 3.18Å; A477-Y481 PolarHBondContact O-N 2.89Å; Y481-L484 PolarHBondContact O-N 3.01Å; Y481-E485 HydrophobicContact CD1-CB 4.43Å; Y481-E485 HydrophobicContact CE1-CB 4.34Å; Y481-E485 VanDerWaalsContact O-CB 3.29Å; Y481-E485 WeakPolarHBondContact O-CB 3.19Å; Y481-E485 PolarHBondContact O-N 2.82Å; Y481-M569 HydrophobicContact CD1-CE 3.91Å; Y481-M569 HydrophobicContact CD2-CE 3.71Å; Y481-M569 HydrophobicContact CE1-CE 3.75Å; Y481-M569 HydrophobicContact CE2-CB 4.46Å; Y481-M569 HydrophobicContact CE2-CE 3.57Å; Y481-M569 HydrophobicContact CG-CE 3.89Å; Y481-M569 WeakPolarHBondContact O-CE 3.42Å; Y481-Y573 AromaticContact CD2-CD2 3.97Å; Y481-Y573 HydrophobicContact CD2-CD2 3.97Å; Y481-Y573 HydrophobicContact CD2-CG 4.32Å; Y481-Y573 HydrophobicContact CE2-CD2 4.4Å; Y481-Y573 HydrophobicContact CE2-CG 4.33Å
482	H	98.4	Very high	98	Very high	95 Å²	95	24.3 Å²	24.3	44%	0.44	12%	0.121	S	C	.	.	H	α-helix	trans	-63.6	-45.5	178.4	-175.1	66	0	0	0	112.3	M478 L479 I480 L484 E485 Q486	M478-H482 WeakPolarHBondContact O-CB 3.31Å; M478-H482 PolarHBondContact O-N 3.2Å; L479-H482 PolarHBondContact O-N 2.79Å; I480-H482 VanDerWaalsContact C-N 3.28Å; I480-H482 PolarHBondContact O-N 3.3Å; H482-L484 PolarHBondContact O-N 2.99Å; H482-E485 PolarHBondContact O-N 3.41Å; H482-Q486 WeakPolarHBondContact O-CG 3.48Å; H482-Q486 PolarHBondContact O-N 3.06Å
483	A	98.6	Very high	98.2	Very high	5 Å²	5	29.8 Å²	29.8	4%	0.041	14%	0.141	C	C	.	.	H	α-helix	trans	-60	-44.9	176	0	0	0	0	0	111.9	L479 I480 E485 Q486 F487 F684 D687 V691	L479-A483 PolarHBondContact O-N 3.25Å; L479-A483 VanDerWaalsContact O-N 3.14Å; I480-A483 PolarHBondContact O-N 3.48Å; A483-E485 PolarHBondContact O-N 2.93Å; A483-Q486 PolarHBondContact O-N 3.44Å; A483-F487 PolarHBondContact O-N 3.13Å; A483-F684 HydrophobicContact CB-CD2 4.46Å; A483-F684 HydrophobicContact CB-CE2 4.23Å; A483-D687 HydrophobicContact CB-CB 4.27Å; A483-V691 HydrophobicContact CB-CG2 4.42Å
484	L	98.6	Very high	98.2	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-62.2	-40.7	175.1	-77.6	168	0	0	0	112.5	I480 Y481 H482 T488 M569 I576 I577 F684	I480-L484 HydrophobicContact CG2-CD1 4.06Å; I480-L484 WeakPolarHBondContact O-CB 3.48Å; I480-L484 WeakPolarHBondContact O-CG 3.24Å; I480-L484 PolarHBondContact O-N 3.12Å; Y481-L484 PolarHBondContact O-N 3.01Å; H482-L484 PolarHBondContact O-N 2.99Å; L484-T488 WeakPolarHBondContact O-CB 3.44Å; L484-T488 PolarHBondContact O-N 3.29Å; L484-T488 PolarHBondContact O-OG1 2.78Å; L484-M569 HydrophobicContact CB-CE 3.71Å; L484-M569 HydrophobicContact CB-SD 4Å; L484-I576 HydrophobicContact CD1-CD1 4.03Å; L484-I576 HydrophobicContact CD2-CD1 3.85Å; L484-I577 HydrophobicContact CD1-CD1 4.08Å; L484-I577 HydrophobicContact CD1-CG1 4.5Å; L484-F684 HydrophobicContact CD2-CE1 4.41Å; L484-F684 HydrophobicContact CD2-CE2 3.86Å; L484-F684 HydrophobicContact CD2-CZ 3.49Å; L484-F684 VanDerWaalsContact CD2-CZ 3.49Å; L484-F684 HydrophobicContact CG-CE2 4.14Å; L484-F684 HydrophobicContact CG-CZ 4.17Å
485	E	98.5	Very high	98.2	Very high	60 Å²	60	33 Å²	33	28%	0.28	16%	0.158	S	C	.	.	H	α-helix	trans	-66	-42.9	179.4	-175.9	178.2	-124.5	0	0	111.5	Y481 H482 A483 T488 S489 V565 M569	Y481-E485 HydrophobicContact CD1-CB 4.43Å; Y481-E485 HydrophobicContact CE1-CB 4.34Å; Y481-E485 VanDerWaalsContact O-CB 3.29Å; Y481-E485 WeakPolarHBondContact O-CB 3.19Å; Y481-E485 PolarHBondContact O-N 2.82Å; H482-E485 PolarHBondContact O-N 3.41Å; A483-E485 PolarHBondContact O-N 2.93Å; E485-T488 PolarHBondContact O-N 3.06Å; E485-S489 VanDerWaalsContact O-CB 3.23Å; E485-S489 WeakPolarHBondContact O-CB 3.43Å; E485-S489 PolarHBondContact O-N 3.4Å; E485-V565 HydrophobicContact CG-CG1 4.46Å; E485-M569 VanDerWaalsContact CA-SD 3.55Å; E485-M569 HydrophobicContact CB-CE 4Å; E485-M569 HydrophobicContact CB-CG 4.42Å; E485-M569 HydrophobicContact CB-SD 4.13Å; E485-M569 HydrophobicContact CG-CG 4.5Å
486	Q	98.5	Very high	98.3	Very high	77 Å²	77	30.7 Å²	30.7	36%	0.36	15%	0.147	S	C	.	.	H	α-helix	trans	-61.8	-49.3	175.5	-71.1	-58.5	-41.3	0	0	111.4	H482 A483 T488 S489 N490	H482-Q486 WeakPolarHBondContact O-CG 3.48Å; H482-Q486 PolarHBondContact O-N 3.06Å; A483-Q486 PolarHBondContact O-N 3.44Å; Q486-T488 PolarHBondContact O-N 3.43Å; Q486-S489 PolarHBondContact O-N 3.15Å; Q486-N490 WeakPolarHBondContact O-CB 3.46Å; Q486-N490 VanDerWaalsContact O-CG 3.3Å; Q486-N490 PolarHBondContact O-N 3.44Å; Q486-N490 PolarHBondContact O-ND2 2.75Å; Q486-N490 VanDerWaalsContact O-ND2 3.12Å
487	F	98.6	Very high	98.2	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.035	18%	0.179	C	C	.	.	H	α-helix	trans	-57.9	-51.6	176.7	173.1	-125.3	0	0	0	111.5	L398 A483 S489 N490 Y491 I672 L680 L681 F684	L398-F487 HydrophobicContact CD1-CD1 4.16Å; L398-F487 HydrophobicContact CD1-CE1 3.4Å; L398-F487 HydrophobicContact CD1-CZ 3.82Å; A483-F487 PolarHBondContact O-N 3.13Å; F487-S489 PolarHBondContact O-N 3.29Å; F487-N490 PolarHBondContact O-N 2.88Å; F487-Y491 HydrophobicContact CE2-CD2 4.3Å; F487-Y491 HydrophobicContact CZ-CD2 4.34Å; F487-Y491 VanDerWaalsContact O-CB 3.26Å; F487-Y491 WeakPolarHBondContact O-CB 3.04Å; F487-Y491 PolarHBondContact O-N 3.03Å; F487-I672 HydrophobicContact CZ-CD1 3.94Å; F487-L680 HydrophobicContact CD2-CB 4.13Å; F487-L680 HydrophobicContact CE2-CB 4.05Å; F487-L681 HydrophobicContact CE2-CB 4.26Å; F487-L681 HydrophobicContact CZ-CD1 4.26Å; F487-F684 HydrophobicContact CB-CB 3.93Å; F487-F684 HydrophobicContact CB-CD2 3.79Å; F487-F684 HydrophobicContact CB-CG 3.91Å; F487-F684 HydrophobicContact CD1-CB 4.4Å; F487-F684 HydrophobicContact CD1-CD1 4.03Å; F487-F684 HydrophobicContact CD1-CD2 4.41Å; F487-F684 HydrophobicContact CD1-CE1 4.42Å; F487-F684 HydrophobicContact CD1-CG 4.02Å; F487-F684 HydrophobicContact CD2-CB 3.81Å; F487-F684 HydrophobicContact CD2-CG 4.32Å; F487-F684 HydrophobicContact CE1-CD1 4.33Å; F487-F684 HydrophobicContact CE2-CB 4.47Å; F487-F684 HydrophobicContact CG-CB 3.78Å; F487-F684 HydrophobicContact CG-CD1 4.27Å; F487-F684 HydrophobicContact CG-CD2 4.19Å; F487-F684 AromaticContact CG-CG 3.82Å; F487-F684 HydrophobicContact CG-CG 3.82Å
488	T	98.7	Very high	98.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-44.8	-179.1	-59.8	0	0	0	0	111.6	L398 L484 E485 Q486 Y491 V492 V565 L568 M569 L572	L398-T488 HydrophobicContact CD2-CG2 4.04Å; L484-T488 WeakPolarHBondContact O-CB 3.44Å; L484-T488 PolarHBondContact O-N 3.29Å; L484-T488 PolarHBondContact O-OG1 2.78Å; E485-T488 PolarHBondContact O-N 3.06Å; Q486-T488 PolarHBondContact O-N 3.43Å; T488-Y491 PolarHBondContact O-N 2.81Å; T488-V492 HydrophobicContact CG2-CG2 4.34Å; T488-V492 VanDerWaalsContact O-CG2 3.28Å; T488-V492 WeakPolarHBondContact O-CG2 3.3Å; T488-V492 PolarHBondContact O-N 3.42Å; T488-V565 HydrophobicContact CG2-CG1 4.25Å; T488-V565 HydrophobicContact CG2-CG2 4.44Å; T488-L568 HydrophobicContact CG2-CB 4.05Å; T488-L568 HydrophobicContact CG2-CD1 4.21Å; T488-M569 HydrophobicContact CG2-CG 4.46Å; T488-M569 HydrophobicContact CG2-SD 4.47Å; T488-L572 WeakPolarHBondContact OG1-CD1 3.5Å
489	S	98.7	Very high	98	Very high	22 Å²	22	36 Å²	36	15%	0.154	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-47.4	179.9	-166.8	0	0	0	0	111.9	E485 Q486 F487 Y491 V492 R493	E485-S489 VanDerWaalsContact O-CB 3.23Å; E485-S489 WeakPolarHBondContact O-CB 3.43Å; E485-S489 PolarHBondContact O-N 3.4Å; Q486-S489 PolarHBondContact O-N 3.15Å; F487-S489 PolarHBondContact O-N 3.29Å; S489-Y491 VanDerWaalsContact C-N 3.31Å; S489-Y491 PolarHBondContact O-N 3.19Å; S489-V492 PolarHBondContact O-N 3.43Å; S489-R493 WeakPolarHBondContact O-CB 3.15Å; S489-R493 VanDerWaalsContact O-CG 3.3Å; S489-R493 WeakPolarHBondContact O-CG 3.33Å; S489-R493 PolarHBondContact O-N 2.66Å; S489-R493 PolarHBondContact OG-NE 2.92Å
490	N	98.6	Very high	97.9	Very high	72 Å²	72	35.7 Å²	35.7	39%	0.385	20%	0.196	S	C	.	.	H	α-helix	trans	-64.7	-38.7	178.5	-69.5	-31.5	0	0	0	111.6	Q486 F487 L494 L680	Q486-N490 WeakPolarHBondContact O-CB 3.46Å; Q486-N490 VanDerWaalsContact O-CG 3.3Å; Q486-N490 PolarHBondContact O-N 3.44Å; Q486-N490 PolarHBondContact O-ND2 2.75Å; Q486-N490 VanDerWaalsContact O-ND2 3.12Å; F487-N490 PolarHBondContact O-N 2.88Å; N490-L494 PolarHBondContact O-N 3.33Å; N490-L494 VanDerWaalsContact O-N 3.08Å; N490-L680 HydrophobicContact CB-CD1 3.99Å; N490-L680 HydrophobicContact CB-CD2 3.88Å
491	Y	98.5	Very high	97.6	Very high	1 Å²	1	41 Å²	41	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-48.4	177.4	-170.8	-82.5	0	0	0	111.5	P394 L398 F487 T488 S489 R493 L494 F495 I672 A677	P394-Y491 HydrophobicContact CB-CE1 4.18Å; P394-Y491 VanDerWaalsContact O-CE1 3.24Å; P394-Y491 WeakPolarHBondContact O-CE1 3.41Å; P394-Y491 PolarHBondContact O-OH 3.04Å; L398-Y491 HydrophobicContact CB-CD1 4.22Å; L398-Y491 HydrophobicContact CB-CE1 3.9Å; L398-Y491 HydrophobicContact CD1-CD1 4.31Å; L398-Y491 HydrophobicContact CD1-CG 4.24Å; L398-Y491 HydrophobicContact CD2-CD1 4.02Å; L398-Y491 HydrophobicContact CD2-CE1 4.49Å; L398-Y491 HydrophobicContact CG-CD1 4.42Å; F487-Y491 HydrophobicContact CE2-CD2 4.3Å; F487-Y491 HydrophobicContact CZ-CD2 4.34Å; F487-Y491 VanDerWaalsContact O-CB 3.26Å; F487-Y491 WeakPolarHBondContact O-CB 3.04Å; F487-Y491 PolarHBondContact O-N 3.03Å; T488-Y491 PolarHBondContact O-N 2.81Å; S489-Y491 VanDerWaalsContact C-N 3.31Å; S489-Y491 PolarHBondContact O-N 3.19Å; Y491-R493 PolarHBondContact O-N 2.83Å; Y491-L494 WeakPolarHBondContact O-CB 3.25Å; Y491-L494 PolarHBondContact O-N 3.03Å; Y491-F495 HydrophobicContact CD1-CD2 4.01Å; Y491-F495 HydrophobicContact CD1-CE2 4.23Å; Y491-F495 HydrophobicContact CD2-CE2 4.35Å; Y491-F495 AromaticContact CE1-CD2 3.69Å; Y491-F495 HydrophobicContact CE1-CD2 3.69Å; Y491-F495 AromaticContact CE1-CE2 3.67Å; Y491-F495 HydrophobicContact CE1-CE2 3.67Å; Y491-F495 AromaticContact CE2-CE2 3.81Å; Y491-F495 HydrophobicContact CE2-CE2 3.81Å; Y491-F495 AromaticContact CZ-CD2 3.98Å; Y491-F495 AromaticContact CZ-CE2 3.44Å; Y491-F495 VanDerWaalsContact CZ-CE2 3.44Å; Y491-F495 WeakPolarHBondContact O-CD2 3.49Å; Y491-F495 PolarHBondContact O-N 2.8Å; Y491-I672 HydrophobicContact CD2-CD1 4.36Å; Y491-I672 HydrophobicContact CE2-CD1 3.72Å; Y491-I672 HydrophobicContact CE2-CG1 3.98Å; Y491-I672 HydrophobicContact CE2-CG2 4.14Å; Y491-A677 HydrophobicContact CD2-CB 4.24Å; Y491-A677 HydrophobicContact CE2-CB 3.85Å
492	V	98.6	Very high	97.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.6	-45	177.6	175.7	0	0	0	0	110.6	I395 T488 S489 L494 F495 Y496 V561 V564 V565 L568	I395-V492 HydrophobicContact CD1-CG2 4.09Å; T488-V492 HydrophobicContact CG2-CG2 4.34Å; T488-V492 VanDerWaalsContact O-CG2 3.28Å; T488-V492 WeakPolarHBondContact O-CG2 3.3Å; T488-V492 PolarHBondContact O-N 3.42Å; S489-V492 PolarHBondContact O-N 3.43Å; V492-L494 PolarHBondContact O-N 2.95Å; V492-F495 PolarHBondContact O-N 2.75Å; V492-F495 VanDerWaalsContact O-N 3.08Å; V492-Y496 HydrophobicContact CG1-CD2 3.75Å; V492-Y496 HydrophobicContact CG1-CE2 4.29Å; V492-Y496 WeakPolarHBondContact O-CD2 3.47Å; V492-Y496 PolarHBondContact O-N 3Å; V492-V561 HydrophobicContact CB-CG1 4.45Å; V492-V561 HydrophobicContact CG1-CG1 3.89Å; V492-V564 HydrophobicContact CG1-CB 4.34Å; V492-V564 HydrophobicContact CG1-CG1 3.99Å; V492-V564 HydrophobicContact CG2-CG1 4.21Å; V492-V565 HydrophobicContact CB-CG2 4.16Å; V492-V565 HydrophobicContact CG1-CG2 4.5Å; V492-V565 HydrophobicContact CG2-CG2 4.11Å; V492-L568 HydrophobicContact CG2-CD1 3.76Å
493	R	98.2	Very high	97.5	Very high	114 Å²	114	37.9 Å²	37.9	43%	0.43	21%	0.207	S	C	.	.	H	α-helix	trans	-61.3	-30.4	178	-71.5	179.5	-165.8	-71.9	-1.9	113.4	S489 Y491 F495 V561 E562	S489-R493 WeakPolarHBondContact O-CB 3.15Å; S489-R493 VanDerWaalsContact O-CG 3.3Å; S489-R493 WeakPolarHBondContact O-CG 3.33Å; S489-R493 PolarHBondContact O-N 2.66Å; S489-R493 PolarHBondContact OG-NE 2.92Å; Y491-R493 PolarHBondContact O-N 2.83Å; R493-F495 VanDerWaalsContact C-N 3.32Å; R493-V561 HydrophobicContact CG-CG1 3.8Å; R493-E562 IonicContact CZ-OE1 3.79Å; R493-E562 IonicContact NH1-OE1 3.5Å; R493-E562 IonicContact NH2-OE1 2.88Å; R493-E562 PolarHBondContact NH2-OE1 3.01Å
494	L	97.6	Very high	97.3	Very high	54 Å²	54	38.3 Å²	38.3	28%	0.283	21%	0.209	S	C	.	.	H	α-helix	trans	-65.3	-36.5	176	176.2	64.6	0	0	0	112.1	N490 Y491 V492 K676 A677 L680	N490-L494 PolarHBondContact O-N 3.33Å; N490-L494 VanDerWaalsContact O-N 3.08Å; Y491-L494 WeakPolarHBondContact O-CB 3.25Å; Y491-L494 PolarHBondContact O-N 3.03Å; V492-L494 PolarHBondContact O-N 2.95Å; L494-K676 HydrophobicContact CD1-CB 3.79Å; L494-K676 HydrophobicContact CD1-CD 3.72Å; L494-K676 HydrophobicContact CD1-CG 4.43Å; L494-K676 HydrophobicContact CD2-CB 3.82Å; L494-K676 HydrophobicContact CG-CB 4.48Å; L494-A677 HydrophobicContact CD2-CB 3.72Å; L494-L680 HydrophobicContact CD2-CD1 4.19Å
495	F	97.1	Very high	97.2	Very high	18 Å²	18	42.7 Å²	42.7	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-97.3	-17.6	-175.5	-74.2	-79.3	0	0	0	114.5	A135 P394 Y491 V492 R493 P497 K674 A677	A135-F495 HydrophobicContact CB-CE1 3.64Å; A135-F495 HydrophobicContact CB-CZ 3.93Å; P394-F495 HydrophobicContact CB-CB 4.01Å; P394-F495 HydrophobicContact CB-CD1 3.55Å; P394-F495 HydrophobicContact CB-CD2 3.7Å; P394-F495 HydrophobicContact CB-CE1 3.8Å; P394-F495 HydrophobicContact CB-CE2 3.99Å; P394-F495 HydrophobicContact CB-CG 3.47Å; P394-F495 VanDerWaalsContact CB-CG 3.47Å; P394-F495 HydrophobicContact CB-CZ 4.02Å; P394-F495 HydrophobicContact CG-CB 4.12Å; P394-F495 HydrophobicContact CG-CD1 3.28Å; P394-F495 HydrophobicContact CG-CD2 4.38Å; P394-F495 HydrophobicContact CG-CE1 3.63Å; P394-F495 HydrophobicContact CG-CG 3.69Å; P394-F495 HydrophobicContact CG-CZ 4.34Å; Y491-F495 HydrophobicContact CD1-CD2 4.01Å; Y491-F495 HydrophobicContact CD1-CE2 4.23Å; Y491-F495 HydrophobicContact CD2-CE2 4.35Å; Y491-F495 AromaticContact CE1-CD2 3.69Å; Y491-F495 HydrophobicContact CE1-CD2 3.69Å; Y491-F495 AromaticContact CE1-CE2 3.67Å; Y491-F495 HydrophobicContact CE1-CE2 3.67Å; Y491-F495 AromaticContact CE2-CE2 3.81Å; Y491-F495 HydrophobicContact CE2-CE2 3.81Å; Y491-F495 AromaticContact CZ-CD2 3.98Å; Y491-F495 AromaticContact CZ-CE2 3.44Å; Y491-F495 VanDerWaalsContact CZ-CE2 3.44Å; Y491-F495 WeakPolarHBondContact O-CD2 3.49Å; Y491-F495 PolarHBondContact O-N 2.8Å; V492-F495 PolarHBondContact O-N 2.75Å; V492-F495 VanDerWaalsContact O-N 3.08Å; R493-F495 VanDerWaalsContact C-N 3.32Å; F495-P497 VanDerWaalsContact O-CD 3.3Å; F495-P497 WeakPolarHBondContact O-CD 3.25Å; F495-K674 HydrophobicContact CE1-CD 3.72Å; F495-K674 HydrophobicContact CZ-CD 3.94Å; F495-A677 HydrophobicContact CE2-CB 4.18Å; F495-A677 HydrophobicContact CZ-CB 4.42Å
496	Y	97.8	Very high	97.1	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.016	22%	0.216	C	C	.	.			trans	-117.7	61	172.9	-61	-89.2	0	0	0	111.8	I137 H393 I395 V492 G498 G499 Q502 I503 D506	I137-Y496 HydrophobicContact CG2-CE1 3.84Å; I137-Y496 HydrophobicContact CG2-CE2 4.44Å; H393-Y496 PolarHBondContact CE1-OH 3.39Å; I395-Y496 HydrophobicContact CD1-CE2 4.15Å; I395-Y496 HydrophobicContact CG1-CE2 4.29Å; V492-Y496 HydrophobicContact CG1-CD2 3.75Å; V492-Y496 HydrophobicContact CG1-CE2 4.29Å; V492-Y496 WeakPolarHBondContact O-CD2 3.47Å; V492-Y496 PolarHBondContact O-N 3Å; Y496-G498 PolarHBondContact O-N 2.93Å; Y496-G499 PolarHBondContact O-N 3.12Å; Y496-Q502 VanDerWaalsContact CA-OE1 3.24Å; Y496-Q502 HydrophobicContact CD1-CB 3.92Å; Y496-I503 HydrophobicContact CD1-CB 4.49Å; Y496-I503 HydrophobicContact CD1-CD1 4.47Å; Y496-I503 HydrophobicContact CD1-CG1 3.45Å; Y496-I503 VanDerWaalsContact CD1-CG1 3.45Å; Y496-I503 HydrophobicContact CE1-CG1 3.96Å; Y496-I503 HydrophobicContact CG-CD1 4.38Å; Y496-I503 HydrophobicContact CG-CG1 3.82Å; Y496-D506 HydrophobicContact CE1-CB 4.36Å; Y496-D506 WeakPolarHBondContact CE1-OD2 2.97Å; Y496-D506 PolarHBondContact OH-OD2 3.35Å
497	P	96.4	Very high	97	Very high	103 Å²	103	40.4 Å²	40.4	67%	0.669	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.7	179.2	27.1	-36.6	0	0	0	113.7	F495 G499 Q502	F495-P497 VanDerWaalsContact O-CD 3.3Å; F495-P497 WeakPolarHBondContact O-CD 3.25Å; P497-G499 VanDerWaalsContact C-N 3.25Å; P497-Q502 VanDerWaalsContact N-OE1 3.13Å
498	G	95.4	Very high	97	Very high	42 Å²	42	40.6 Å²	40.6	43%	0.433	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-3.3	172.9	0	0	0	0	0	113.9	Y496 T500	Y496-G498 PolarHBondContact O-N 2.93Å; G498-T500 PolarHBondContact O-N 3.21Å
499	G	95.9	Very high	97	Very high	17 Å²	17	40.6 Å²	40.6	18%	0.175	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	-126.1	178	0	0	0	0	0	112.2	Y496 P497 E501 Q502 I503	Y496-G499 PolarHBondContact O-N 3.12Å; P497-G499 VanDerWaalsContact C-N 3.25Å; G499-E501 VanDerWaalsContact C-N 3.29Å; G499-E501 PolarHBondContact O-N 3.37Å; G499-Q502 PolarHBondContact O-N 2.72Å; G499-I503 WeakPolarHBondContact O-CG1 3.08Å; G499-I503 PolarHBondContact O-N 2.9Å; G499-I503 VanDerWaalsContact O-N 3.13Å
500	T	95.3	Very high	96.9	Very high	53 Å²	53	40.9 Å²	40.9	33%	0.325	22%	0.221	S	C	.	.	H	α-helix	trans	-52.2	-42.8	-176	-68.3	0	0	0	0	113.6	G498 Q502 I503 I504 I535 N559	G498-T500 PolarHBondContact O-N 3.21Å; T500-Q502 VanDerWaalsContact C-N 3.33Å; T500-Q502 PolarHBondContact O-N 3.2Å; T500-I503 PolarHBondContact O-N 2.96Å; T500-I504 HydrophobicContact CG2-CG2 4.06Å; T500-I504 WeakPolarHBondContact O-CG1 3.4Å; T500-I504 WeakPolarHBondContact O-CG2 3.3Å; T500-I504 PolarHBondContact O-N 2.94Å; T500-I535 HydrophobicContact CG2-CD1 3.74Å; T500-N559 VanDerWaalsContact CA-O 3.24Å; T500-N559 WeakPolarHBondContact CA-O 3.27Å; T500-N559 WeakPolarHBondContact CB-O 3.05Å; T500-N559 WeakPolarHBondContact CG2-O 3.38Å; T500-N559 PolarHBondContact OG1-O 3.35Å
501	E	93.5	Very high	96.9	Very high	112 Å²	112	39.9 Å²	39.9	52%	0.523	22%	0.22	S	C	.	.	H	α-helix	trans	-61.6	-41.7	-176.4	-172	-74.1	151.4	0	0	111.8	G499 I504 H505	G499-E501 VanDerWaalsContact C-N 3.29Å; G499-E501 PolarHBondContact O-N 3.37Å; E501-I504 WeakPolarHBondContact O-CG1 3.44Å; E501-H505 PolarHBondContact O-ND1 3.16Å; E501-H505 IonicContact OE1-CE1 3.45Å; E501-H505 PolarHBondContact OE1-CE1 3.35Å; E501-H505 IonicContact OE1-ND1 3.15Å; E501-H505 PolarHBondContact OE1-ND1 2.85Å; E501-H505 VanDerWaalsContact OE1-ND1 3.15Å
502	Q	96.1	Very high	96.9	Very high	32 Å²	32	39.9 Å²	39.9	15%	0.15	22%	0.22	C	C	.	.	H	α-helix	trans	-74.3	-35.8	178.2	-69.8	-178.7	-46.3	0	0	112	I137 Q139 Y496 P497 G499 T500 D506	I137-Q502 HydrophobicContact CD1-CB 4.39Å; Q139-Q502 PolarHBondContact NE2-O 2.92Å; Y496-Q502 VanDerWaalsContact CA-OE1 3.24Å; Y496-Q502 HydrophobicContact CD1-CB 3.92Å; P497-Q502 VanDerWaalsContact N-OE1 3.13Å; G499-Q502 PolarHBondContact O-N 2.72Å; T500-Q502 VanDerWaalsContact C-N 3.33Å; T500-Q502 PolarHBondContact O-N 3.2Å; Q502-D506 PolarHBondContact O-N 3.14Å
503	I	97.6	Very high	96.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.9	-44	-176.9	-68.7	169.9	0	0	0	111.3	Y496 G499 T500 H505 D506 L509 Q510 L558 T560 V561 V564	Y496-I503 HydrophobicContact CD1-CB 4.49Å; Y496-I503 HydrophobicContact CD1-CD1 4.47Å; Y496-I503 HydrophobicContact CD1-CG1 3.45Å; Y496-I503 VanDerWaalsContact CD1-CG1 3.45Å; Y496-I503 HydrophobicContact CE1-CG1 3.96Å; Y496-I503 HydrophobicContact CG-CD1 4.38Å; Y496-I503 HydrophobicContact CG-CG1 3.82Å; G499-I503 WeakPolarHBondContact O-CG1 3.08Å; G499-I503 PolarHBondContact O-N 2.9Å; G499-I503 VanDerWaalsContact O-N 3.13Å; T500-I503 PolarHBondContact O-N 2.96Å; I503-H505 PolarHBondContact O-N 3.21Å; I503-D506 WeakPolarHBondContact O-CB 3.46Å; I503-D506 PolarHBondContact O-N 2.85Å; I503-D506 VanDerWaalsContact O-N 3.16Å; I503-L509 HydrophobicContact CG2-CD2 4.45Å; I503-Q510 PolarHBondContact O-NE2 3.23Å; I503-L558 HydrophobicContact CG2-CB 4.28Å; I503-L558 VanDerWaalsContact CG2-O 3.23Å; I503-L558 WeakPolarHBondContact CG2-O 3.43Å; I503-T560 VanDerWaalsContact CD1-C 3.48Å; I503-V561 HydrophobicContact CD1-CB 4.32Å; I503-V561 HydrophobicContact CD1-CG2 3.71Å; I503-V561 VanDerWaalsContact CD1-N 3.34Å; I503-V564 HydrophobicContact CD1-CG2 3.98Å; I503-V564 HydrophobicContact CG1-CG2 4.35Å; I503-V564 HydrophobicContact CG2-CG2 3.8Å
504	I	95.6	Very high	96.8	Very high	15 Å²	15	40.7 Å²	40.7	8%	0.077	23%	0.227	C	C	.	.	H	α-helix	trans	-66.4	-29.4	-178.7	64.4	-177.8	0	0	0	112.3	T500 E501 D506 I535 L537 N559	T500-I504 HydrophobicContact CG2-CG2 4.06Å; T500-I504 WeakPolarHBondContact O-CG1 3.4Å; T500-I504 WeakPolarHBondContact O-CG2 3.3Å; T500-I504 PolarHBondContact O-N 2.94Å; E501-I504 WeakPolarHBondContact O-CG1 3.44Å; I504-D506 VanDerWaalsContact C-N 3.34Å; I504-I535 HydrophobicContact CG2-CG2 4.34Å; I504-L537 HydrophobicContact CD1-CD1 4.08Å; I504-L537 HydrophobicContact CD1-CD2 3.78Å; I504-L537 HydrophobicContact CD1-CG 4.49Å; I504-N559 HydrophobicContact CG2-CB 4.25Å
505	H	95.3	Very high	96.8	Very high	93 Å²	93	39.1 Å²	39.1	43%	0.431	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	0.4	178.2	-63	114.6	0	0	0	112.8	Q139 E501 I503 N507	Q139-H505 HydrophobicContact CG-CB 4.44Å; Q139-H505 PolarHBondContact NE2-O 2.9Å; E501-H505 PolarHBondContact O-ND1 3.16Å; E501-H505 IonicContact OE1-CE1 3.45Å; E501-H505 PolarHBondContact OE1-CE1 3.35Å; E501-H505 IonicContact OE1-ND1 3.15Å; E501-H505 PolarHBondContact OE1-ND1 2.85Å; E501-H505 VanDerWaalsContact OE1-ND1 3.15Å; I503-H505 PolarHBondContact O-N 3.21Å; H505-N507 PolarHBondContact O-N 3.17Å; H505-N507 VanDerWaalsContact O-N 3.1Å
506	D	97.6	Very high	96.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.215	C	C	.	.			trans	-81.4	85.6	177.5	-171.1	-25.6	0	0	0	110.2	H393 Y496 Q502 I503 I504 E508 L509 Q510	H393-D506 IonicContact CE1-OD2 2.63Å; H393-D506 IonicContact NE2-OD1 2.74Å; H393-D506 IonicContact NE2-OD2 3.84Å; H393-D506 PolarHBondContact NE2-OD2 3.26Å; H393-D506 VanDerWaalsContact NE2-OD2 3.12Å; Y496-D506 HydrophobicContact CE1-CB 4.36Å; Y496-D506 WeakPolarHBondContact CE1-OD2 2.97Å; Y496-D506 PolarHBondContact OH-OD2 3.35Å; Q502-D506 PolarHBondContact O-N 3.14Å; I503-D506 WeakPolarHBondContact O-CB 3.46Å; I503-D506 PolarHBondContact O-N 2.85Å; I503-D506 VanDerWaalsContact O-N 3.16Å; I504-D506 VanDerWaalsContact C-N 3.34Å; D506-E508 VanDerWaalsContact C-N 3.25Å; D506-E508 PolarHBondContact O-N 3.18Å; D506-E508 PolarHBondContact OD1-N 3.44Å; D506-L509 HydrophobicContact CB-CB 4Å; D506-L509 VanDerWaalsContact CG-CB 3.42Å; D506-L509 PolarHBondContact O-N 3.13Å; D506-L509 WeakPolarHBondContact OD1-CB 3.37Å; D506-L509 PolarHBondContact OD1-N 3Å; D506-Q510 VanDerWaalsContact O-CG 3.27Å; D506-Q510 WeakPolarHBondContact O-CG 3.24Å; D506-Q510 PolarHBondContact O-N 3.13Å
507	N	96.5	Very high	96.9	Very high	88 Å²	88	39.2 Å²	39.2	47%	0.471	22%	0.224	S	C	.	.	H	α-helix	trans	-59	-33.8	-175.7	63.4	-46	0	0	0	113.2	P138 H505 S511	P138-N507 VanDerWaalsContact CB-OD1 3.28Å; P138-N507 WeakPolarHBondContact CB-OD1 3.47Å; P138-N507 WeakPolarHBondContact CG-OD1 3.32Å; H505-N507 PolarHBondContact O-N 3.17Å; H505-N507 VanDerWaalsContact O-N 3.1Å; N507-S511 WeakPolarHBondContact O-CB 3.48Å; N507-S511 PolarHBondContact O-N 2.61Å; N507-S511 PolarHBondContact O-OG 2.97Å
508	E	97.8	Very high	97	Very high	12 Å²	12	34.9 Å²	34.9	6%	0.056	20%	0.196	C	C	.	.	H	α-helix	trans	-68.7	-48.9	177.1	-70.1	-172.3	-172.5	0	0	111.3	P138 R147 N388 S390 H393 D506 Q510 S511 W512	P138-E508 HydrophobicContact CG-CB 4.06Å; P138-E508 HydrophobicContact CG-CG 3.72Å; R147-E508 IonicContact CZ-OE1 2.88Å; R147-E508 IonicContact CZ-OE2 3.61Å; R147-E508 IonicContact NE-OE1 3.27Å; R147-E508 PolarHBondContact NE-OE1 3.27Å; R147-E508 IonicContact NE-OE2 3.4Å; R147-E508 IonicContact NH2-OE1 3.65Å; R147-E508 PolarHBondContact NH2-OE1 2.89Å; R147-E508 IonicContact NH2-OE2 3.9Å; R147-E508 PolarHBondContact NH2-OE2 2.79Å; N388-E508 VanDerWaalsContact O-CB 3.29Å; N388-E508 WeakPolarHBondContact O-CB 3.25Å; N388-E508 WeakPolarHBondContact O-CG 3.45Å; S390-E508 PolarHBondContact N-OE2 3.1Å; H393-E508 IonicContact CD2-OE2 3.97Å; H393-E508 PolarHBondContact CD2-OE2 3.16Å; H393-E508 IonicContact CG-OE2 3.12Å; D506-E508 VanDerWaalsContact C-N 3.25Å; D506-E508 PolarHBondContact O-N 3.18Å; D506-E508 PolarHBondContact OD1-N 3.44Å; E508-Q510 VanDerWaalsContact C-N 3.35Å; E508-Q510 PolarHBondContact O-N 3.28Å; E508-S511 PolarHBondContact O-N 2.97Å; E508-W512 WeakPolarHBondContact O-CB 3.49Å; E508-W512 PolarHBondContact O-N 2.98Å
509	L	98.1	Very high	97	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-42	177.9	-178.3	59.9	0	0	0	111.8	I503 D506 W512 R513 L558 V564	I503-L509 HydrophobicContact CG2-CD2 4.45Å; D506-L509 HydrophobicContact CB-CB 4Å; D506-L509 VanDerWaalsContact CG-CB 3.42Å; D506-L509 PolarHBondContact O-N 3.13Å; D506-L509 WeakPolarHBondContact OD1-CB 3.37Å; D506-L509 PolarHBondContact OD1-N 3Å; L509-W512 HydrophobicContact CD1-CE3 4.21Å; L509-R513 WeakPolarHBondContact O-CB 3.15Å; L509-R513 PolarHBondContact O-N 3.39Å; L509-R513 VanDerWaalsContact O-N 3.11Å; L509-L558 HydrophobicContact CD1-CD1 3.93Å; L509-L558 HydrophobicContact CD2-CD1 4.36Å; L509-L558 HydrophobicContact CG-CD1 3.93Å; L509-V564 HydrophobicContact CD2-CG1 4.17Å; L509-V564 HydrophobicContact CD2-CG2 3.79Å
510	Q	98.1	Very high	97	Very high	27 Å²	27	36.7 Å²	36.7	13%	0.126	19%	0.193	C	C	.	.	H	α-helix	trans	-64.8	-43.5	175.9	-63.1	-45.4	-39.6	0	0	111.8	I503 D506 E508 R513 H514 G557 L558	I503-Q510 PolarHBondContact O-NE2 3.23Å; D506-Q510 VanDerWaalsContact O-CG 3.27Å; D506-Q510 WeakPolarHBondContact O-CG 3.24Å; D506-Q510 PolarHBondContact O-N 3.13Å; E508-Q510 VanDerWaalsContact C-N 3.35Å; E508-Q510 PolarHBondContact O-N 3.28Å; Q510-R513 PolarHBondContact O-N 3.45Å; Q510-H514 VanDerWaalsContact O-CB 3.26Å; Q510-H514 WeakPolarHBondContact O-CB 3.42Å; Q510-H514 PolarHBondContact O-N 2.89Å; Q510-G557 VanDerWaalsContact OE1-CA 3.23Å; Q510-L558 PolarHBondContact NE2-O 2.98Å
511	S	97.4	Very high	96.8	Very high	52 Å²	52	41.5 Å²	41.5	36%	0.364	21%	0.212	S	C	.	.	H	α-helix	trans	-65.5	-42.1	179.8	-60.9	0	0	0	0	111.8	N388 N507 E508 R513 H514 E515	N388-S511 WeakPolarHBondContact OD1-CB 3.24Å; N507-S511 WeakPolarHBondContact O-CB 3.48Å; N507-S511 PolarHBondContact O-N 2.61Å; N507-S511 PolarHBondContact O-OG 2.97Å; E508-S511 PolarHBondContact O-N 2.97Å; S511-R513 PolarHBondContact O-N 3.08Å; S511-H514 WeakPolarHBondContact O-CB 3.21Å; S511-H514 PolarHBondContact O-N 2.62Å; S511-E515 PolarHBondContact O-N 3.26Å
512	W	98.1	Very high	96.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.8	-48.8	175.4	-176.9	32.5	0	0	0	111.7	I381 S384 L385 N388 V389 I395 V399 E508 L509 H514 I516 F567 L568 I571	I381-W512 HydrophobicContact CG2-CZ2 4.09Å; I381-W512 PolarHBondContact O-NE1 3.36Å; S384-W512 VanDerWaalsContact C-CD1 3.46Å; L385-W512 VanDerWaalsContact CA-NE1 3.33Å; L385-W512 HydrophobicContact CB-CZ2 3.89Å; L385-W512 HydrophobicContact CD1-CD2 4.03Å; L385-W512 HydrophobicContact CD1-CE3 4.07Å; L385-W512 HydrophobicContact CD1-CH2 3.84Å; L385-W512 HydrophobicContact CD1-CZ2 3.76Å; L385-W512 HydrophobicContact CD1-CZ3 3.98Å; L385-W512 HydrophobicContact CG-CZ2 4.33Å; L385-W512 VanDerWaalsContact N-NE1 3.13Å; N388-W512 HydrophobicContact CB-CB 3.89Å; V389-W512 HydrophobicContact CG2-CB 3.78Å; V389-W512 HydrophobicContact CG2-CD2 4.07Å; V389-W512 HydrophobicContact CG2-CE3 4.07Å; V389-W512 HydrophobicContact CG2-CG 3.96Å; I395-W512 HydrophobicContact CG2-CZ3 3.79Å; V399-W512 HydrophobicContact CG2-CH2 4.34Å; E508-W512 WeakPolarHBondContact O-CB 3.49Å; E508-W512 PolarHBondContact O-N 2.98Å; L509-W512 HydrophobicContact CD1-CE3 4.21Å; W512-H514 VanDerWaalsContact C-N 3.29Å; W512-H514 PolarHBondContact O-N 3.11Å; W512-I516 HydrophobicContact CD2-CD1 4.37Å; W512-I516 HydrophobicContact CG-CD1 4.28Å; W512-I516 HydrophobicContact CZ2-CD1 4.36Å; W512-I516 VanDerWaalsContact NE1-CD1 3.31Å; W512-I516 WeakPolarHBondContact O-CG1 3.26Å; W512-I516 PolarHBondContact O-N 3.43Å; W512-F567 HydrophobicContact CD2-CE1 4.06Å; W512-F567 HydrophobicContact CD2-CZ 4.09Å; W512-F567 AromaticContact CE3-CE1 3.59Å; W512-F567 HydrophobicContact CE3-CE1 3.59Å; W512-F567 HydrophobicContact CE3-CZ 4.09Å; W512-F567 AromaticContact CH2-CE1 3.98Å; W512-F567 HydrophobicContact CH2-CE1 3.98Å; W512-F567 HydrophobicContact CH2-CZ 4.23Å; W512-F567 HydrophobicContact CZ2-CE1 4.43Å; W512-F567 HydrophobicContact CZ2-CZ 4.25Å; W512-F567 HydrophobicContact CZ3-CD1 4.46Å; W512-F567 AromaticContact CZ3-CE1 3.54Å; W512-F567 HydrophobicContact CZ3-CE1 3.54Å; W512-F567 HydrophobicContact CZ3-CZ 4.15Å; W512-L568 HydrophobicContact CH2-CD2 4.18Å; W512-L568 HydrophobicContact CZ3-CD2 3.91Å; W512-I571 HydrophobicContact CH2-CD1 3.47Å; W512-I571 VanDerWaalsContact CH2-CD1 3.47Å; W512-I571 HydrophobicContact CZ2-CD1 3.53Å
513	R	98.1	Very high	96.6	Very high	18 Å²	18	44.2 Å²	44.2	7%	0.068	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-38.5	175.5	179.4	-96	172.4	-124	-7.7	111.9	L509 Q510 S511 A517 V530 P531 F556 L558	L509-R513 WeakPolarHBondContact O-CB 3.15Å; L509-R513 PolarHBondContact O-N 3.39Å; L509-R513 VanDerWaalsContact O-N 3.11Å; Q510-R513 PolarHBondContact O-N 3.45Å; S511-R513 PolarHBondContact O-N 3.08Å; R513-A517 WeakPolarHBondContact O-CB 3.49Å; R513-A517 PolarHBondContact O-N 2.97Å; R513-V530 HydrophobicContact CG-CG1 3.9Å; R513-V530 PolarHBondContact NH2-O 3.19Å; R513-P531 PolarHBondContact NE-O 3.2Å; R513-F556 VanDerWaalsContact NH2-CE1 3.33Å; R513-L558 HydrophobicContact CB-CD1 3.93Å; R513-L558 HydrophobicContact CB-CG 4.24Å; R513-L558 HydrophobicContact CG-CD1 4.08Å; R513-L558 HydrophobicContact CG-CD2 4.37Å; R513-L558 HydrophobicContact CG-CG 3.93Å
514	H	97.9	Very high	96.5	Very high	114 Å²	114	44.3 Å²	44.3	53%	0.528	24%	0.24	S	C	.	.	H	α-helix	trans	-63.4	-53.4	179	-178.3	80.6	0	0	0	111.2	Q510 S511 W512 I516 A517 S518	Q510-H514 VanDerWaalsContact O-CB 3.26Å; Q510-H514 WeakPolarHBondContact O-CB 3.42Å; Q510-H514 PolarHBondContact O-N 2.89Å; S511-H514 WeakPolarHBondContact O-CB 3.21Å; S511-H514 PolarHBondContact O-N 2.62Å; W512-H514 VanDerWaalsContact C-N 3.29Å; W512-H514 PolarHBondContact O-N 3.11Å; H514-I516 VanDerWaalsContact C-N 3.27Å; H514-I516 PolarHBondContact O-N 2.96Å; H514-A517 PolarHBondContact O-N 3.3Å; H514-S518 PolarHBondContact CD2-OG 3.34Å; H514-S518 PolarHBondContact CE1-OG 3Å; H514-S518 PolarHBondContact NE2-OG 3.36Å; H514-S518 WeakPolarHBondContact O-CB 3.44Å; H514-S518 PolarHBondContact O-N 3.31Å; H514-S518 PolarHBondContact O-OG 2.67Å
515	E	97.6	Very high	96.6	Very high	20 Å²	20	43.7 Å²	43.7	9%	0.093	24%	0.236	C	C	.	.	H	α-helix	trans	-59.3	-38.1	-179.5	-168.3	-179.2	-129.9	0	0	111.7	S384 R387 N388 S511 A517 G524 L525	S384-E515 VanDerWaalsContact CA-OE2 3.25Å; S384-E515 WeakPolarHBondContact CA-OE2 3.35Å; S384-E515 WeakPolarHBondContact CB-OE2 3.37Å; S384-E515 PolarHBondContact OG-OE2 2.92Å; R387-E515 IonicContact CZ-OE1 3.5Å; R387-E515 IonicContact NE-OE1 3.91Å; R387-E515 PolarHBondContact NE-OE1 2.86Å; R387-E515 IonicContact NE-OE2 3.81Å; R387-E515 IonicContact NH2-OE1 3.81Å; R387-E515 PolarHBondContact NH2-OE1 3.29Å; N388-E515 PolarHBondContact ND2-OE2 3.26Å; S511-E515 PolarHBondContact O-N 3.26Å; E515-A517 PolarHBondContact O-N 3.35Å; E515-G524 CarbonylContact O-C 3.42Å; E515-G524 WeakPolarHBondContact O-CA 3.44Å; E515-L525 PolarHBondContact O-N 2.79Å
516	I	98.5	Very high	96.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.9	-42.9	175.2	-68.2	168	0	0	0	112.4	I381 W512 H514 L525 L527 V530 F567	I381-I516 HydrophobicContact CG1-CD1 4.37Å; I381-I516 HydrophobicContact CG2-CD1 4.19Å; W512-I516 HydrophobicContact CD2-CD1 4.37Å; W512-I516 HydrophobicContact CG-CD1 4.28Å; W512-I516 HydrophobicContact CZ2-CD1 4.36Å; W512-I516 VanDerWaalsContact NE1-CD1 3.31Å; W512-I516 WeakPolarHBondContact O-CG1 3.26Å; W512-I516 PolarHBondContact O-N 3.43Å; H514-I516 VanDerWaalsContact C-N 3.27Å; H514-I516 PolarHBondContact O-N 2.96Å; I516-L525 HydrophobicContact CB-CD1 4.21Å; I516-L525 HydrophobicContact CG1-CD1 3.71Å; I516-L525 HydrophobicContact CG1-CG 4.49Å; I516-L525 HydrophobicContact CG2-CD1 4.39Å; I516-L527 HydrophobicContact CG2-CB 4.08Å; I516-L527 HydrophobicContact CG2-CD1 3.69Å; I516-L527 HydrophobicContact CG2-CG 4.1Å; I516-L527 WeakPolarHBondContact O-CB 3.33Å; I516-L527 PolarHBondContact O-N 2.95Å; I516-L527 VanDerWaalsContact O-N 3.15Å; I516-V530 HydrophobicContact CG2-CG1 4.42Å; I516-V530 HydrophobicContact CG2-CG2 3.77Å; I516-F567 HydrophobicContact CD1-CE2 3.88Å; I516-F567 HydrophobicContact CD1-CZ 3.56Å
517	A	98.1	Very high	96.7	Very high	25 Å²	25	40.5 Å²	40.5	21%	0.207	23%	0.227	C	C	.	.	H	α-helix	trans	-85.8	-25	-173.5	0	0	0	0	0	114	R513 H514 E515 V530	R513-A517 WeakPolarHBondContact O-CB 3.49Å; R513-A517 PolarHBondContact O-N 2.97Å; H514-A517 PolarHBondContact O-N 3.3Å; E515-A517 PolarHBondContact O-N 3.35Å; A517-V530 HydrophobicContact CB-CB 3.97Å; A517-V530 HydrophobicContact CB-CG1 4.42Å; A517-V530 HydrophobicContact CB-CG2 4.04Å
518	S	97.6	Very high	96.8	Very high	12 Å²	12	39.8 Å²	39.8	8%	0.084	23%	0.226	C	C	.	.	S	Bend	trans	-66.7	146.8	-175	-70.6	0	0	0	0	111.8	H514 G524 L525 G526	H514-S518 PolarHBondContact CD2-OG 3.34Å; H514-S518 PolarHBondContact CE1-OG 3Å; H514-S518 PolarHBondContact NE2-OG 3.36Å; H514-S518 WeakPolarHBondContact O-CB 3.44Å; H514-S518 PolarHBondContact O-N 3.31Å; H514-S518 PolarHBondContact O-OG 2.67Å; S518-G524 CarbonylContact O-C 3.59Å; S518-G524 WeakPolarHBondContact O-CA 3.36Å; S518-L525 PolarHBondContact O-N 3.29Å; S518-G526 VanDerWaalsContact O-CA 3.27Å; S518-G526 WeakPolarHBondContact O-CA 3.1Å; S518-G526 PolarHBondContact O-N 3.38Å
519	P	96.4	Very high	96.8	Very high	53 Å²	53	40.3 Å²	40.3	34%	0.344	24%	0.235	S	C	.	.			trans	-54.1	147.7	177.3	-25.1	34.1	0	0	0	113.1	E521 E522 G524	P519-E521 PolarHBondContact O-N 2.95Å; P519-E522 HydrophobicContact CB-CG 4.33Å; P519-E522 WeakPolarHBondContact CD-OE2 3.48Å; P519-E522 HydrophobicContact CG-CG 4.48Å; P519-E522 PolarHBondContact O-N 3.24Å; P519-G524 PolarHBondContact O-N 2.95Å
520	M	95.1	Very high	96.8	Very high	43 Å²	43	40.8 Å²	40.8	21%	0.212	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-62.9	-30.3	178.2	-66.8	179.5	-72	0	0	112.4	Q162 V169 F442 E522 G523 G524	Q162-M520 PolarHBondContact NE2-SD 3.27Å; V169-M520 HydrophobicContact CG1-CB 4.39Å; V169-M520 HydrophobicContact CG1-CG 3.92Å; V169-M520 HydrophobicContact CG1-SD 4.02Å; F442-M520 HydrophobicContact CE1-CE 3.88Å; F442-M520 HydrophobicContact CE1-SD 3.91Å; F442-M520 HydrophobicContact CZ-SD 4.49Å; M520-E522 PolarHBondContact O-N 3.18Å; M520-G523 PolarHBondContact O-N 3.11Å; M520-G524 WeakPolarHBondContact CA-O 3.12Å
521	E	92	Very high	96.8	Very high	154 Å²	154	40.7 Å²	40.7	72%	0.72	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-67.4	-20.5	176.4	-63.2	78.4	-172	0	0	113.1	P519	P519-E521 PolarHBondContact O-N 2.95Å
522	E	93.3	Very high	96.7	Very high	151 Å²	151	39.4 Å²	39.4	71%	0.706	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-101.2	8.6	179.1	-64	174.9	-168.5	0	0	112	P519 M520	P519-E522 HydrophobicContact CB-CG 4.33Å; P519-E522 WeakPolarHBondContact CD-OE2 3.48Å; P519-E522 HydrophobicContact CG-CG 4.48Å; P519-E522 PolarHBondContact O-N 3.24Å; M520-E522 PolarHBondContact O-N 3.18Å
523	G	91.1	Very high	96.5	Very high	50 Å²	50	41.3 Å²	41.3	52%	0.515	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	3.6	-178.7	0	0	0	0	0	115	M520	M520-G523 PolarHBondContact O-N 3.11Å
524	G	95.9	Very high	96.3	Very high	3 Å²	3	44.1 Å²	44.1	3%	0.031	27%	0.267	C	S	.	.	S	Bend	trans	-84.3	-173.4	173.2	0	0	0	0	0	114	E515 S518 P519 M520	E515-G524 CarbonylContact O-C 3.42Å; E515-G524 WeakPolarHBondContact O-CA 3.44Å; S518-G524 CarbonylContact O-C 3.59Å; S518-G524 WeakPolarHBondContact O-CA 3.36Å; P519-G524 PolarHBondContact O-N 2.95Å; M520-G524 WeakPolarHBondContact CA-O 3.12Å
525	L	97.9	Very high	96	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	25%	0.253	C	S	.	.			trans	-91.8	-13.7	179.4	-45.2	-173.5	0	0	0	113.5	L160 V169 S380 I381 E515 I516 S518 L527	L160-L525 HydrophobicContact CD1-CD2 3.62Å; V169-L525 HydrophobicContact CG2-CB 4.09Å; V169-L525 HydrophobicContact CG2-CD2 3.53Å; V169-L525 HydrophobicContact CG2-CG 4.35Å; S380-L525 WeakPolarHBondContact O-CD1 3.46Å; I381-L525 HydrophobicContact CG1-CD1 4.31Å; E515-L525 PolarHBondContact O-N 2.79Å; I516-L525 HydrophobicContact CB-CD1 4.21Å; I516-L525 HydrophobicContact CG1-CD1 3.71Å; I516-L525 HydrophobicContact CG1-CG 4.49Å; I516-L525 HydrophobicContact CG2-CD1 4.39Å; S518-L525 PolarHBondContact O-N 3.29Å; L525-L527 VanDerWaalsContact C-N 3.34Å; L525-L527 HydrophobicContact CB-CG 4.29Å; L525-L527 PolarHBondContact O-N 3.5Å
526	G	97.3	Very high	95.5	Very high	21 Å²	21	46.4 Å²	46.4	22%	0.216	28%	0.277	C	S	.	.			trans	71.4	21.2	178.8	0	0	0	0	0	114.9	S518 V528	S518-G526 VanDerWaalsContact O-CA 3.27Å; S518-G526 WeakPolarHBondContact O-CA 3.1Å; S518-G526 PolarHBondContact O-N 3.38Å; G526-V528 PolarHBondContact O-N 2.63Å
527	L	98.2	Very high	94.6	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	29%	0.288	C	S	.	.			trans	-77.3	121.2	178.3	-57.6	-167	0	0	0	110.5	I377 I381 F442 W445 F447 I516 L525 V530	I377-L527 HydrophobicContact CG2-CD1 3.95Å; I377-L527 HydrophobicContact CG2-CD2 4.44Å; I381-L527 HydrophobicContact CD1-CD1 3.93Å; I381-L527 HydrophobicContact CG1-CD1 4.09Å; F442-L527 HydrophobicContact CE2-CD2 3.62Å; F442-L527 HydrophobicContact CZ-CD2 3.97Å; W445-L527 HydrophobicContact CE3-CD2 4.3Å; W445-L527 HydrophobicContact CH2-CD1 4.42Å; W445-L527 HydrophobicContact CZ3-CB 4.36Å; W445-L527 HydrophobicContact CZ3-CD1 4.12Å; W445-L527 HydrophobicContact CZ3-CD2 4.02Å; W445-L527 HydrophobicContact CZ3-CG 4.4Å; F447-L527 HydrophobicContact CD2-CD1 4.32Å; I516-L527 HydrophobicContact CG2-CB 4.08Å; I516-L527 HydrophobicContact CG2-CD1 3.69Å; I516-L527 HydrophobicContact CG2-CG 4.1Å; I516-L527 WeakPolarHBondContact O-CB 3.33Å; I516-L527 PolarHBondContact O-N 2.95Å; I516-L527 VanDerWaalsContact O-N 3.15Å; L525-L527 VanDerWaalsContact C-N 3.34Å; L525-L527 HydrophobicContact CB-CG 4.29Å; L525-L527 PolarHBondContact O-N 3.5Å; L527-V530 HydrophobicContact CB-CG2 3.87Å; L527-V530 WeakPolarHBondContact O-CG2 3.3Å
528	V	97.7	Very high	93.3	Very high	73 Å²	73	56.7 Å²	56.7	44%	0.442	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	148.9	177	-64.2	0	0	0	0	111.3	W445 R446 F447 G526	W445-V528 WeakPolarHBondContact O-CG2 3.36Å; R446-V528 HydrophobicContact CB-CG2 4.14Å; R446-V528 HydrophobicContact CG-CG2 3.76Å; F447-V528 WeakPolarHBondContact CB-O 3.4Å; F447-V528 PolarHBondContact N-O 2.81Å; G526-V528 PolarHBondContact O-N 2.63Å
529	G	97.8	Very high	91.5	Very high	24 Å²	24	59.5 Å²	59.5	25%	0.247	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	17.4	178.1	0	0	0	0	0	114.4	D448	D448-G529 VanDerWaalsContact CB-O 3.32Å; D448-G529 WeakPolarHBondContact CB-O 3.32Å; D448-G529 PolarHBondContact N-O 2.97Å
530	V	98.3	Very high	89.4	Confident	11 Å²	11	63.7 Å²	63.7	7%	0.067	35%	0.35	C	S	.	.			trans	-66.9	128.9	174.2	-178	0	0	0	0	109	F447 R513 I516 A517 L527 F567	F447-V530 HydrophobicContact CB-CG2 4.2Å; F447-V530 HydrophobicContact CD2-CG2 4.44Å; F447-V530 HydrophobicContact CG-CG2 4.32Å; R513-V530 HydrophobicContact CG-CG1 3.9Å; R513-V530 PolarHBondContact NH2-O 3.19Å; I516-V530 HydrophobicContact CG2-CG1 4.42Å; I516-V530 HydrophobicContact CG2-CG2 3.77Å; A517-V530 HydrophobicContact CB-CB 3.97Å; A517-V530 HydrophobicContact CB-CG1 4.42Å; A517-V530 HydrophobicContact CB-CG2 4.04Å; L527-V530 HydrophobicContact CB-CG2 3.87Å; L527-V530 WeakPolarHBondContact O-CG2 3.3Å; V530-F567 HydrophobicContact CG1-CD2 3.94Å; V530-F567 HydrophobicContact CG1-CE2 3.93Å
531	P	97.8	Very high	87.2	Confident	25 Å²	25	66.4 Å²	66.4	16%	0.162	37%	0.373	C	S	.	.	S	Bend	trans	-50.9	147.2	-178.2	-30	36.6	0	0	0	113.9	F447 R513 L558 K566 F567	F447-P531 HydrophobicContact CD1-CG 4.46Å; F447-P531 HydrophobicContact CE1-CG 4.33Å; R513-P531 PolarHBondContact NE-O 3.2Å; P531-L558 HydrophobicContact CB-CD2 4.05Å; P531-L558 WeakPolarHBondContact O-CD2 3.32Å; P531-K566 HydrophobicContact CG-CB 4.18Å; P531-F567 HydrophobicContact CB-CB 4.21Å; P531-F567 HydrophobicContact CG-CB 4.08Å
532	G	95.1	Very high	84.9	Confident	25 Å²	25	62.9 Å²	62.9	26%	0.258	38%	0.378	S	S	.	.			trans	153.5	157	178.4	0	0	0	0	0	111.6	G557	G532-G557 CarbonylContact C-O 3.51Å; G532-G557 WeakPolarHBondContact CA-O 3.36Å
533	S	95.6	Very high	82.5	Confident	40 Å²	40	63 Å²	63	28%	0.28	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	171.5	179.3	56.3	0	0	0	0	110.7	F556 G557 N559 E563	S533-F556 VanDerWaalsContact C-CD2 3.48Å; S533-F556 WeakPolarHBondContact O-CA 3.41Å; S533-F556 WeakPolarHBondContact O-CD2 3.5Å; S533-G557 PolarHBondContact N-O 2.85Å; S533-G557 PolarHBondContact O-N 3.1Å; S533-G557 VanDerWaalsContact O-N 3.08Å; S533-N559 PolarHBondContact O-ND2 3.47Å; S533-N559 PolarHBondContact OG-ND2 2.99Å; S533-E563 WeakPolarHBondContact CB-OE1 3.43Å; S533-E563 PolarHBondContact OG-OE1 3.1Å
534	T	93.8	Very high	80.2	Confident	76 Å²	76	69.4 Å²	69.4	47%	0.466	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	131.9	171.7	-54.6	0	0	0	0	109.6	E554 I555	T534-E554 HydrophobicContact CG2-CB 3.9Å; T534-E554 HydrophobicContact CG2-CG 4.13Å; T534-I555 CarbonylContact C-O 3.58Å; T534-I555 WeakPolarHBondContact CA-O 3.38Å
535	I	90.1	Very high	77.6	Confident	45 Å²	45	76.7 Å²	76.7	23%	0.231	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	145.3	169.3	-166	166	0	0	0	110.4	T500 I504 E554 I555 N559	T500-I535 HydrophobicContact CG2-CD1 3.74Å; I504-I535 HydrophobicContact CG2-CG2 4.34Å; I535-E554 WeakPolarHBondContact O-CA 3.46Å; I535-I555 HydrophobicContact CG2-CB 4.19Å; I535-I555 PolarHBondContact N-O 3.27Å; I535-I555 PolarHBondContact O-N 2.92Å; I535-N559 WeakPolarHBondContact CG2-OD1 3.31Å
536	K	87.2	Confident	75	Confident	137 Å²	137	81.5 Å²	81.5	60%	0.596	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	112	175.6	-76.2	-178.1	-174.8	-144.9	0	109.6	T552 E554	K536-T552 HydrophobicContact CB-CG2 3.62Å; K536-T552 HydrophobicContact CD-CG2 4.1Å; K536-T552 HydrophobicContact CG-CG2 3.89Å; K536-E554 WeakPolarHBondContact CE-OE1 3.45Å; K536-E554 HydrophobicContact CG-CG 3.87Å; K536-E554 IonicContact NZ-OE1 2.81Å; K536-E554 PolarHBondContact NZ-OE1 3.07Å
537	L	81.2	Confident	72.4	Confident	43 Å²	43	89.2 Å²	89.2	23%	0.225	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	132.1	173.7	-67	176.2	0	0	0	110	I504 T552 E553 I555	I504-L537 HydrophobicContact CD1-CD1 4.08Å; I504-L537 HydrophobicContact CD1-CD2 3.78Å; I504-L537 HydrophobicContact CD1-CG 4.49Å; L537-T552 WeakPolarHBondContact O-CA 3.37Å; L537-E553 PolarHBondContact N-O 3.22Å; L537-E553 PolarHBondContact O-N 3.29Å; L537-E553 VanDerWaalsContact O-N 3.15Å; L537-I555 HydrophobicContact CD1-CD1 3.42Å; L537-I555 VanDerWaalsContact CD1-CD1 3.42Å; L537-I555 HydrophobicContact CD1-CG1 4.18Å; L537-I555 HydrophobicContact CG-CD1 4.47Å
538	R	70.6	Confident	69.9	Low	198 Å²	198	96.3 Å²	96.3	75%	0.747	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	107.5	167.6	-72.6	-175	177.3	179.7	-0.1	107.7	N540	R538-N540 PolarHBondContact O-N 2.8Å
539	T	59.3	Low	67.6	Low	71 Å²	71	99.7 Å²	99.7	44%	0.436	55%	0.553	S	S	.	*			trans	-82.1	111.6	167.6	46.8	0	0	0	0	107.8	S541 V551	T539-S541 PolarHBondContact O-N 3.16Å; T539-S541 VanDerWaalsContact O-N 3.11Å; T539-V551 PolarHBondContact OG1-O 3.22Å
540	N	52.9	Low	65.7	Low	141 Å²	141	103.5 Å²	103.5	75%	0.754	57%	0.568	S	S	*	*			trans	-73.3	99.7	163.5	-80.9	-9.5	0	0	0	106.1	R538 G542	R538-N540 PolarHBondContact O-N 2.8Å; N540-G542 VanDerWaalsContact C-N 3.31Å; N540-G542 PolarHBondContact O-N 2.86Å
541	S	47.8	Very low	63.9	Low	101 Å²	101	108 Å²	108	71%	0.706	60%	0.595	S	S	*	*			trans	-64.5	99.1	167.4	50.4	0	0	0	0	107.7	T539 L543	T539-S541 PolarHBondContact O-N 3.16Å; T539-S541 VanDerWaalsContact O-N 3.11Å; S541-L543 PolarHBondContact O-N 2.81Å
542	G	43.9	Very low	62.5	Low	79 Å²	79	110 Å²	110	81%	0.814	61%	0.607	S	S	*	*			trans	-70	65.9	175.2	0	0	0	0	0	111.8	N540	N540-G542 VanDerWaalsContact C-N 3.31Å; N540-G542 PolarHBondContact O-N 2.86Å
543	L	44	Very low	61.8	Low	153 Å²	153	114 Å²	114	80%	0.801	62%	0.619	S	S	*	*			trans	-117.6	103.5	152.4	-109.3	91.9	0	0	0	107.4	S541 N545	S541-L543 PolarHBondContact O-N 2.81Å; L543-N545 PolarHBondContact O-N 2.96Å
544	E	41.9	Very low	61.3	Low	186 Å²	186	117.7 Å²	117.7	87%	0.869	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.8	122.1	163.4	-70.2	178.3	154.3	0	0	108.3
545	N	41.4	Very low	61	Low	155 Å²	155	116.2 Å²	116.2	83%	0.829	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	101.4	37.4	169.7	-53.6	-39.4	0	0	0	120.4	L543	L543-N545 PolarHBondContact O-N 2.96Å
546	C	43.1	Very low	61.1	Low	102 Å²	102	119.6 Å²	119.6	69%	0.689	63%	0.634	S	S	*	*			trans	-142.8	128.2	152.6	-84.3	0	0	0	0	112.3	H548	C546-H548 VanDerWaalsContact C-N 3.32Å; C546-H548 PolarHBondContact O-N 2.91Å
547	L	42.3	Very low	61.5	Low	183 Å²	183	113.1 Å²	113.1	96%	0.958	61%	0.606	S	S	*	*			trans	-64.9	86	166.1	-73.7	148.5	0	0	0	109.1
548	H	46.3	Very low	62.3	Low	155 Å²	155	111.1 Å²	111.1	72%	0.718	60%	0.596	S	S	*	*			trans	-135.9	139.7	172	-86.8	-61.7	0	0	0	112	C546	C546-H548 VanDerWaalsContact C-N 3.32Å; C546-H548 PolarHBondContact O-N 2.91Å
549	D	50.2	Low	63.6	Low	144 Å²	144	101.8 Å²	101.8	77%	0.77	56%	0.561	S	S	*	*			trans	-47.1	134.6	-170.9	-67	-52.4	0	0	0	113.6	V551	D549-V551 PolarHBondContact O-N 3.48Å
550	N	56.4	Low	65.4	Low	104 Å²	104	100.4 Å²	100.4	56%	0.556	55%	0.552	S	S	*	*			trans	-57.5	98.8	167.9	-71.4	-30.3	0	0	0	109	T552	N550-T552 PolarHBondContact O-N 3.24Å; N550-T552 VanDerWaalsContact O-N 3.08Å; N550-T552 PolarHBondContact O-OG1 2.88Å
551	V	60.3	Low	67.6	Low	104 Å²	104	94.1 Å²	94.1	63%	0.63	52%	0.519	S	S	*	.			trans	-67.1	111.3	172.4	-178.9	0	0	0	0	106.9	T539 D549	T539-V551 PolarHBondContact OG1-O 3.22Å; D549-V551 PolarHBondContact O-N 3.48Å
552	T	69.1	Low	69.9	Low	68 Å²	68	93.4 Å²	93.4	42%	0.417	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	111.1	177.1	-47.4	0	0	0	0	107.3	K536 L537 N550	K536-T552 HydrophobicContact CB-CG2 3.62Å; K536-T552 HydrophobicContact CD-CG2 4.1Å; K536-T552 HydrophobicContact CG-CG2 3.89Å; L537-T552 WeakPolarHBondContact O-CA 3.37Å; N550-T552 PolarHBondContact O-N 3.24Å; N550-T552 VanDerWaalsContact O-N 3.08Å; N550-T552 PolarHBondContact O-OG1 2.88Å
553	E	80.9	Confident	72.5	Confident	108 Å²	108	90.9 Å²	90.9	51%	0.505	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	129.9	174.7	-169.6	173.1	-179	0	0	109.1	L537 I555	L537-E553 PolarHBondContact N-O 3.22Å; L537-E553 PolarHBondContact O-N 3.29Å; L537-E553 VanDerWaalsContact O-N 3.15Å; E553-I555 HydrophobicContact CG-CG1 4.31Å
554	E	85.6	Confident	75.1	Confident	119 Å²	119	83.6 Å²	83.6	56%	0.556	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	116.6	174.7	-76.2	-175.2	-173.5	0	0	109.1	T534 I535 K536	T534-E554 HydrophobicContact CG2-CB 3.9Å; T534-E554 HydrophobicContact CG2-CG 4.13Å; I535-E554 WeakPolarHBondContact O-CA 3.46Å; K536-E554 WeakPolarHBondContact CE-OE1 3.45Å; K536-E554 HydrophobicContact CG-CG 3.87Å; K536-E554 IonicContact NZ-OE1 2.81Å; K536-E554 PolarHBondContact NZ-OE1 3.07Å
555	I	85.9	Confident	77.8	Confident	45 Å²	45	75.2 Å²	75.2	23%	0.231	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.7	176.4	-57	-172.4	0	0	0	108.3	T534 I535 L537 E553	T534-I555 CarbonylContact C-O 3.58Å; T534-I555 WeakPolarHBondContact CA-O 3.38Å; I535-I555 HydrophobicContact CG2-CB 4.19Å; I535-I555 PolarHBondContact N-O 3.27Å; I535-I555 PolarHBondContact O-N 2.92Å; L537-I555 HydrophobicContact CD1-CD1 3.42Å; L537-I555 VanDerWaalsContact CD1-CD1 3.42Å; L537-I555 HydrophobicContact CD1-CG1 4.18Å; L537-I555 HydrophobicContact CG-CD1 4.47Å; E553-I555 HydrophobicContact CG-CG1 4.31Å
556	F	93.1	Very high	80.6	Confident	116 Å²	116	73.6 Å²	73.6	51%	0.509	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.5	173.2	-178.8	-96.7	0	0	0	110.5	R513 S533	R513-F556 VanDerWaalsContact NH2-CE1 3.33Å; S533-F556 VanDerWaalsContact C-CD2 3.48Å; S533-F556 WeakPolarHBondContact O-CA 3.41Å; S533-F556 WeakPolarHBondContact O-CD2 3.5Å
557	G	96.4	Very high	83.2	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.01	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.8	-162.6	-175.1	0	0	0	0	0	112	Q510 G532 S533	Q510-G557 VanDerWaalsContact OE1-CA 3.23Å; G532-G557 CarbonylContact C-O 3.51Å; G532-G557 WeakPolarHBondContact CA-O 3.36Å; S533-G557 PolarHBondContact N-O 2.85Å; S533-G557 PolarHBondContact O-N 3.1Å; S533-G557 VanDerWaalsContact O-N 3.08Å
558	L	98.1	Very high	85.9	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.302	C	S	.	.			trans	-77.2	122.1	167.3	-62.5	169.2	0	0	0	107.3	I503 L509 Q510 R513 P531 E563 V564 F567	I503-L558 HydrophobicContact CG2-CB 4.28Å; I503-L558 VanDerWaalsContact CG2-O 3.23Å; I503-L558 WeakPolarHBondContact CG2-O 3.43Å; L509-L558 HydrophobicContact CD1-CD1 3.93Å; L509-L558 HydrophobicContact CD2-CD1 4.36Å; L509-L558 HydrophobicContact CG-CD1 3.93Å; Q510-L558 PolarHBondContact NE2-O 2.98Å; R513-L558 HydrophobicContact CB-CD1 3.93Å; R513-L558 HydrophobicContact CB-CG 4.24Å; R513-L558 HydrophobicContact CG-CD1 4.08Å; R513-L558 HydrophobicContact CG-CD2 4.37Å; R513-L558 HydrophobicContact CG-CG 3.93Å; P531-L558 HydrophobicContact CB-CD2 4.05Å; P531-L558 WeakPolarHBondContact O-CD2 3.32Å; L558-E563 HydrophobicContact CD2-CB 3.91Å; L558-V564 HydrophobicContact CB-CG2 4.04Å; L558-V564 HydrophobicContact CD1-CG2 4.27Å; L558-F567 HydrophobicContact CD1-CB 4.44Å; L558-F567 HydrophobicContact CD1-CD1 3.79Å; L558-F567 HydrophobicContact CD1-CE1 4.36Å; L558-F567 HydrophobicContact CD1-CG 4.26Å; L558-F567 HydrophobicContact CD2-CB 4.14Å
559	N	97	Very high	88.4	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.016	27%	0.267	C	S	.	.			trans	-116.7	-16.1	-175.6	-60.2	-44.1	0	0	0	112.8	T500 I504 S533 I535 E563	T500-N559 VanDerWaalsContact CA-O 3.24Å; T500-N559 WeakPolarHBondContact CA-O 3.27Å; T500-N559 WeakPolarHBondContact CB-O 3.05Å; T500-N559 WeakPolarHBondContact CG2-O 3.38Å; T500-N559 PolarHBondContact OG1-O 3.35Å; I504-N559 HydrophobicContact CG2-CB 4.25Å; S533-N559 PolarHBondContact O-ND2 3.47Å; S533-N559 PolarHBondContact OG-ND2 2.99Å; I535-N559 WeakPolarHBondContact CG2-OD1 3.31Å; N559-E563 WeakPolarHBondContact CA-OE2 3.35Å; N559-E563 PolarHBondContact N-OE2 3.14Å
560	T	97.1	Very high	90.7	Very high	42 Å²	42	45.8 Å²	45.8	26%	0.258	23%	0.231	S	C	.	.	S	Bend	trans	-132.2	155	-173.7	59.1	0	0	0	0	111.5	I503 E562 E563 V564	I503-T560 VanDerWaalsContact CD1-C 3.48Å; T560-E562 PolarHBondContact O-N 3.22Å; T560-E563 PolarHBondContact N-OE2 2.71Å; T560-E563 PolarHBondContact O-N 3.31Å; T560-E563 VanDerWaalsContact O-N 3.14Å; T560-E563 WeakPolarHBondContact OG1-CB 3.29Å; T560-E563 VanDerWaalsContact OG1-CD 3.28Å; T560-E563 WeakPolarHBondContact OG1-CG 2.82Å; T560-E563 PolarHBondContact OG1-N 3.41Å; T560-E563 PolarHBondContact OG1-OE2 3.3Å; T560-V564 WeakPolarHBondContact O-CG2 2.96Å; T560-V564 PolarHBondContact O-N 3.44Å; T560-V564 VanDerWaalsContact O-N 3.07Å
561	V	98.1	Very high	92.7	Very high	8 Å²	8	40.9 Å²	40.9	5%	0.048	21%	0.205	C	C	.	.	H	α-helix	trans	-55.6	-40.3	173.7	170.1	0	0	0	0	110.1	V492 R493 I503 E563 V564 V565	V492-V561 HydrophobicContact CB-CG1 4.45Å; V492-V561 HydrophobicContact CG1-CG1 3.89Å; R493-V561 HydrophobicContact CG-CG1 3.8Å; I503-V561 HydrophobicContact CD1-CB 4.32Å; I503-V561 HydrophobicContact CD1-CG2 3.71Å; I503-V561 VanDerWaalsContact CD1-N 3.34Å; V561-E563 PolarHBondContact O-N 3.21Å; V561-V564 PolarHBondContact O-N 2.89Å; V561-V565 HydrophobicContact CG1-CG2 4.18Å; V561-V565 WeakPolarHBondContact O-CB 3.22Å; V561-V565 VanDerWaalsContact O-CG2 3.24Å; V561-V565 WeakPolarHBondContact O-CG2 3.49Å; V561-V565 PolarHBondContact O-N 2.96Å
562	E	97.9	Very high	94.5	Very high	86 Å²	86	36 Å²	36	40%	0.402	18%	0.175	S	C	.	.	H	α-helix	trans	-65	-36.7	-179.7	-67.6	68.1	-150.5	0	0	112.5	R493 T560 K566	R493-E562 IonicContact CZ-OE1 3.79Å; R493-E562 IonicContact NH1-OE1 3.5Å; R493-E562 IonicContact NH2-OE1 2.88Å; R493-E562 PolarHBondContact NH2-OE1 3.01Å; T560-E562 PolarHBondContact O-N 3.22Å; E562-K566 WeakPolarHBondContact O-CB 3.42Å; E562-K566 VanDerWaalsContact O-CG 3.22Å; E562-K566 WeakPolarHBondContact O-CG 3.42Å; E562-K566 PolarHBondContact O-N 3.34Å
563	E	98.2	Very high	95.9	Very high	27 Å²	27	32.8 Å²	32.8	13%	0.126	16%	0.156	C	C	.	.	H	α-helix	trans	-69	-42	173.8	-74.8	165.8	151.9	0	0	112	S533 L558 N559 T560 V561 K566 F567	S533-E563 WeakPolarHBondContact CB-OE1 3.43Å; S533-E563 PolarHBondContact OG-OE1 3.1Å; L558-E563 HydrophobicContact CD2-CB 3.91Å; N559-E563 WeakPolarHBondContact CA-OE2 3.35Å; N559-E563 PolarHBondContact N-OE2 3.14Å; T560-E563 PolarHBondContact N-OE2 2.71Å; T560-E563 PolarHBondContact O-N 3.31Å; T560-E563 VanDerWaalsContact O-N 3.14Å; T560-E563 WeakPolarHBondContact OG1-CB 3.29Å; T560-E563 VanDerWaalsContact OG1-CD 3.28Å; T560-E563 WeakPolarHBondContact OG1-CG 2.82Å; T560-E563 PolarHBondContact OG1-N 3.41Å; T560-E563 PolarHBondContact OG1-OE2 3.3Å; V561-E563 PolarHBondContact O-N 3.21Å; E563-K566 PolarHBondContact O-N 2.89Å; E563-F567 WeakPolarHBondContact O-CB 3.36Å; E563-F567 PolarHBondContact O-N 3.46Å
564	V	98.7	Very high	96.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.4	-48.2	174.6	177.5	0	0	0	0	110	V492 I503 L509 L558 T560 V561 K566 F567 L568	V492-V564 HydrophobicContact CG1-CB 4.34Å; V492-V564 HydrophobicContact CG1-CG1 3.99Å; V492-V564 HydrophobicContact CG2-CG1 4.21Å; I503-V564 HydrophobicContact CD1-CG2 3.98Å; I503-V564 HydrophobicContact CG1-CG2 4.35Å; I503-V564 HydrophobicContact CG2-CG2 3.8Å; L509-V564 HydrophobicContact CD2-CG1 4.17Å; L509-V564 HydrophobicContact CD2-CG2 3.79Å; L558-V564 HydrophobicContact CB-CG2 4.04Å; L558-V564 HydrophobicContact CD1-CG2 4.27Å; T560-V564 WeakPolarHBondContact O-CG2 2.96Å; T560-V564 PolarHBondContact O-N 3.44Å; T560-V564 VanDerWaalsContact O-N 3.07Å; V561-V564 PolarHBondContact O-N 2.89Å; V564-K566 PolarHBondContact O-N 2.82Å; V564-F567 WeakPolarHBondContact O-CB 3.44Å; V564-F567 PolarHBondContact O-N 3.13Å; V564-L568 HydrophobicContact CG1-CD1 3.76Å; V564-L568 HydrophobicContact CG1-CG 4.3Å; V564-L568 VanDerWaalsContact O-CG 3.27Å; V564-L568 WeakPolarHBondContact O-CG 3.4Å; V564-L568 PolarHBondContact O-N 3.05Å
565	V	98.7	Very high	97.4	Very high	9 Å²	9	22.1 Å²	22.1	6%	0.055	11%	0.106	C	C	.	.	H	α-helix	trans	-59.7	-44.7	177.4	172.2	0	0	0	0	111.1	E485 T488 V492 V561 F567 L568 M569	E485-V565 HydrophobicContact CG-CG1 4.46Å; T488-V565 HydrophobicContact CG2-CG1 4.25Å; T488-V565 HydrophobicContact CG2-CG2 4.44Å; V492-V565 HydrophobicContact CB-CG2 4.16Å; V492-V565 HydrophobicContact CG1-CG2 4.5Å; V492-V565 HydrophobicContact CG2-CG2 4.11Å; V561-V565 HydrophobicContact CG1-CG2 4.18Å; V561-V565 WeakPolarHBondContact O-CB 3.22Å; V561-V565 VanDerWaalsContact O-CG2 3.24Å; V561-V565 WeakPolarHBondContact O-CG2 3.49Å; V561-V565 PolarHBondContact O-N 2.96Å; V565-F567 VanDerWaalsContact C-N 3.32Å; V565-F567 PolarHBondContact O-N 3.17Å; V565-L568 PolarHBondContact O-N 2.83Å; V565-M569 HydrophobicContact CG1-CG 4.04Å; V565-M569 WeakPolarHBondContact O-CB 3.38Å; V565-M569 VanDerWaalsContact O-CG 3.25Å; V565-M569 WeakPolarHBondContact O-CG 3.39Å; V565-M569 PolarHBondContact O-N 3.32Å
566	K	98.5	Very high	97.9	Very high	121 Å²	121	20 Å²	20	53%	0.526	10%	0.095	S	C	.	.	H	α-helix	trans	-60.5	-41.5	176.2	-76.9	168.5	-175.4	170.1	0	112.5	P531 E562 E563 V564 G570	P531-K566 HydrophobicContact CG-CB 4.18Å; E562-K566 WeakPolarHBondContact O-CB 3.42Å; E562-K566 VanDerWaalsContact O-CG 3.22Å; E562-K566 WeakPolarHBondContact O-CG 3.42Å; E562-K566 PolarHBondContact O-N 3.34Å; E563-K566 PolarHBondContact O-N 2.89Å; V564-K566 PolarHBondContact O-N 2.82Å; K566-G570 PolarHBondContact O-N 3.16Å; K566-G570 VanDerWaalsContact O-N 3.13Å
567	F	98.7	Very high	98.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.5	-48.7	178.3	172.8	-120.7	0	0	0	111.2	F447 W512 I516 V530 P531 L558 E563 V564 V565 G570 I571	F447-F567 HydrophobicContact CE1-CD2 4.31Å; F447-F567 HydrophobicContact CZ-CD2 4.02Å; F447-F567 HydrophobicContact CZ-CE2 4.38Å; F447-F567 WeakPolarHBondContact CZ-O 3.46Å; W512-F567 HydrophobicContact CD2-CE1 4.06Å; W512-F567 HydrophobicContact CD2-CZ 4.09Å; W512-F567 AromaticContact CE3-CE1 3.59Å; W512-F567 HydrophobicContact CE3-CE1 3.59Å; W512-F567 HydrophobicContact CE3-CZ 4.09Å; W512-F567 AromaticContact CH2-CE1 3.98Å; W512-F567 HydrophobicContact CH2-CE1 3.98Å; W512-F567 HydrophobicContact CH2-CZ 4.23Å; W512-F567 HydrophobicContact CZ2-CE1 4.43Å; W512-F567 HydrophobicContact CZ2-CZ 4.25Å; W512-F567 HydrophobicContact CZ3-CD1 4.46Å; W512-F567 AromaticContact CZ3-CE1 3.54Å; W512-F567 HydrophobicContact CZ3-CE1 3.54Å; W512-F567 HydrophobicContact CZ3-CZ 4.15Å; I516-F567 HydrophobicContact CD1-CE2 3.88Å; I516-F567 HydrophobicContact CD1-CZ 3.56Å; V530-F567 HydrophobicContact CG1-CD2 3.94Å; V530-F567 HydrophobicContact CG1-CE2 3.93Å; P531-F567 HydrophobicContact CB-CB 4.21Å; P531-F567 HydrophobicContact CG-CB 4.08Å; L558-F567 HydrophobicContact CD1-CB 4.44Å; L558-F567 HydrophobicContact CD1-CD1 3.79Å; L558-F567 HydrophobicContact CD1-CE1 4.36Å; L558-F567 HydrophobicContact CD1-CG 4.26Å; L558-F567 HydrophobicContact CD2-CB 4.14Å; E563-F567 WeakPolarHBondContact O-CB 3.36Å; E563-F567 PolarHBondContact O-N 3.46Å; V564-F567 WeakPolarHBondContact O-CB 3.44Å; V564-F567 PolarHBondContact O-N 3.13Å; V565-F567 VanDerWaalsContact C-N 3.32Å; V565-F567 PolarHBondContact O-N 3.17Å; F567-G570 PolarHBondContact O-N 3.15Å; F567-I571 HydrophobicContact CE1-CD1 4.34Å; F567-I571 HydrophobicContact CE2-CD1 4.1Å; F567-I571 HydrophobicContact CZ-CD1 3.93Å; F567-I571 PolarHBondContact O-N 2.98Å
568	L	98.8	Very high	98.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-66.4	-43.7	178.5	-61.7	172.3	0	0	0	112.3	I395 L398 V399 T488 V492 W512 V564 V565 G570 I571 L572	I395-L568 HydrophobicContact CD1-CD1 3.74Å; I395-L568 HydrophobicContact CG2-CD1 4.24Å; I395-L568 HydrophobicContact CG2-CD2 3.47Å; I395-L568 VanDerWaalsContact CG2-CD2 3.47Å; I395-L568 HydrophobicContact CG2-CG 4.48Å; L398-L568 HydrophobicContact CD2-CD1 4.11Å; V399-L568 HydrophobicContact CG1-CD2 3.9Å; T488-L568 HydrophobicContact CG2-CB 4.05Å; T488-L568 HydrophobicContact CG2-CD1 4.21Å; V492-L568 HydrophobicContact CG2-CD1 3.76Å; W512-L568 HydrophobicContact CH2-CD2 4.18Å; W512-L568 HydrophobicContact CZ3-CD2 3.91Å; V564-L568 HydrophobicContact CG1-CD1 3.76Å; V564-L568 HydrophobicContact CG1-CG 4.3Å; V564-L568 VanDerWaalsContact O-CG 3.27Å; V564-L568 WeakPolarHBondContact O-CG 3.4Å; V564-L568 PolarHBondContact O-N 3.05Å; V565-L568 PolarHBondContact O-N 2.83Å; L568-G570 PolarHBondContact O-N 3.06Å; L568-I571 PolarHBondContact O-N 3.42Å; L568-L572 WeakPolarHBondContact O-CG 3.25Å; L568-L572 PolarHBondContact O-N 3.33Å
569	M	98.6	Very high	98.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.3	-31.8	177.6	-79.3	-56	-59.9	0	0	112.3	Y481 L484 E485 T488 V565 L572 Y573	Y481-M569 HydrophobicContact CD1-CE 3.91Å; Y481-M569 HydrophobicContact CD2-CE 3.71Å; Y481-M569 HydrophobicContact CE1-CE 3.75Å; Y481-M569 HydrophobicContact CE2-CB 4.46Å; Y481-M569 HydrophobicContact CE2-CE 3.57Å; Y481-M569 HydrophobicContact CG-CE 3.89Å; Y481-M569 WeakPolarHBondContact O-CE 3.42Å; L484-M569 HydrophobicContact CB-CE 3.71Å; L484-M569 HydrophobicContact CB-SD 4Å; E485-M569 VanDerWaalsContact CA-SD 3.55Å; E485-M569 HydrophobicContact CB-CE 4Å; E485-M569 HydrophobicContact CB-CG 4.42Å; E485-M569 HydrophobicContact CB-SD 4.13Å; E485-M569 HydrophobicContact CG-CG 4.5Å; T488-M569 HydrophobicContact CG2-CG 4.46Å; T488-M569 HydrophobicContact CG2-SD 4.47Å; V565-M569 HydrophobicContact CG1-CG 4.04Å; V565-M569 WeakPolarHBondContact O-CB 3.38Å; V565-M569 VanDerWaalsContact O-CG 3.25Å; V565-M569 WeakPolarHBondContact O-CG 3.39Å; V565-M569 PolarHBondContact O-N 3.32Å; M569-L572 HydrophobicContact SD-CD1 4.35Å; M569-Y573 WeakPolarHBondContact O-CB 3.45Å; M569-Y573 PolarHBondContact O-N 2.95Å
570	G	98.6	Very high	98.1	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-66.2	-40.9	174.3	0	0	0	0	0	113.3	A451 K566 F567 L568 L574	A451-G570 WeakPolarHBondContact O-CA 3.35Å; K566-G570 PolarHBondContact O-N 3.16Å; K566-G570 VanDerWaalsContact O-N 3.13Å; F567-G570 PolarHBondContact O-N 3.15Å; L568-G570 PolarHBondContact O-N 3.06Å; G570-L574 WeakPolarHBondContact O-CB 3.36Å; G570-L574 VanDerWaalsContact O-CG 3.25Å; G570-L574 WeakPolarHBondContact O-CG 3.43Å; G570-L574 PolarHBondContact O-N 3.49Å; G570-L574 VanDerWaalsContact O-N 3.15Å
571	I	98.7	Very high	98	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-66.3	-49.4	175.4	-61.6	170.9	0	0	0	110.3	I381 F403 F447 W512 F567 L568 Y573 L574 S575	I381-I571 HydrophobicContact CG2-CD1 3.8Å; I381-I571 HydrophobicContact CG2-CG1 4.1Å; I381-I571 HydrophobicContact CG2-CG2 4.38Å; F403-I571 HydrophobicContact CE1-CG2 4.4Å; F403-I571 HydrophobicContact CE2-CG2 3.81Å; F403-I571 HydrophobicContact CZ-CG2 3.41Å; F403-I571 VanDerWaalsContact CZ-CG2 3.41Å; F447-I571 HydrophobicContact CE2-CG1 4.31Å; F447-I571 HydrophobicContact CZ-CG1 4.14Å; W512-I571 HydrophobicContact CH2-CD1 3.47Å; W512-I571 VanDerWaalsContact CH2-CD1 3.47Å; W512-I571 HydrophobicContact CZ2-CD1 3.53Å; F567-I571 HydrophobicContact CE1-CD1 4.34Å; F567-I571 HydrophobicContact CE2-CD1 4.1Å; F567-I571 HydrophobicContact CZ-CD1 3.93Å; F567-I571 PolarHBondContact O-N 2.98Å; L568-I571 PolarHBondContact O-N 3.42Å; I571-Y573 PolarHBondContact O-N 3.4Å; I571-L574 PolarHBondContact O-N 3.39Å; I571-S575 WeakPolarHBondContact O-CB 3.3Å; I571-S575 PolarHBondContact O-N 3.23Å; I571-S575 PolarHBondContact O-OG 2.93Å
572	L	98.7	Very high	98	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-62.6	-42.4	-178.7	-65.9	176	0	0	0	112	V399 H402 T488 L568 M569 L574 S575 I576	V399-L572 HydrophobicContact CG1-CD2 4.48Å; H402-L572 HydrophobicContact CB-CD2 4.17Å; H402-L572 WeakPolarHBondContact CD2-CD2 3.44Å; T488-L572 WeakPolarHBondContact OG1-CD1 3.5Å; L568-L572 WeakPolarHBondContact O-CG 3.25Å; L568-L572 PolarHBondContact O-N 3.33Å; M569-L572 HydrophobicContact SD-CD1 4.35Å; L572-L574 PolarHBondContact O-N 3.19Å; L572-S575 PolarHBondContact O-N 3.13Å; L572-I576 HydrophobicContact CB-CD1 4.13Å; L572-I576 HydrophobicContact CD2-CD1 4.16Å; L572-I576 VanDerWaalsContact O-CB 3.24Å; L572-I576 WeakPolarHBondContact O-CB 3.3Å; L572-I576 WeakPolarHBondContact O-CG1 3.38Å; L572-I576 PolarHBondContact O-N 3.23Å
573	Y	98.6	Very high	97.9	Very high	1 Å²	1	8.2 Å²	8.2	0%	0.004	4%	0.038	C	C	.	.	I	π-helix	trans	-60	-45.7	175	165.6	-103.1	0	0	0	111.9	N450 I453 E456 Y473 Y481 M569 I571 I577 V578	N450-Y573 WeakPolarHBondContact O-CE1 3.45Å; I453-Y573 HydrophobicContact CB-CD2 4.25Å; I453-Y573 HydrophobicContact CB-CE2 3.72Å; I453-Y573 HydrophobicContact CD1-CE2 4.44Å; I453-Y573 HydrophobicContact CG1-CE2 4.3Å; E456-Y573 PolarHBondContact OE2-OH 2.89Å; Y473-Y573 PolarHBondContact OH-OH 3.47Å; Y481-Y573 AromaticContact CD2-CD2 3.97Å; Y481-Y573 HydrophobicContact CD2-CD2 3.97Å; Y481-Y573 HydrophobicContact CD2-CG 4.32Å; Y481-Y573 HydrophobicContact CE2-CD2 4.4Å; Y481-Y573 HydrophobicContact CE2-CG 4.33Å; M569-Y573 WeakPolarHBondContact O-CB 3.45Å; M569-Y573 PolarHBondContact O-N 2.95Å; I571-Y573 PolarHBondContact O-N 3.4Å; Y573-I577 HydrophobicContact CD2-CB 3.9Å; Y573-I577 HydrophobicContact CD2-CD1 3.85Å; Y573-I577 HydrophobicContact CD2-CG1 4.45Å; Y573-I577 HydrophobicContact CD2-CG2 4.01Å; Y573-I577 HydrophobicContact CE2-CB 4.25Å; Y573-I577 HydrophobicContact CE2-CG2 3.86Å; Y573-I577 WeakPolarHBondContact O-CB 3.41Å; Y573-I577 PolarHBondContact O-N 3.26Å; Y573-I577 VanDerWaalsContact O-N 3.1Å; Y573-V578 HydrophobicContact CD1-CG2 3.93Å; Y573-V578 HydrophobicContact CD2-CG2 4.26Å; Y573-V578 HydrophobicContact CE1-CG2 3.42Å; Y573-V578 VanDerWaalsContact CE1-CG2 3.42Å; Y573-V578 HydrophobicContact CE2-CG2 3.8Å; Y573-V578 HydrophobicContact CG-CG2 4.33Å; Y573-V578 PolarHBondContact O-N 2.69Å
574	L	98.5	Very high	97.7	Very high	3 Å²	3	7 Å²	7	2%	0.016	3%	0.032	C	C	.	.	I	π-helix	trans	-65.2	-44.2	178.3	-71.6	175.4	0	0	0	112.3	T374 L378 W445 A451 G570 I571 L572 V578 T579	T374-L574 HydrophobicContact CG2-CD2 4.11Å; L378-L574 HydrophobicContact CD1-CB 4.38Å; L378-L574 HydrophobicContact CD2-CB 3.91Å; L378-L574 HydrophobicContact CG-CB 4.41Å; W445-L574 HydrophobicContact CH2-CD1 4.34Å; W445-L574 HydrophobicContact CZ2-CD1 3.91Å; A451-L574 HydrophobicContact CB-CD1 3.67Å; A451-L574 HydrophobicContact CB-CD2 4.42Å; A451-L574 HydrophobicContact CB-CG 3.92Å; G570-L574 WeakPolarHBondContact O-CB 3.36Å; G570-L574 VanDerWaalsContact O-CG 3.25Å; G570-L574 WeakPolarHBondContact O-CG 3.43Å; G570-L574 PolarHBondContact O-N 3.49Å; G570-L574 VanDerWaalsContact O-N 3.15Å; I571-L574 PolarHBondContact O-N 3.39Å; L572-L574 PolarHBondContact O-N 3.19Å; L574-V578 HydrophobicContact CD2-CG2 4.41Å; L574-T579 WeakPolarHBondContact O-CB 3.41Å; L574-T579 PolarHBondContact O-N 3.36Å; L574-T579 PolarHBondContact O-OG1 3.24Å
575	S	98.1	Very high	97.4	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.042	C	C	.	.	I	π-helix	trans	-70.5	-45.2	-177.9	-65.8	0	0	0	0	112.6	L378 I571 L572 G580	L378-S575 VanDerWaalsContact CD2-OG 3.3Å; L378-S575 WeakPolarHBondContact CD2-OG 3.27Å; I571-S575 WeakPolarHBondContact O-CB 3.3Å; I571-S575 PolarHBondContact O-N 3.23Å; I571-S575 PolarHBondContact O-OG 2.93Å; L572-S575 PolarHBondContact O-N 3.13Å; S575-G580 WeakPolarHBondContact O-CA 3.36Å; S575-G580 PolarHBondContact O-N 3.23Å
576	I	98	Very high	97.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.041	C	C	.	.	I	π-helix	trans	-91.3	-65.3	-170.4	-57.9	165.3	0	0	0	110.6	H402 L484 L572 G580 S581 L664 M716	H402-I576 VanDerWaalsContact CE1-CD1 3.5Å; H402-I576 WeakPolarHBondContact CE1-CD1 3.34Å; H402-I576 WeakPolarHBondContact ND1-CD1 3.38Å; L484-I576 HydrophobicContact CD1-CD1 4.03Å; L484-I576 HydrophobicContact CD2-CD1 3.85Å; L572-I576 HydrophobicContact CB-CD1 4.13Å; L572-I576 HydrophobicContact CD2-CD1 4.16Å; L572-I576 VanDerWaalsContact O-CB 3.24Å; L572-I576 WeakPolarHBondContact O-CB 3.3Å; L572-I576 WeakPolarHBondContact O-CG1 3.38Å; L572-I576 PolarHBondContact O-N 3.23Å; I576-G580 CarbonylContact O-C 3.45Å; I576-G580 WeakPolarHBondContact O-CA 3.45Å; I576-G580 PolarHBondContact O-N 3.03Å; I576-S581 PolarHBondContact O-N 3.14Å; I576-S581 VanDerWaalsContact O-N 3.16Å; I576-L664 HydrophobicContact CD1-CD1 4.07Å; I576-L664 HydrophobicContact CG1-CD1 4.41Å; I576-L664 HydrophobicContact CG2-CD1 3.69Å; I576-L664 HydrophobicContact CG2-CD2 3.88Å; I576-L664 HydrophobicContact CG2-CG 4.4Å; I576-M716 HydrophobicContact CG2-CE 3.81Å
577	I	98.3	Very high	97	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.017	C	C	.	.	I	π-helix	trans	-72.7	-47.1	-169.9	-67.8	166.9	0	0	0	110.6	Y473 A477 I480 L484 Y573 A582 L711 M716	Y473-I577 HydrophobicContact CE2-CG2 4.32Å; A477-I577 HydrophobicContact CB-CG2 3.86Å; I480-I577 HydrophobicContact CB-CD1 4.16Å; I480-I577 HydrophobicContact CB-CG1 4.43Å; I480-I577 HydrophobicContact CG2-CD1 4.01Å; I480-I577 HydrophobicContact CG2-CG1 4Å; L484-I577 HydrophobicContact CD1-CD1 4.08Å; L484-I577 HydrophobicContact CD1-CG1 4.5Å; Y573-I577 HydrophobicContact CD2-CB 3.9Å; Y573-I577 HydrophobicContact CD2-CD1 3.85Å; Y573-I577 HydrophobicContact CD2-CG1 4.45Å; Y573-I577 HydrophobicContact CD2-CG2 4.01Å; Y573-I577 HydrophobicContact CE2-CB 4.25Å; Y573-I577 HydrophobicContact CE2-CG2 3.86Å; Y573-I577 WeakPolarHBondContact O-CB 3.41Å; Y573-I577 PolarHBondContact O-N 3.26Å; Y573-I577 VanDerWaalsContact O-N 3.1Å; I577-A582 VanDerWaalsContact O-CB 3.29Å; I577-A582 WeakPolarHBondContact O-CB 3.46Å; I577-A582 PolarHBondContact O-N 2.68Å; I577-L711 HydrophobicContact CG2-CD2 4.04Å; I577-M716 HydrophobicContact CG1-CE 4.1Å
578	V	98.1	Very high	96.8	Very high	7 Å²	7	3.6 Å²	3.6	4%	0.042	2%	0.019	C	C	.	.	I	π-helix	trans	-79.1	-64.5	-173.9	178.1	0	0	0	0	111	F253 Y573 L574 A582 L583	F253-V578 HydrophobicContact CE1-CG1 4.39Å; F253-V578 HydrophobicContact CE1-CG2 4.16Å; F253-V578 HydrophobicContact CE2-CG1 4.45Å; F253-V578 HydrophobicContact CZ-CB 4.41Å; F253-V578 HydrophobicContact CZ-CG1 3.91Å; F253-V578 HydrophobicContact CZ-CG2 4.15Å; Y573-V578 HydrophobicContact CD1-CG2 3.93Å; Y573-V578 HydrophobicContact CD2-CG2 4.26Å; Y573-V578 HydrophobicContact CE1-CG2 3.42Å; Y573-V578 VanDerWaalsContact CE1-CG2 3.42Å; Y573-V578 HydrophobicContact CE2-CG2 3.8Å; Y573-V578 HydrophobicContact CG-CG2 4.33Å; Y573-V578 PolarHBondContact O-N 2.69Å; L574-V578 HydrophobicContact CD2-CG2 4.41Å; V578-A582 PolarHBondContact O-N 2.66Å; V578-L583 HydrophobicContact CG1-CD1 3.49Å; V578-L583 VanDerWaalsContact CG1-CD1 3.49Å; V578-L583 HydrophobicContact CG1-CG 3.96Å; V578-L583 WeakPolarHBondContact O-CB 2.93Å; V578-L583 WeakPolarHBondContact O-CG 3.22Å; V578-L583 PolarHBondContact O-N 3.26Å
579	T	96.1	Very high	96.5	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	I	π-helix	trans	-85.2	-41.1	-169.3	-46.2	0	0	0	0	112.4	T374 H375 L378 L574 S581 P720	T374-T579 WeakPolarHBondContact CG2-OG1 3.4Å; H375-T579 WeakPolarHBondContact CD2-CG2 3.17Å; H375-T579 WeakPolarHBondContact NE2-CG2 3.05Å; L378-T579 HydrophobicContact CD1-CG2 4.43Å; L574-T579 WeakPolarHBondContact O-CB 3.41Å; L574-T579 PolarHBondContact O-N 3.36Å; L574-T579 PolarHBondContact O-OG1 3.24Å; T579-S581 VanDerWaalsContact C-N 3.29Å; T579-S581 PolarHBondContact O-N 2.97Å; T579-P720 HydrophobicContact CG2-CB 3.76Å; T579-P720 HydrophobicContact CG2-CG 4.01Å
580	G	94.8	Very high	96.2	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	I	π-helix	trans	-61.3	-37.3	175.3	0	0	0	0	0	112.8	S575 I576 R584 P717	S575-G580 WeakPolarHBondContact O-CA 3.36Å; S575-G580 PolarHBondContact O-N 3.23Å; I576-G580 CarbonylContact O-C 3.45Å; I576-G580 WeakPolarHBondContact O-CA 3.45Å; I576-G580 PolarHBondContact O-N 3.03Å; G580-R584 PolarHBondContact O-NE 2.96Å; G580-R584 PolarHBondContact O-NH2 3.1Å; G580-P717 VanDerWaalsContact O-CG 3.27Å; G580-P717 WeakPolarHBondContact O-CG 3.49Å
581	S	95.8	Very high	96	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.032	C	C	.	.	I	π-helix	trans	-123.8	-76.1	-170.7	-81.4	0	0	0	0	115.2	I576 T579 L583 R584 L585 A710 M716	I576-S581 PolarHBondContact O-N 3.14Å; I576-S581 VanDerWaalsContact O-N 3.16Å; T579-S581 VanDerWaalsContact C-N 3.29Å; T579-S581 PolarHBondContact O-N 2.97Å; S581-L583 VanDerWaalsContact C-N 3.31Å; S581-L583 PolarHBondContact O-N 2.7Å; S581-R584 PolarHBondContact O-N 3.02Å; S581-L585 PolarHBondContact O-N 3.23Å; S581-A710 WeakPolarHBondContact CB-O 3.28Å; S581-A710 PolarHBondContact OG-O 3.1Å; S581-M716 VanDerWaalsContact OG-CG 3.32Å; S581-M716 WeakPolarHBondContact OG-CG 3.23Å
582	A	96.8	Very high	95.8	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.032	C	C	.	.	I	π-helix	trans	-60	-36.3	-162.1	0	0	0	0	0	114.3	F253 Y473 I577 V578 R584 P586 Y708	F253-A582 HydrophobicContact CE2-CB 4.35Å; F253-A582 HydrophobicContact CZ-CB 4.11Å; Y473-A582 HydrophobicContact CD2-CB 3.9Å; Y473-A582 HydrophobicContact CE2-CB 3.72Å; I577-A582 VanDerWaalsContact O-CB 3.29Å; I577-A582 WeakPolarHBondContact O-CB 3.46Å; I577-A582 PolarHBondContact O-N 2.68Å; V578-A582 PolarHBondContact O-N 2.66Å; A582-R584 VanDerWaalsContact C-N 3.35Å; A582-P586 WeakPolarHBondContact O-CD 3.3Å; A582-Y708 WeakPolarHBondContact CA-OH 3.3Å; A582-Y708 WeakPolarHBondContact CB-OH 3.39Å
583	L	96.2	Very high	95.5	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.005	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.8	177.5	-66.5	174.3	0	0	0	114.2	C250 F253 H366 G370 R371 V578 S581	C250-L583 WeakPolarHBondContact O-CD2 3.5Å; F253-L583 HydrophobicContact CD2-CD2 3.81Å; F253-L583 HydrophobicContact CE2-CD2 3.48Å; F253-L583 VanDerWaalsContact CE2-CD2 3.48Å; F253-L583 HydrophobicContact CE2-CG 3.89Å; H366-L583 PolarHBondContact CE1-O 3.23Å; H366-L583 PolarHBondContact NE2-O 3.38Å; G370-L583 VanDerWaalsContact C-CD1 3.48Å; G370-L583 WeakPolarHBondContact O-CD1 3.23Å; R371-L583 HydrophobicContact CG-CB 4.28Å; R371-L583 PolarHBondContact NH1-O 2.87Å; V578-L583 HydrophobicContact CG1-CD1 3.49Å; V578-L583 VanDerWaalsContact CG1-CD1 3.49Å; V578-L583 HydrophobicContact CG1-CG 3.96Å; V578-L583 WeakPolarHBondContact O-CB 2.93Å; V578-L583 WeakPolarHBondContact O-CG 3.22Å; V578-L583 PolarHBondContact O-N 3.26Å; S581-L583 VanDerWaalsContact C-N 3.31Å; S581-L583 PolarHBondContact O-N 2.7Å
584	R	93.9	Very high	95.2	Very high	3 Å²	3	6.4 Å²	6.4	1%	0.011	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-56.1	-167.9	-168.2	-178.4	59.6	84	7.7	112.9	G580 S581 A582 P586 M587 Q661 G721 I722	G580-R584 PolarHBondContact O-NE 2.96Å; G580-R584 PolarHBondContact O-NH2 3.1Å; S581-R584 PolarHBondContact O-N 3.02Å; A582-R584 VanDerWaalsContact C-N 3.35Å; R584-P586 VanDerWaalsContact C-CD 3.49Å; R584-P586 VanDerWaalsContact C-N 3.33Å; R584-M587 HydrophobicContact CG-SD 4.43Å; R584-M587 WeakPolarHBondContact O-CB 3.29Å; R584-M587 WeakPolarHBondContact O-CG 3.17Å; R584-M587 PolarHBondContact O-N 2.65Å; R584-Q661 VanDerWaalsContact CZ-NE2 3.33Å; R584-G721 VanDerWaalsContact CD-O 3.31Å; R584-G721 WeakPolarHBondContact CD-O 3.38Å; R584-I722 VanDerWaalsContact CD-O 3.24Å; R584-I722 WeakPolarHBondContact CD-O 3.37Å
585	L	93.6	Very high	94.9	Very high	38 Å²	38	6.3 Å²	6.3	20%	0.199	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-36.9	-172.5	-68.6	177.7	0	0	0	113.2	S581 M587 A710	S581-L585 PolarHBondContact O-N 3.23Å; L585-M587 PolarHBondContact O-N 2.83Å; L585-A710 HydrophobicContact CB-CB 3.8Å; L585-A710 HydrophobicContact CD1-CB 4.44Å; L585-A710 WeakPolarHBondContact CD1-O 3.37Å
586	P	93.7	Very high	94.6	Very high	6 Å²	6	6.4 Å²	6.4	4%	0.039	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-4.6	174.5	-15.4	30.4	0	0	0	114.5	C250 A582 R584 F588 D589 E590 Y708 A710	C250-P586 HydrophobicContact CB-CB 4.1Å; A582-P586 WeakPolarHBondContact O-CD 3.3Å; R584-P586 VanDerWaalsContact C-CD 3.49Å; R584-P586 VanDerWaalsContact C-N 3.33Å; P586-F588 VanDerWaalsContact C-N 3.34Å; P586-F588 PolarHBondContact O-N 3.33Å; P586-D589 PolarHBondContact O-N 3.43Å; P586-D589 VanDerWaalsContact O-N 3.1Å; P586-E590 HydrophobicContact CB-CG 4.38Å; P586-E590 WeakPolarHBondContact O-CG 3.33Å; P586-E590 PolarHBondContact O-N 2.77Å; P586-Y708 HydrophobicContact CG-CE2 3.91Å; P586-A710 HydrophobicContact CG-CB 3.71Å
587	M	94.6	Very high	94.5	Very high	6 Å²	6	6.4 Å²	6.4	3%	0.03	3%	0.034	C	C	.	.	H	α-helix	trans	-58.6	-43.6	-170	-77.9	179.2	59.2	0	0	112.8	C250 M367 R584 L585 D589 E590 Y591 T653	C250-M587 HydrophobicContact CB-CG 4.43Å; M367-M587 HydrophobicContact CE-CE 4.08Å; R584-M587 HydrophobicContact CG-SD 4.43Å; R584-M587 WeakPolarHBondContact O-CB 3.29Å; R584-M587 WeakPolarHBondContact O-CG 3.17Å; R584-M587 PolarHBondContact O-N 2.65Å; L585-M587 PolarHBondContact O-N 2.83Å; M587-D589 VanDerWaalsContact C-N 3.34Å; M587-E590 PolarHBondContact O-N 2.88Å; M587-Y591 HydrophobicContact CB-CD2 4.08Å; M587-Y591 HydrophobicContact CE-CD2 4.4Å; M587-Y591 HydrophobicContact CE-CE2 4.39Å; M587-Y591 HydrophobicContact CG-CD2 4.22Å; M587-Y591 HydrophobicContact CG-CE2 4.23Å; M587-Y591 VanDerWaalsContact O-CB 3.3Å; M587-Y591 WeakPolarHBondContact O-CB 3.1Å; M587-Y591 WeakPolarHBondContact O-CD2 3.3Å; M587-Y591 PolarHBondContact O-N 2.97Å; M587-T653 HydrophobicContact CE-CG2 4.14Å
588	F	94	Very high	94.3	Very high	8 Å²	8	6.4 Å²	6.4	4%	0.035	3%	0.034	C	C	.	.	H	α-helix	trans	-66.3	-38.9	178.6	-179.6	-109.7	0	0	0	111.8	T227 P229 P586 E590 G592 V650 R654	T227-F588 HydrophobicContact CG2-CE1 4.35Å; T227-F588 WeakPolarHBondContact O-CZ 3.19Å; P229-F588 HydrophobicContact CB-CD1 4.42Å; P229-F588 HydrophobicContact CB-CE1 3.96Å; P229-F588 HydrophobicContact CB-CZ 4.08Å; P586-F588 VanDerWaalsContact C-N 3.34Å; P586-F588 PolarHBondContact O-N 3.33Å; F588-E590 VanDerWaalsContact C-N 3.26Å; F588-E590 PolarHBondContact O-N 3.29Å; F588-G592 WeakPolarHBondContact O-CA 3.47Å; F588-G592 PolarHBondContact O-N 2.89Å; F588-V650 HydrophobicContact CE2-CG1 4.26Å; F588-R654 HydrophobicContact CD2-CB 3.52Å; F588-R654 HydrophobicContact CD2-CG 4.14Å; F588-R654 HydrophobicContact CE2-CB 3.57Å; F588-R654 HydrophobicContact CE2-CG 3.98Å; F588-R654 HydrophobicContact CG-CB 4.27Å; F588-R654 HydrophobicContact CZ-CB 4.35Å; F588-R654 HydrophobicContact CZ-CG 4.27Å
589	D	91.9	Very high	94.3	Very high	53 Å²	53	6.2 Å²	6.2	28%	0.283	3%	0.033	S	C	.	.	H	α-helix	trans	-65.5	-32.4	177.9	-69.6	-26.4	0	0	0	112.1	V230 S231 P586 M587	V230-D589 HydrophobicContact CB-CB 4.45Å; S231-D589 WeakPolarHBondContact CB-O 3.26Å; S231-D589 PolarHBondContact OG-O 2.68Å; P586-D589 PolarHBondContact O-N 3.43Å; P586-D589 VanDerWaalsContact O-N 3.1Å; M587-D589 VanDerWaalsContact C-N 3.34Å
590	E	93.4	Very high	94.3	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-87.1	-59.4	179.3	-58	-52.6	150.1	0	0	112.7	Q245 R248 C250 P586 M587 F588 Y597	Q245-E590 VanDerWaalsContact CD-OE2 3.28Å; Q245-E590 WeakPolarHBondContact CG-OE2 3.31Å; Q245-E590 PolarHBondContact NE2-OE2 3.1Å; R248-E590 IonicContact CZ-OE1 3.9Å; R248-E590 IonicContact NH1-OE1 3.4Å; R248-E590 PolarHBondContact NH1-OE1 3.27Å; R248-E590 IonicContact NH2-OE1 3.99Å; C250-E590 HydrophobicContact CB-CG 4.37Å; P586-E590 HydrophobicContact CB-CG 4.38Å; P586-E590 WeakPolarHBondContact O-CG 3.33Å; P586-E590 PolarHBondContact O-N 2.77Å; M587-E590 PolarHBondContact O-N 2.88Å; F588-E590 VanDerWaalsContact C-N 3.26Å; F588-E590 PolarHBondContact O-N 3.29Å; E590-Y597 HydrophobicContact CB-CD1 3.87Å; E590-Y597 HydrophobicContact CB-CE1 4.44Å; E590-Y597 HydrophobicContact CB-CG 4.25Å; E590-Y597 WeakPolarHBondContact O-CB 3.16Å
591	Y	94.9	Very high	94.4	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-76.4	-21.7	-176.8	-71.2	-76.2	0	0	0	113.8	A363 H366 M367 M587 F593 Y597 L599 T649 T653	A363-Y591 HydrophobicContact CB-CE1 3.83Å; A363-Y591 PolarHBondContact O-OH 3.46Å; A363-Y591 VanDerWaalsContact O-OH 3.1Å; H366-Y591 AromaticContact CE1-CE2 3.78Å; H366-Y591 AromaticContact ND1-CE2 3.51Å; H366-Y591 AromaticContact ND1-CZ 3.62Å; H366-Y591 PolarHBondContact ND1-OH 3.14Å; M367-Y591 HydrophobicContact CE-CE2 4.35Å; M587-Y591 HydrophobicContact CB-CD2 4.08Å; M587-Y591 HydrophobicContact CE-CD2 4.4Å; M587-Y591 HydrophobicContact CE-CE2 4.39Å; M587-Y591 HydrophobicContact CG-CD2 4.22Å; M587-Y591 HydrophobicContact CG-CE2 4.23Å; M587-Y591 VanDerWaalsContact O-CB 3.3Å; M587-Y591 WeakPolarHBondContact O-CB 3.1Å; M587-Y591 WeakPolarHBondContact O-CD2 3.3Å; M587-Y591 PolarHBondContact O-N 2.97Å; Y591-F593 PolarHBondContact O-N 3.12Å; Y591-Y597 AromaticContact CD1-CD1 3.63Å; Y591-Y597 HydrophobicContact CD1-CD1 3.63Å; Y591-Y597 HydrophobicContact CD1-CE1 4.28Å; Y591-Y597 WeakPolarHBondContact CD1-O 3.38Å; Y591-Y597 HydrophobicContact CD2-CD1 4.05Å; Y591-Y597 HydrophobicContact CD2-CE1 4.34Å; Y591-Y597 AromaticContact CE1-CD1 3.46Å; Y591-Y597 HydrophobicContact CE1-CD1 3.46Å; Y591-Y597 VanDerWaalsContact CE1-CD1 3.46Å; Y591-Y597 AromaticContact CE1-CE1 3.68Å; Y591-Y597 HydrophobicContact CE1-CE1 3.68Å; Y591-Y597 AromaticContact CE2-CD1 3.89Å; Y591-Y597 HydrophobicContact CE2-CD1 3.89Å; Y591-Y597 AromaticContact CE2-CE1 3.74Å; Y591-Y597 HydrophobicContact CE2-CE1 3.74Å; Y591-Y597 AromaticContact CG-CD1 3.93Å; Y591-Y597 HydrophobicContact CG-CD1 3.93Å; Y591-Y597 AromaticContact CZ-CD1 3.61Å; Y591-Y597 AromaticContact CZ-CE1 3.37Å; Y591-L599 HydrophobicContact CE1-CB 4.25Å; Y591-L599 HydrophobicContact CE1-CD1 3.92Å; Y591-T649 HydrophobicContact CD1-CG2 4.44Å; Y591-T653 HydrophobicContact CD2-CG2 4.32Å; Y591-T653 HydrophobicContact CG-CG2 4.18Å
592	G	93.6	Very high	94.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.2	-174.4	0	0	0	0	0	113.2	Y221 F588 V650	Y221-G592 WeakPolarHBondContact CE1-O 3.34Å; Y221-G592 PolarHBondContact OH-O 2.8Å; F588-G592 WeakPolarHBondContact O-CA 3.47Å; F588-G592 PolarHBondContact O-N 2.89Å; G592-V650 WeakPolarHBondContact O-CG2 3.34Å
593	F	93.6	Very high	94	Very high	7 Å²	7	11.5 Å²	11.5	3%	0.031	7%	0.069	C	C	.	.	S	Bend	trans	-121.4	101.2	166.9	-173.7	-128.8	0	0	0	109.4	L217 Y221 P229 S231 L232 W235 Y591 A595 Q596 Y597	L217-F593 HydrophobicContact CD2-CE2 3.88Å; L217-F593 HydrophobicContact CD2-CZ 4.4Å; L217-F593 HydrophobicContact CG-CD2 4.5Å; L217-F593 HydrophobicContact CG-CE2 3.85Å; Y221-F593 HydrophobicContact CE2-CD2 4.14Å; Y221-F593 WeakPolarHBondContact OH-CA 3.43Å; P229-F593 HydrophobicContact CG-CB 3.99Å; S231-F593 WeakPolarHBondContact OG-CB 3.45Å; L232-F593 HydrophobicContact CD1-CD1 4.47Å; L232-F593 HydrophobicContact CD1-CD2 3.66Å; L232-F593 HydrophobicContact CD1-CE1 4.32Å; L232-F593 HydrophobicContact CD1-CE2 3.45Å; L232-F593 VanDerWaalsContact CD1-CE2 3.45Å; L232-F593 HydrophobicContact CD1-CG 4.18Å; L232-F593 HydrophobicContact CD1-CZ 3.83Å; W235-F593 HydrophobicContact CB-CD1 3.98Å; W235-F593 HydrophobicContact CB-CE1 3.66Å; W235-F593 HydrophobicContact CD2-CE1 4.05Å; W235-F593 AromaticContact CE3-CE1 3.99Å; W235-F593 HydrophobicContact CE3-CE1 3.99Å; W235-F593 AromaticContact CG-CE1 3.96Å; W235-F593 HydrophobicContact CG-CE1 3.96Å; Y591-F593 PolarHBondContact O-N 3.12Å; F593-A595 HydrophobicContact CD1-CB 4.14Å; F593-A595 HydrophobicContact CE1-CB 3.65Å; F593-A595 HydrophobicContact CE2-CB 4.23Å; F593-A595 HydrophobicContact CZ-CB 3.7Å; F593-A595 PolarHBondContact O-N 3.46Å; F593-A595 VanDerWaalsContact O-N 3.09Å; F593-Q596 HydrophobicContact CB-CB 4.31Å; F593-Q596 HydrophobicContact CD1-CB 3.91Å; F593-Q596 WeakPolarHBondContact O-CA 3.43Å; F593-Q596 VanDerWaalsContact O-CB 3.3Å; F593-Q596 WeakPolarHBondContact O-CB 3.35Å; F593-Q596 PolarHBondContact O-N 3.19Å; F593-Y597 PolarHBondContact O-N 2.79Å
594	P	92.4	Very high	93.6	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.013	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-22	-173.8	-27.7	36.2	0	0	0	115.2	Q596 P598 P641 T646	P594-Q596 PolarHBondContact O-N 3.45Å; P594-P598 WeakPolarHBondContact O-CA 3.37Å; P594-P598 WeakPolarHBondContact O-CB 3.48Å; P594-P598 WeakPolarHBondContact O-CD 3.42Å; P594-P641 HydrophobicContact CB-CB 4.36Å; P594-P641 HydrophobicContact CB-CG 3.9Å; P594-T646 HydrophobicContact CG-CG2 4.05Å
595	A	91.2	Very high	93.3	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.008	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-10.3	171.2	0	0	0	0	0	113.6	L214 L217 W235 L356 F593 L640	L214-A595 HydrophobicContact CD2-CB 4.34Å; L217-A595 HydrophobicContact CD2-CB 3.98Å; W235-A595 HydrophobicContact CE3-CB 4.25Å; W235-A595 HydrophobicContact CZ3-CB 4.24Å; L356-A595 WeakPolarHBondContact CD2-O 3.4Å; F593-A595 HydrophobicContact CD1-CB 4.14Å; F593-A595 HydrophobicContact CE1-CB 3.65Å; F593-A595 HydrophobicContact CE2-CB 4.23Å; F593-A595 HydrophobicContact CZ-CB 3.7Å; F593-A595 PolarHBondContact O-N 3.46Å; F593-A595 VanDerWaalsContact O-N 3.09Å; A595-L640 HydrophobicContact CB-CD1 3.78Å; A595-L640 HydrophobicContact CB-CD2 4.14Å
596	Q	91.9	Very high	92.8	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.009	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-48.8	167.1	174.8	72.3	18.3	0	0	111.8	W235 M236 N359 F593 P594	W235-Q596 VanDerWaalsContact C-OE1 3.3Å; M236-Q596 VanDerWaalsContact CG-CD 3.48Å; M236-Q596 HydrophobicContact CG-CG 4.42Å; N359-Q596 PolarHBondContact ND2-O 2.98Å; F593-Q596 HydrophobicContact CB-CB 4.31Å; F593-Q596 HydrophobicContact CD1-CB 3.91Å; F593-Q596 WeakPolarHBondContact O-CA 3.43Å; F593-Q596 VanDerWaalsContact O-CB 3.3Å; F593-Q596 WeakPolarHBondContact O-CB 3.35Å; F593-Q596 PolarHBondContact O-N 3.19Å; P594-Q596 PolarHBondContact O-N 3.45Å
597	Y	94.7	Very high	91.8	Very high	1 Å²	1	17 Å²	17	0%	0.004	10%	0.104	C	C	.	.	S	Bend	trans	-140.5	76.1	-170.8	-157.9	-124.3	0	0	0	111.6	C250 N359 D362 A363 E590 Y591 F593	C250-Y597 VanDerWaalsContact SG-CE1 3.52Å; N359-Y597 HydrophobicContact CB-CD2 3.84Å; N359-Y597 HydrophobicContact CB-CE2 4.3Å; D362-Y597 HydrophobicContact CB-CE2 3.95Å; D362-Y597 VanDerWaalsContact CG-OH 3.24Å; D362-Y597 PolarHBondContact O-OH 3.38Å; D362-Y597 VanDerWaalsContact OD2-CE2 3.32Å; D362-Y597 WeakPolarHBondContact OD2-CE2 3.15Å; D362-Y597 PolarHBondContact OD2-OH 3.17Å; A363-Y597 WeakPolarHBondContact CA-OH 3.41Å; A363-Y597 HydrophobicContact CB-CD1 4.16Å; A363-Y597 HydrophobicContact CB-CE1 3.81Å; A363-Y597 HydrophobicContact CB-CE2 4.16Å; A363-Y597 HydrophobicContact CB-CG 4.5Å; A363-Y597 PolarHBondContact N-OH 2.93Å; E590-Y597 HydrophobicContact CB-CD1 3.87Å; E590-Y597 HydrophobicContact CB-CE1 4.44Å; E590-Y597 HydrophobicContact CB-CG 4.25Å; E590-Y597 WeakPolarHBondContact O-CB 3.16Å; Y591-Y597 AromaticContact CD1-CD1 3.63Å; Y591-Y597 HydrophobicContact CD1-CD1 3.63Å; Y591-Y597 HydrophobicContact CD1-CE1 4.28Å; Y591-Y597 WeakPolarHBondContact CD1-O 3.38Å; Y591-Y597 HydrophobicContact CD2-CD1 4.05Å; Y591-Y597 HydrophobicContact CD2-CE1 4.34Å; Y591-Y597 AromaticContact CE1-CD1 3.46Å; Y591-Y597 HydrophobicContact CE1-CD1 3.46Å; Y591-Y597 VanDerWaalsContact CE1-CD1 3.46Å; Y591-Y597 AromaticContact CE1-CE1 3.68Å; Y591-Y597 HydrophobicContact CE1-CE1 3.68Å; Y591-Y597 AromaticContact CE2-CD1 3.89Å; Y591-Y597 HydrophobicContact CE2-CD1 3.89Å; Y591-Y597 AromaticContact CE2-CE1 3.74Å; Y591-Y597 HydrophobicContact CE2-CE1 3.74Å; Y591-Y597 AromaticContact CG-CD1 3.93Å; Y591-Y597 HydrophobicContact CG-CD1 3.93Å; Y591-Y597 AromaticContact CZ-CD1 3.61Å; Y591-Y597 AromaticContact CZ-CE1 3.37Å; F593-Y597 PolarHBondContact O-N 2.79Å
598	P	95.9	Very high	90.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.114	C	C	.	.			trans	-72.5	133.9	-173.9	28.3	-34.9	0	0	0	111.6	L356 L360 A363 P594 S600 L601	L356-P598 HydrophobicContact CD2-CG 4.08Å; L360-P598 WeakPolarHBondContact CA-O 3.28Å; L360-P598 HydrophobicContact CB-CG 4.44Å; L360-P598 WeakPolarHBondContact CD1-O 3.43Å; A363-P598 VanDerWaalsContact CB-O 3.28Å; A363-P598 WeakPolarHBondContact CB-O 3.49Å; P594-P598 WeakPolarHBondContact O-CA 3.37Å; P594-P598 WeakPolarHBondContact O-CB 3.48Å; P594-P598 WeakPolarHBondContact O-CD 3.42Å; P598-S600 VanDerWaalsContact C-N 3.34Å; P598-L601 HydrophobicContact CB-CD2 3.76Å; P598-L601 HydrophobicContact CB-CG 4.07Å; P598-L601 HydrophobicContact CG-CD1 4.21Å; P598-L601 HydrophobicContact CG-CD2 3.81Å; P598-L601 HydrophobicContact CG-CG 3.98Å
599	L	96.9	Very high	89.2	Confident	3 Å²	3	21.2 Å²	21.2	2%	0.016	12%	0.123	C	C	.	.	S	Bend	trans	-83.8	-14.3	168.6	-162.7	63.6	0	0	0	112.4	L360 A363 M367 W422 N426 I427 Q428 Y591	L360-L599 VanDerWaalsContact CD1-C 3.45Å; L360-L599 WeakPolarHBondContact CD1-O 3.38Å; A363-L599 HydrophobicContact CB-CD1 4.16Å; M367-L599 HydrophobicContact CB-CD1 4.15Å; M367-L599 HydrophobicContact CE-CD1 4.35Å; M367-L599 HydrophobicContact CE-CD2 4.26Å; W422-L599 HydrophobicContact CH2-CD2 4.41Å; W422-L599 HydrophobicContact CZ3-CD2 3.83Å; N426-L599 HydrophobicContact CB-CD2 4.14Å; N426-L599 CarbonylContact O-C 3.6Å; I427-L599 WeakPolarHBondContact CA-O 3.47Å; I427-L599 HydrophobicContact CB-CD2 4.29Å; I427-L599 HydrophobicContact CB-CG 4.12Å; I427-L599 HydrophobicContact CD1-CD1 4.44Å; I427-L599 HydrophobicContact CG1-CD1 4.11Å; I427-L599 HydrophobicContact CG1-CG 4.11Å; Q428-L599 PolarHBondContact N-O 2.9Å; Y591-L599 HydrophobicContact CE1-CB 4.25Å; Y591-L599 HydrophobicContact CE1-CD1 3.92Å
600	S	96.9	Very high	87.6	Confident	3 Å²	3	23.9 Å²	23.9	2%	0.021	14%	0.137	C	C	.	.			trans	-150	146.9	173.7	160.2	0	0	0	0	111.1	R307 N426 Q428 P598 P641 M645	R307-S600 PolarHBondContact NH1-OG 3.17Å; N426-S600 WeakPolarHBondContact O-CB 3.43Å; Q428-S600 PolarHBondContact OE1-OG 3.11Å; P598-S600 VanDerWaalsContact C-N 3.34Å; S600-P641 WeakPolarHBondContact O-CG 3.36Å; S600-M645 VanDerWaalsContact CB-CE 3.47Å; S600-M645 WeakPolarHBondContact OG-CE 3.3Å
601	L	96.3	Very high	85.8	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.161	C	C	.	.			trans	-129	146.8	170	-66.5	172.6	0	0	0	110.6	R307 L356 W357 L360 Q428 P598 S639 L640	R307-L601 PolarHBondContact NH1-O 3.27Å; L356-L601 HydrophobicContact CB-CD1 4.08Å; W357-L601 HydrophobicContact CD2-CD1 4.02Å; W357-L601 HydrophobicContact CE3-CD1 4.43Å; W357-L601 HydrophobicContact CG-CD1 4.22Å; W357-L601 HydrophobicContact CH2-CB 4.48Å; W357-L601 HydrophobicContact CZ2-CB 4.39Å; L360-L601 HydrophobicContact CB-CD1 3.92Å; L360-L601 HydrophobicContact CB-CG 4.36Å; L360-L601 HydrophobicContact CD2-CB 3.96Å; L360-L601 HydrophobicContact CD2-CD1 3.93Å; L360-L601 HydrophobicContact CD2-CG 4Å; L360-L601 HydrophobicContact CG-CD1 4.46Å; Q428-L601 PolarHBondContact NE2-O 3.24Å; Q428-L601 PolarHBondContact OE1-O 3.11Å; P598-L601 HydrophobicContact CB-CD2 3.76Å; P598-L601 HydrophobicContact CB-CG 4.07Å; P598-L601 HydrophobicContact CG-CD1 4.21Å; P598-L601 HydrophobicContact CG-CD2 3.81Å; P598-L601 HydrophobicContact CG-CG 3.98Å; L601-S639 CarbonylContact C-O 3.44Å; L601-S639 VanDerWaalsContact CA-O 3.23Å; L601-S639 WeakPolarHBondContact CA-O 3.49Å; L601-S639 VanDerWaalsContact CD2-O 3.25Å; L601-S639 WeakPolarHBondContact CD2-O 3.44Å; L601-L640 HydrophobicContact CD2-CD2 4.26Å
602	F	94.5	Very high	83.6	Confident	62 Å²	62	30.2 Å²	30.2	27%	0.272	17%	0.172	S	C	.	.			trans	-93.1	154.8	172.4	-65.6	-97.8	0	0	0	111	S639 L640 M645	F602-S639 PolarHBondContact N-O 2.91Å; F602-S639 WeakPolarHBondContact O-CA 3.32Å; F602-S639 VanDerWaalsContact O-CB 3.25Å; F602-S639 WeakPolarHBondContact O-CB 3.35Å; F602-L640 VanDerWaalsContact CD2-O 3.25Å; F602-L640 WeakPolarHBondContact CD2-O 3.35Å; F602-M645 HydrophobicContact CE2-SD 4.03Å; F602-M645 HydrophobicContact CZ-SD 3.98Å
603	G	90.3	Very high	81.3	Confident	45 Å²	45	34 Å²	34	46%	0.464	20%	0.198	S	C	.	.	S	Bend	trans	78.3	-163.8	-179.5	0	0	0	0	0	113.8
604	S	88.1	Confident	78.4	Confident	73 Å²	73	41.7 Å²	41.7	51%	0.51	24%	0.239	S	C	.	.			trans	-112.2	149.6	-174.9	-55.2	0	0	0	0	111.1	E308	E308-S604 PolarHBondContact OE1-OG 2.75Å
605	P	87.4	Confident	75.6	Confident	11 Å²	11	43.5 Å²	43.5	7%	0.071	26%	0.258	C	S	.	.			trans	-63.4	150.4	176.4	27.6	-36	0	0	0	112.2	E308 C310 L331 W357 L607	E308-P605 VanDerWaalsContact OE2-CD 3.27Å; E308-P605 WeakPolarHBondContact OE2-CD 3.41Å; C310-P605 WeakPolarHBondContact SG-CB 2.97Å; C310-P605 WeakPolarHBondContact SG-CG 3.37Å; L331-P605 HydrophobicContact CD1-CB 3.87Å; W357-P605 HydrophobicContact CD2-CB 3.82Å; W357-P605 VanDerWaalsContact CE2-CA 3.49Å; W357-P605 HydrophobicContact CE3-CB 4.22Å; W357-P605 HydrophobicContact CG-CB 4.15Å; W357-P605 HydrophobicContact CZ2-CB 4.15Å; P605-L607 HydrophobicContact CB-CD2 4.27Å; P605-L607 HydrophobicContact CG-CD2 3.72Å; P605-L607 HydrophobicContact CG-CG 4Å; P605-L607 PolarHBondContact O-N 3.21Å
606	P	83	Confident	72.6	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.013	30%	0.3	C	S	.	.			trans	-69.3	92.9	169.2	29.9	-35	0	0	0	109.8	L331 I342 I350 Q353 F612	L331-P606 HydrophobicContact CD1-CG 3.68Å; I342-P606 HydrophobicContact CD1-CB 4.24Å; I342-P606 HydrophobicContact CD1-CG 3.84Å; I350-P606 HydrophobicContact CG2-CB 4.39Å; Q353-P606 HydrophobicContact CB-CG 3.85Å; P606-F612 HydrophobicContact CB-CD2 4.18Å; P606-F612 HydrophobicContact CB-CE2 3.37Å; P606-F612 HydrophobicContact CB-CZ 3.9Å
607	L	71.6	Confident	69.7	Low	77 Å²	77	57.9 Å²	57.9	40%	0.403	34%	0.34	S	S	.	.			trans	-79.9	-20.9	-173	-68.5	176.9	0	0	0	114.3	N332 P605	N332-L607 HydrophobicContact CB-CD2 3.69Å; P605-L607 HydrophobicContact CB-CD2 4.27Å; P605-L607 HydrophobicContact CG-CD2 3.72Å; P605-L607 HydrophobicContact CG-CG 4Å; P605-L607 PolarHBondContact O-N 3.21Å
608	D	68.1	Low	66.4	Low	43 Å²	43	66 Å²	66	23%	0.23	38%	0.383	C	S	.	.	S	Bend	trans	-144.2	137.6	178	-170.4	-43.3	0	0	0	109.9	S339 N610 T611	S339-D608 WeakPolarHBondContact CB-OD1 3.31Å; S339-D608 WeakPolarHBondContact CB-OD2 3.47Å; S339-D608 PolarHBondContact OG-OD2 3.01Å; D608-N610 PolarHBondContact O-N 3.39Å; D608-N610 VanDerWaalsContact O-N 3.09Å; D608-N610 WeakPolarHBondContact OD1-CB 3.34Å; D608-N610 PolarHBondContact OD1-N 3.46Å; D608-T611 HydrophobicContact CB-CG2 4.2Å; D608-T611 PolarHBondContact O-N 3.3Å; D608-T611 PolarHBondContact O-OG1 3.27Å
609	R	65.8	Low	63.2	Low	60 Å²	60	69.1 Å²	69.1	23%	0.226	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-47.7	-35.3	172.9	-69.3	-175.4	-165.6	174.2	8.1	113.2	S339 I341 D346	S339-R609 WeakPolarHBondContact O-CG 3.34Å; S339-R609 PolarHBondContact O-N 3.02Å; I341-R609 PolarHBondContact O-NE 3.2Å; I341-R609 PolarHBondContact O-NH2 3.15Å; D346-R609 IonicContact OD1-NE 3.21Å; D346-R609 IonicContact OD2-NE 3.49Å; D346-R609 PolarHBondContact OD2-NE 3.28Å
610	N	59.3	Low	60	Low	110 Å²	110	73.8 Å²	73.8	59%	0.588	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-81.5	-14	-175	-62.1	-30.7	0	0	0	113.9	D608 F612 S613	D608-N610 PolarHBondContact O-N 3.39Å; D608-N610 VanDerWaalsContact O-N 3.09Å; D608-N610 WeakPolarHBondContact OD1-CB 3.34Å; D608-N610 PolarHBondContact OD1-N 3.46Å; N610-F612 PolarHBondContact O-N 2.84Å; N610-S613 PolarHBondContact O-N 2.99Å; N610-S613 PolarHBondContact O-OG 3.22Å
611	T	54.5	Low	56.8	Low	83 Å²	83	83.6 Å²	83.6	51%	0.509	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-73.6	-6.2	-179.2	46.8	0	0	0	0	114.1	D608	D608-T611 HydrophobicContact CB-CG2 4.2Å; D608-T611 PolarHBondContact O-N 3.3Å; D608-T611 PolarHBondContact O-OG1 3.27Å
612	F	50.6	Low	53.4	Low	50 Å²	50	87 Å²	87	22%	0.219	54%	0.535	C	S	.	.	G	3₁₀ helix	trans	-104.5	-7.3	178.4	-81.5	-103.1	0	0	0	114.1	I350 P606 N610 D614 R635	I350-F612 HydrophobicContact CD1-CB 3.5Å; I350-F612 HydrophobicContact CD1-CD1 4.49Å; I350-F612 HydrophobicContact CD1-CD2 4.28Å; I350-F612 HydrophobicContact CD1-CG 3.85Å; I350-F612 HydrophobicContact CG1-CB 4Å; I350-F612 HydrophobicContact CG1-CD1 4.04Å; I350-F612 HydrophobicContact CG1-CD2 4.27Å; I350-F612 HydrophobicContact CG1-CG 3.83Å; P606-F612 HydrophobicContact CB-CD2 4.18Å; P606-F612 HydrophobicContact CB-CE2 3.37Å; P606-F612 HydrophobicContact CB-CZ 3.9Å; N610-F612 PolarHBondContact O-N 2.84Å; F612-D614 PolarHBondContact O-N 3.26Å; F612-R635 VanDerWaalsContact CD1-NH1 3.26Å; F612-R635 VanDerWaalsContact CE1-CD 3.48Å; F612-R635 VanDerWaalsContact CE1-NH1 3.26Å
613	S	43.6	Very low	50.2	Low	78 Å²	78	89 Å²	89	55%	0.545	56%	0.557	S	S	.	*			trans	-83.9	0.5	-176.9	40.3	0	0	0	0	115.6	N610 G615	N610-S613 PolarHBondContact O-N 2.99Å; N610-S613 PolarHBondContact O-OG 3.22Å; S613-G615 PolarHBondContact O-N 2.82Å
614	D	33.9	Very low	47.3	Very low	169 Å²	169	93.2 Å²	93.2	90%	0.904	57%	0.573	S	S	*	*			trans	-78.8	20.3	179	-92.7	-7.6	0	0	0	114.9	F612	F612-D614 PolarHBondContact O-N 3.26Å
615	G	33.5	Very low	44.4	Very low	40 Å²	40	99 Å²	99	41%	0.412	59%	0.59	S	S	.	*	S	Bend	trans	-111.7	101.9	162.2	0	0	0	0	0	109.2	S613 L617	S613-G615 PolarHBondContact O-N 2.82Å; G615-L617 PolarHBondContact O-N 2.91Å
616	T	27.2	Very low	41.5	Very low	144 Å²	144	102.2 Å²	102.2	88%	0.883	61%	0.613	S	S	*	*			trans	-22.2	114	175.9	27.5	0	0	0	0	116
617	L	31.9	Very low	39	Very low	162 Å²	162	112.4 Å²	112.4	85%	0.848	66%	0.657	S	S	*	*			trans	-121.5	86.4	161.3	-79.4	170.8	0	0	0	110.3	G615	G615-L617 PolarHBondContact O-N 2.91Å
618	N	26.1	Very low	37.1	Very low	171 Å²	171	112.5 Å²	112.5	91%	0.914	66%	0.664	S	S	*	*			trans	-93.5	115.2	145.1	-84.9	-23.1	0	0	0	106.7
619	G	28.5	Very low	35.8	Very low	66 Å²	66	116.6 Å²	116.6	68%	0.68	69%	0.686	S	S	*	*			trans	140.1	102.9	159.2	0	0	0	0	0	117.6
620	A	28.3	Very low	34.9	Very low	101 Å²	101	117.9 Å²	117.9	84%	0.835	70%	0.7	S	S	*	*			trans	71.5	125	137.8	0	0	0	0	0	121.2	G622	A620-G622 PolarHBondContact O-N 2.79Å
621	H	29.4	Very low	34.6	Very low	208 Å²	208	120.3 Å²	120.3	96%	0.963	71%	0.708	S	S	*	*			trans	-43.4	115.7	159.4	-72.8	-89.4	0	0	0	112.1
622	G	26.3	Very low	34.9	Very low	73 Å²	73	117.3 Å²	117.3	75%	0.753	69%	0.694	S	S	*	*			trans	-136.8	139.3	177.8	0	0	0	0	0	111.9	A620	A620-G622 PolarHBondContact O-N 2.79Å
623	S	26	Very low	36.2	Very low	104 Å²	104	117.9 Å²	117.9	73%	0.727	70%	0.699	S	S	*	*			trans	-64	155	-167.8	97.4	0	0	0	0	115.6	F625	S623-F625 PolarHBondContact O-N 2.81Å
624	V	30.6	Very low	37.9	Very low	133 Å²	133	118.2 Å²	118.2	81%	0.806	70%	0.695	S	S	*	*	S	Bend	trans	-68.4	13.7	-171.2	174.3	0	0	0	0	116
625	F	27	Very low	40.2	Very low	194 Å²	194	116.6 Å²	116.6	85%	0.851	68%	0.676	S	S	*	*			trans	-139.1	48.7	-176.2	-76.7	-79	0	0	0	115.2	S623	S623-F625 PolarHBondContact O-N 2.81Å
626	S	27.1	Very low	42.7	Very low	79 Å²	79	114.7 Å²	114.7	55%	0.552	66%	0.656	S	S	*	*			trans	-130.2	124.1	168.7	-176.3	0	0	0	0	111.4	S628	S626-S628 PolarHBondContact O-N 3.41Å; S626-S628 PolarHBondContact OG-OG 3.25Å
627	F	30.3	Very low	45.7	Very low	215 Å²	215	108.9 Å²	108.9	94%	0.943	62%	0.619	S	S	*	*			trans	-67.4	26.1	175.4	-81.2	-88.6	0	0	0	114
628	S	31.2	Very low	48.4	Very low	80 Å²	80	103.8 Å²	103.8	56%	0.559	60%	0.601	S	S	*	*			trans	-96.8	10.6	-171.9	50.2	0	0	0	0	115.6	S626 V630	S626-S628 PolarHBondContact O-N 3.41Å; S626-S628 PolarHBondContact OG-OG 3.25Å; S628-V630 PolarHBondContact O-N 3.47Å
629	N	39.8	Very low	51.6	Low	128 Å²	128	95.9 Å²	95.9	68%	0.684	56%	0.559	S	S	*	*			trans	-80.5	49.2	170.4	-86.7	-10.7	0	0	0	112.7	Q631	N629-Q631 PolarHBondContact O-N 3.18Å
630	V	48.4	Very low	54.7	Low	87 Å²	87	92.9 Å²	92.9	53%	0.527	53%	0.528	S	S	.	.	H	α-helix	trans	-62.9	-41.9	-168.1	-178.1	0	0	0	0	112.8	S628 G632 L633	S628-V630 PolarHBondContact O-N 3.47Å; V630-G632 VanDerWaalsContact C-N 3.28Å; V630-G632 PolarHBondContact O-N 2.98Å; V630-G632 VanDerWaalsContact O-N 3.15Å; V630-L633 PolarHBondContact O-N 3.14Å
631	Q	52.3	Low	57.9	Low	162 Å²	162	88.3 Å²	88.3	76%	0.757	49%	0.489	S	S	*	.	H	α-helix	trans	-64.2	-27.3	-173	-70.9	-176.6	-6.8	0	0	115	N629	N629-Q631 PolarHBondContact O-N 3.18Å
632	G	61	Low	61.1	Low	20 Å²	20	78.9 Å²	78.9	21%	0.206	45%	0.446	C	S	.	.	H	α-helix	trans	-77.4	-31	-178.4	0	0	0	0	0	113.3	S349 V630	S349-G632 VanDerWaalsContact CB-C 3.46Å; S349-G632 WeakPolarHBondContact CB-O 3.16Å; V630-G632 VanDerWaalsContact C-N 3.28Å; V630-G632 PolarHBondContact O-N 2.98Å; V630-G632 VanDerWaalsContact O-N 3.15Å
633	L	77.6	Confident	64.4	Low	61 Å²	61	76.8 Å²	76.8	32%	0.319	42%	0.415	S	S	.	.	H	α-helix	trans	-78.3	-26.4	-178.6	-85.1	136.4	0	0	0	112.1	L214 V630 R635 V636 L637	L214-L633 HydrophobicContact CD1-CD2 3.7Å; V630-L633 PolarHBondContact O-N 3.14Å; L633-R635 VanDerWaalsContact C-N 3.26Å; L633-R635 PolarHBondContact O-N 2.92Å; L633-V636 WeakPolarHBondContact O-CA 3.26Å; L633-V636 WeakPolarHBondContact O-CB 3.49Å; L633-V636 PolarHBondContact O-N 2.8Å; L633-L637 WeakPolarHBondContact O-CB 3.34Å; L633-L637 PolarHBondContact O-N 3.08Å
634	D	80.2	Confident	67.8	Low	86 Å²	86	74.2 Å²	74.2	46%	0.46	39%	0.392	S	S	.	.	H	α-helix	trans	-57.3	-40.3	175.9	-61.8	-23.8	0	0	0	111.9	L637 A638	D634-L637 PolarHBondContact O-N 3.35Å; D634-A638 VanDerWaalsContact O-CB 3.3Å; D634-A638 WeakPolarHBondContact O-CB 3.14Å; D634-A638 PolarHBondContact O-N 3.12Å
635	R	81.3	Confident	70.9	Confident	134 Å²	134	68.6 Å²	68.6	51%	0.506	36%	0.357	S	S	.	.	H	α-helix	trans	-67.6	-35.3	175.2	-74.7	-173.1	178	-173.7	1.9	113	Q353 F612 L633 S639	Q353-R635 PolarHBondContact NE2-O 2.98Å; F612-R635 VanDerWaalsContact CD1-NH1 3.26Å; F612-R635 VanDerWaalsContact CE1-CD 3.48Å; F612-R635 VanDerWaalsContact CE1-NH1 3.26Å; L633-R635 VanDerWaalsContact C-N 3.26Å; L633-R635 PolarHBondContact O-N 2.92Å; R635-S639 PolarHBondContact O-N 3.24Å
636	V	86.5	Confident	74.2	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.006	32%	0.317	C	S	.	.	H	α-helix	trans	-64.2	-51.5	175.3	173.8	0	0	0	0	108.6	L352 Q353 L356 L633 A638 S639 L640	L352-V636 HydrophobicContact CD2-CG1 3.85Å; L352-V636 HydrophobicContact CD2-CG2 4.15Å; L352-V636 HydrophobicContact CG-CG1 4.22Å; L352-V636 HydrophobicContact CG-CG2 4.39Å; Q353-V636 HydrophobicContact CG-CG2 3.83Å; L356-V636 HydrophobicContact CD1-CG1 3.65Å; L633-V636 WeakPolarHBondContact O-CA 3.26Å; L633-V636 WeakPolarHBondContact O-CB 3.49Å; L633-V636 PolarHBondContact O-N 2.8Å; V636-A638 PolarHBondContact O-N 3.29Å; V636-S639 WeakPolarHBondContact O-CB 3.39Å; V636-S639 PolarHBondContact O-N 3.34Å; V636-S639 PolarHBondContact O-OG 3.27Å; V636-L640 PolarHBondContact O-N 2.76Å
637	L	89.2	Confident	77.5	Confident	21 Å²	21	55.7 Å²	55.7	11%	0.11	29%	0.291	C	S	.	.	H	α-helix	trans	-58	-46.3	-179.9	-173.3	68.2	0	0	0	112	W211 D212 L214 L633 D634 S639 L640	W211-L637 HydrophobicContact CB-CD1 3.99Å; W211-L637 VanDerWaalsContact O-CD2 3.24Å; W211-L637 WeakPolarHBondContact O-CD2 3.49Å; W211-L637 WeakPolarHBondContact O-CG 3.44Å; D212-L637 WeakPolarHBondContact O-CD2 3.31Å; L214-L637 HydrophobicContact CD2-CD1 4.33Å; L214-L637 HydrophobicContact CG-CD1 4.45Å; L633-L637 WeakPolarHBondContact O-CB 3.34Å; L633-L637 PolarHBondContact O-N 3.08Å; D634-L637 PolarHBondContact O-N 3.35Å; L637-S639 PolarHBondContact O-N 2.99Å; L637-S639 VanDerWaalsContact O-N 3.16Å; L637-L640 HydrophobicContact CD1-CD1 4.4Å; L637-L640 WeakPolarHBondContact O-CB 3.34Å; L637-L640 PolarHBondContact O-N 3.47Å; L637-L640 VanDerWaalsContact O-N 3.08Å
638	A	89.3	Confident	80.6	Confident	56 Å²	56	45.6 Å²	45.6	46%	0.463	25%	0.247	S	C	.	.	H	α-helix	trans	-63.9	-18.3	177.2	0	0	0	0	0	113.8	D634 V636	D634-A638 VanDerWaalsContact O-CB 3.3Å; D634-A638 WeakPolarHBondContact O-CB 3.14Å; D634-A638 PolarHBondContact O-N 3.12Å; V636-A638 PolarHBondContact O-N 3.29Å
639	S	93	Very high	83.7	Confident	5 Å²	5	42 Å²	42	4%	0.035	22%	0.221	C	C	.	.	H	α-helix	trans	-87.8	-17.4	175.7	73.7	0	0	0	0	113.7	Q353 L601 F602 R635 V636 L637	Q353-S639 PolarHBondContact NE2-OG 2.89Å; Q353-S639 VanDerWaalsContact NE2-OG 3.11Å; Q353-S639 PolarHBondContact OE1-OG 3.29Å; L601-S639 CarbonylContact C-O 3.44Å; L601-S639 VanDerWaalsContact CA-O 3.23Å; L601-S639 WeakPolarHBondContact CA-O 3.49Å; L601-S639 VanDerWaalsContact CD2-O 3.25Å; L601-S639 WeakPolarHBondContact CD2-O 3.44Å; F602-S639 PolarHBondContact N-O 2.91Å; F602-S639 WeakPolarHBondContact O-CA 3.32Å; F602-S639 VanDerWaalsContact O-CB 3.25Å; F602-S639 WeakPolarHBondContact O-CB 3.35Å; R635-S639 PolarHBondContact O-N 3.24Å; V636-S639 WeakPolarHBondContact O-CB 3.39Å; V636-S639 PolarHBondContact O-N 3.34Å; V636-S639 PolarHBondContact O-OG 3.27Å; L637-S639 PolarHBondContact O-N 2.99Å; L637-S639 VanDerWaalsContact O-N 3.16Å
640	L	94.6	Very high	86.3	Confident	3 Å²	3	36 Å²	36	2%	0.016	19%	0.189	C	C	.	.	S	Bend	trans	-71.8	159.3	-176.8	-66.1	179.1	0	0	0	112.2	L214 L217 L356 A595 L601 F602 V636 L637	L214-L640 HydrophobicContact CD2-CD1 3.85Å; L217-L640 HydrophobicContact CD2-CD1 4.2Å; L356-L640 HydrophobicContact CD1-CD2 4.23Å; L356-L640 HydrophobicContact CD2-CD2 4.18Å; A595-L640 HydrophobicContact CB-CD1 3.78Å; A595-L640 HydrophobicContact CB-CD2 4.14Å; L601-L640 HydrophobicContact CD2-CD2 4.26Å; F602-L640 VanDerWaalsContact CD2-O 3.25Å; F602-L640 WeakPolarHBondContact CD2-O 3.35Å; V636-L640 PolarHBondContact O-N 2.76Å; L637-L640 HydrophobicContact CD1-CD1 4.4Å; L637-L640 WeakPolarHBondContact O-CB 3.34Å; L637-L640 PolarHBondContact O-N 3.47Å; L637-L640 VanDerWaalsContact O-N 3.08Å
641	P	95.8	Very high	88.6	Confident	4 Å²	4	32.1 Å²	32.1	3%	0.026	17%	0.165	C	C	.	.			trans	-50.6	140.9	168.6	-30.2	39.5	0	0	0	112.6	P594 S600 M645 T646	P594-P641 HydrophobicContact CB-CB 4.36Å; P594-P641 HydrophobicContact CB-CG 3.9Å; S600-P641 WeakPolarHBondContact O-CG 3.36Å; P641-M645 HydrophobicContact CB-CB 3.83Å; P641-M645 HydrophobicContact CB-CE 4.46Å; P641-T646 PolarHBondContact O-OG1 3.09Å
642	N	95.1	Very high	90.6	Very high	11 Å²	11	24.4 Å²	24.4	6%	0.059	13%	0.129	C	C	.	.			trans	-70.4	177.8	175.1	67.7	13.4	0	0	0	111.3	E208 E209 Q644 M645 T646	E208-N642 WeakPolarHBondContact CA-ND2 3.31Å; E208-N642 VanDerWaalsContact O-CB 3.31Å; E208-N642 WeakPolarHBondContact O-CB 3.49Å; E208-N642 PolarHBondContact O-ND2 2.52Å; E208-N642 VanDerWaalsContact O-ND2 3.1Å; E209-N642 VanDerWaalsContact O-CB 3.28Å; E209-N642 WeakPolarHBondContact O-CB 3.41Å; N642-Q644 PolarHBondContact O-N 3.41Å; N642-M645 PolarHBondContact O-N 2.8Å; N642-M645 VanDerWaalsContact OD1-CB 3.29Å; N642-M645 WeakPolarHBondContact OD1-CB 3.33Å; N642-M645 WeakPolarHBondContact OD1-CG 3.39Å; N642-M645 PolarHBondContact OD1-N 2.69Å; N642-T646 WeakPolarHBondContact O-CB 3.44Å; N642-T646 PolarHBondContact O-N 3.09Å; N642-T646 PolarHBondContact O-OG1 2.96Å
643	R	96.3	Very high	92.2	Very high	28 Å²	28	23.6 Å²	23.6	11%	0.106	12%	0.12	C	C	.	.	H	α-helix	trans	-57.2	-49.6	-177.3	-69.9	163.3	-178.4	-96.6	6.7	112.3	E204 S207 E209 S210 W211 D212 M645 T646 V647	E204-R643 VanDerWaalsContact CD-NH1 3.35Å; E204-R643 CarbonylContact O-C 3.29Å; E204-R643 VanDerWaalsContact O-C 3.29Å; E204-R643 WeakPolarHBondContact O-CB 3.22Å; E204-R643 IonicContact OE1-NH1 3.5Å; E204-R643 PolarHBondContact OE1-NH1 3.35Å; E204-R643 WeakPolarHBondContact OE2-CD 3.46Å; E204-R643 WeakPolarHBondContact OE2-CG 3.43Å; E204-R643 IonicContact OE2-CZ 3.26Å; E204-R643 IonicContact OE2-NE 2.84Å; E204-R643 IonicContact OE2-NH1 3.2Å; E204-R643 PolarHBondContact OE2-NH1 2.98Å; S207-R643 WeakPolarHBondContact OG-CD 3.43Å; E209-R643 PolarHBondContact O-N 3.34Å; E209-R643 VanDerWaalsContact O-N 3.09Å; S210-R643 PolarHBondContact O-NE 2.96Å; W211-R643 HydrophobicContact CD2-CG 4.07Å; W211-R643 HydrophobicContact CE3-CG 4.39Å; W211-R643 HydrophobicContact CH2-CG 4.26Å; W211-R643 HydrophobicContact CZ2-CB 4.38Å; W211-R643 HydrophobicContact CZ2-CG 3.95Å; W211-R643 HydrophobicContact CZ3-CG 4.48Å; D212-R643 IonicContact OD1-NH2 3.71Å; D212-R643 IonicContact OD2-NH2 2.83Å; D212-R643 PolarHBondContact OD2-NH2 3.46Å; R643-M645 PolarHBondContact O-N 2.94Å; R643-T646 WeakPolarHBondContact O-CB 3.39Å; R643-T646 PolarHBondContact O-N 3.3Å; R643-V647 WeakPolarHBondContact O-CG2 3.41Å; R643-V647 PolarHBondContact O-N 2.93Å
644	Q	96.5	Very high	93	Very high	50 Å²	50	23 Å²	23	23%	0.234	11%	0.114	C	C	.	.	H	α-helix	trans	-56.1	-53.2	176.7	172.7	177.2	45.4	0	0	112.6	E204 Y205 S207 N642 T646 V647 E648	E204-Q644 WeakPolarHBondContact O-CA 3.5Å; E204-Q644 PolarHBondContact O-N 3.28Å; E204-Q644 VanDerWaalsContact O-N 3.11Å; Y205-Q644 WeakPolarHBondContact O-CB 3.33Å; Y205-Q644 WeakPolarHBondContact O-CG 3.38Å; Y205-Q644 PolarHBondContact O-NE2 3.48Å; S207-Q644 VanDerWaalsContact O-CB 3.3Å; S207-Q644 WeakPolarHBondContact O-CB 3.18Å; S207-Q644 PolarHBondContact O-N 3.45Å; N642-Q644 PolarHBondContact O-N 3.41Å; Q644-T646 PolarHBondContact O-N 3.45Å; Q644-V647 PolarHBondContact O-N 2.93Å; Q644-E648 PolarHBondContact O-N 3.33Å
645	M	96.5	Very high	93.5	Very high	16 Å²	16	20 Å²	20	8%	0.079	10%	0.098	C	C	.	.	H	α-helix	trans	-62.3	-33.5	-178.7	-69.9	179.4	66.7	0	0	112.1	N426 S600 F602 P641 N642 R643 T649	N426-M645 HydrophobicContact CB-CE 4.32Å; N426-M645 WeakPolarHBondContact OD1-CA 3.42Å; N426-M645 WeakPolarHBondContact OD1-CB 3.11Å; N426-M645 VanDerWaalsContact OD1-CG 3.28Å; N426-M645 WeakPolarHBondContact OD1-CG 3.44Å; N426-M645 PolarHBondContact OD1-O 2.89Å; S600-M645 VanDerWaalsContact CB-CE 3.47Å; S600-M645 WeakPolarHBondContact OG-CE 3.3Å; F602-M645 HydrophobicContact CE2-SD 4.03Å; F602-M645 HydrophobicContact CZ-SD 3.98Å; P641-M645 HydrophobicContact CB-CB 3.83Å; P641-M645 HydrophobicContact CB-CE 4.46Å; N642-M645 PolarHBondContact O-N 2.8Å; N642-M645 VanDerWaalsContact OD1-CB 3.29Å; N642-M645 WeakPolarHBondContact OD1-CB 3.33Å; N642-M645 WeakPolarHBondContact OD1-CG 3.39Å; N642-M645 PolarHBondContact OD1-N 2.69Å; R643-M645 PolarHBondContact O-N 2.94Å; M645-T649 WeakPolarHBondContact O-CB 3.49Å; M645-T649 PolarHBondContact O-N 2.98Å; M645-T649 PolarHBondContact O-OG1 2.95Å
646	T	96	Very high	93.8	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.006	8%	0.076	C	C	.	.	H	α-helix	trans	-64	-52.3	174.3	-60.2	0	0	0	0	110.3	W211 L217 P594 P641 N642 R643 Q644 E648 T649 V650	W211-T646 HydrophobicContact CZ2-CG2 3.81Å; W211-T646 PolarHBondContact NE1-OG1 2.95Å; L217-T646 HydrophobicContact CD1-CG2 3.77Å; P594-T646 HydrophobicContact CG-CG2 4.05Å; P641-T646 PolarHBondContact O-OG1 3.09Å; N642-T646 WeakPolarHBondContact O-CB 3.44Å; N642-T646 PolarHBondContact O-N 3.09Å; N642-T646 PolarHBondContact O-OG1 2.96Å; R643-T646 WeakPolarHBondContact O-CB 3.39Å; R643-T646 PolarHBondContact O-N 3.3Å; Q644-T646 PolarHBondContact O-N 3.45Å; T646-E648 VanDerWaalsContact C-N 3.35Å; T646-E648 PolarHBondContact O-N 3.34Å; T646-T649 PolarHBondContact O-N 3.42Å; T646-V650 HydrophobicContact CG2-CG2 4.26Å; T646-V650 WeakPolarHBondContact O-CB 3.42Å; T646-V650 WeakPolarHBondContact O-CG2 3.49Å; T646-V650 PolarHBondContact O-N 3.03Å
647	V	96.4	Very high	93.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-57.6	-47.5	178.3	174.6	0	0	0	0	110.9	I196 L201 E204 Y205 F220 R643 Q644 V650 L651	I196-V647 HydrophobicContact CD1-CG1 4.3Å; I196-V647 HydrophobicContact CG1-CG1 4.18Å; L201-V647 HydrophobicContact CD1-CG1 4.41Å; L201-V647 HydrophobicContact CD2-CG2 4.32Å; E204-V647 HydrophobicContact CB-CG2 3.73Å; Y205-V647 HydrophobicContact CD2-CB 4.25Å; Y205-V647 HydrophobicContact CD2-CG1 3.84Å; Y205-V647 HydrophobicContact CG-CG1 4.41Å; F220-V647 HydrophobicContact CE2-CG2 3.92Å; F220-V647 HydrophobicContact CZ-CG2 4.02Å; R643-V647 WeakPolarHBondContact O-CG2 3.41Å; R643-V647 PolarHBondContact O-N 2.93Å; Q644-V647 PolarHBondContact O-N 2.93Å; V647-V650 PolarHBondContact O-N 3.32Å; V647-L651 HydrophobicContact CG1-CD1 3.68Å; V647-L651 HydrophobicContact CG1-CG 4.21Å; V647-L651 WeakPolarHBondContact O-CB 3.35Å; V647-L651 WeakPolarHBondContact O-CG 3.46Å; V647-L651 PolarHBondContact O-N 3.32Å
648	E	96.1	Very high	93.2	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.019	11%	0.107	C	C	.	.	H	α-helix	trans	-57.1	-55.4	177.1	-75.4	-170.2	154.9	0	0	111.5	Y205 R425 N426 Q644 T646 V650 L651 Y652	Y205-E648 HydrophobicContact CD2-CG 4.24Å; Y205-E648 HydrophobicContact CE2-CG 3.56Å; R425-E648 IonicContact CZ-OE1 3.66Å; R425-E648 IonicContact NE-OE1 3.81Å; R425-E648 PolarHBondContact NE-OE1 3.46Å; R425-E648 IonicContact NE-OE2 2.83Å; R425-E648 PolarHBondContact NE-OE2 3.32Å; R425-E648 IonicContact NH2-OE1 2.73Å; R425-E648 PolarHBondContact NH2-OE1 2.84Å; R425-E648 IonicContact NH2-OE2 3.19Å; N426-E648 PolarHBondContact ND2-OE2 2.98Å; Q644-E648 PolarHBondContact O-N 3.33Å; T646-E648 VanDerWaalsContact C-N 3.35Å; T646-E648 PolarHBondContact O-N 3.34Å; E648-V650 VanDerWaalsContact C-N 3.31Å; E648-V650 PolarHBondContact O-N 3.14Å; E648-L651 PolarHBondContact O-N 2.95Å; E648-Y652 HydrophobicContact CB-CD2 4.41Å; E648-Y652 WeakPolarHBondContact O-CB 3.31Å; E648-Y652 VanDerWaalsContact O-CD2 3.27Å; E648-Y652 WeakPolarHBondContact O-CD2 3.42Å; E648-Y652 PolarHBondContact O-N 3.04Å
649	T	95.8	Very high	92.7	Very high	5 Å²	5	19.7 Å²	19.7	3%	0.031	9%	0.091	C	C	.	.	H	α-helix	trans	-60.8	-42.7	-175.9	-57.9	0	0	0	0	111.4	Y591 M645 T646 T653	Y591-T649 HydrophobicContact CD1-CG2 4.44Å; M645-T649 WeakPolarHBondContact O-CB 3.49Å; M645-T649 PolarHBondContact O-N 2.98Å; M645-T649 PolarHBondContact O-OG1 2.95Å; T646-T649 PolarHBondContact O-N 3.42Å; T649-T653 HydrophobicContact CG2-CG2 4.4Å; T649-T653 VanDerWaalsContact O-CB 3.3Å; T649-T653 WeakPolarHBondContact O-CB 3.25Å; T649-T653 WeakPolarHBondContact O-CG2 3.23Å; T649-T653 PolarHBondContact O-N 3.38Å; T649-T653 VanDerWaalsContact O-N 3.17Å; T649-T653 PolarHBondContact O-OG1 3.2Å
650	V	95.4	Very high	91.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.7	-51.5	178.8	172.9	0	0	0	0	111.2	F220 Y221 I226 F588 G592 T646 V647 E648 T653 R654	F220-V650 HydrophobicContact CE1-CB 4.47Å; F220-V650 HydrophobicContact CE1-CG1 4.21Å; F220-V650 HydrophobicContact CE1-CG2 4.25Å; Y221-V650 HydrophobicContact CE1-CG1 4.22Å; Y221-V650 HydrophobicContact CE1-CG2 4.35Å; I226-V650 HydrophobicContact CG2-CG1 4.08Å; F588-V650 HydrophobicContact CE2-CG1 4.26Å; G592-V650 WeakPolarHBondContact O-CG2 3.34Å; T646-V650 HydrophobicContact CG2-CG2 4.26Å; T646-V650 WeakPolarHBondContact O-CB 3.42Å; T646-V650 WeakPolarHBondContact O-CG2 3.49Å; T646-V650 PolarHBondContact O-N 3.03Å; V647-V650 PolarHBondContact O-N 3.32Å; E648-V650 VanDerWaalsContact C-N 3.31Å; E648-V650 PolarHBondContact O-N 3.14Å; V650-T653 PolarHBondContact O-OG1 2.78Å; V650-R654 WeakPolarHBondContact O-CB 3.46Å; V650-R654 PolarHBondContact O-N 2.67Å
651	L	95.5	Very high	91.2	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.037	14%	0.135	C	C	.	.	H	α-helix	trans	-71.1	-44.2	-173.7	-66.8	-176.7	0	0	0	112.2	V192 V195 I196 L201 V647 E648 R654 L655	V192-L651 HydrophobicContact CG1-CB 4.05Å; V192-L651 HydrophobicContact CG1-CD1 4.07Å; V192-L651 HydrophobicContact CG2-CB 4.49Å; V195-L651 HydrophobicContact CG1-CD1 4.41Å; V195-L651 HydrophobicContact CG1-CD2 3.96Å; I196-L651 HydrophobicContact CD1-CD1 3.94Å; I196-L651 HydrophobicContact CG1-CD1 3.4Å; L201-L651 HydrophobicContact CD1-CD1 4.03Å; L201-L651 HydrophobicContact CD1-CD2 4.33Å; V647-L651 HydrophobicContact CG1-CD1 3.68Å; V647-L651 HydrophobicContact CG1-CG 4.21Å; V647-L651 WeakPolarHBondContact O-CB 3.35Å; V647-L651 WeakPolarHBondContact O-CG 3.46Å; V647-L651 PolarHBondContact O-N 3.32Å; E648-L651 PolarHBondContact O-N 2.95Å; L651-R654 PolarHBondContact O-N 2.85Å; L651-L655 VanDerWaalsContact O-CB 3.31Å; L651-L655 WeakPolarHBondContact O-CB 3.33Å; L651-L655 WeakPolarHBondContact O-CG 3.27Å; L651-L655 PolarHBondContact O-N 3.4Å
652	Y	95.5	Very high	90.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.2	-45.2	179	-83.6	-87.1	0	0	0	111.4	I188 E189 V192 W416 W422 E648 R654 A656	I188-Y652 HydrophobicContact CD1-CD1 3.84Å; I188-Y652 HydrophobicContact CG1-CD1 4.17Å; I188-Y652 HydrophobicContact CG1-CE1 4.36Å; E189-Y652 HydrophobicContact CB-CE1 4.37Å; E189-Y652 VanDerWaalsContact CG-OH 3.3Å; E189-Y652 WeakPolarHBondContact CG-OH 3.46Å; E189-Y652 PolarHBondContact OE1-OH 3.19Å; V192-Y652 HydrophobicContact CB-CE2 4.44Å; V192-Y652 HydrophobicContact CG1-CD2 4.29Å; V192-Y652 HydrophobicContact CG1-CE2 3.94Å; V192-Y652 HydrophobicContact CG2-CD1 4.1Å; V192-Y652 HydrophobicContact CG2-CD2 4.15Å; V192-Y652 HydrophobicContact CG2-CE1 4.07Å; V192-Y652 HydrophobicContact CG2-CE2 4.12Å; V192-Y652 HydrophobicContact CG2-CG 4.16Å; W416-Y652 HydrophobicContact CZ2-CD1 4.25Å; W416-Y652 HydrophobicContact CZ2-CE1 4.35Å; W422-Y652 HydrophobicContact CB-CD1 4.24Å; W422-Y652 HydrophobicContact CB-CD2 3.63Å; W422-Y652 HydrophobicContact CB-CE1 4.18Å; W422-Y652 HydrophobicContact CB-CE2 3.56Å; W422-Y652 HydrophobicContact CB-CG 3.96Å; W422-Y652 AromaticContact CD1-CD1 3.18Å; W422-Y652 AromaticContact CD1-CE1 3.48Å; W422-Y652 VanDerWaalsContact CD1-CE1 3.48Å; W422-Y652 AromaticContact CD1-CG 3.52Å; W422-Y652 HydrophobicContact CD2-CD1 4.35Å; W422-Y652 HydrophobicContact CD2-CD2 4.33Å; W422-Y652 AromaticContact CD2-CG 3.93Å; W422-Y652 HydrophobicContact CD2-CG 3.93Å; W422-Y652 AromaticContact CG-CD1 3.68Å; W422-Y652 HydrophobicContact CG-CD1 3.68Å; W422-Y652 AromaticContact CG-CD2 3.74Å; W422-Y652 HydrophobicContact CG-CD2 3.74Å; W422-Y652 HydrophobicContact CG-CE1 4.01Å; W422-Y652 HydrophobicContact CG-CE2 4.06Å; W422-Y652 AromaticContact CG-CG 3.52Å; W422-Y652 HydrophobicContact CG-CG 3.52Å; W422-Y652 AromaticContact NE1-CD1 3.58Å; W422-Y652 AromaticContact NE1-CG 3.88Å; E648-Y652 HydrophobicContact CB-CD2 4.41Å; E648-Y652 WeakPolarHBondContact O-CB 3.31Å; E648-Y652 VanDerWaalsContact O-CD2 3.27Å; E648-Y652 WeakPolarHBondContact O-CD2 3.42Å; E648-Y652 PolarHBondContact O-N 3.04Å; Y652-R654 VanDerWaalsContact C-N 3.31Å; Y652-R654 PolarHBondContact O-N 3.23Å; Y652-A656 WeakPolarHBondContact O-CB 2.92Å; Y652-A656 PolarHBondContact O-N 2.73Å
653	T	94.2	Very high	90.8	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	15%	0.148	C	C	.	.	H	α-helix	trans	-67.4	-34	178.5	60.1	0	0	0	0	111.8	W422 M587 Y591 T649 V650 S657	W422-T653 HydrophobicContact CH2-CG2 4.12Å; M587-T653 HydrophobicContact CE-CG2 4.14Å; Y591-T653 HydrophobicContact CD2-CG2 4.32Å; Y591-T653 HydrophobicContact CG-CG2 4.18Å; T649-T653 HydrophobicContact CG2-CG2 4.4Å; T649-T653 VanDerWaalsContact O-CB 3.3Å; T649-T653 WeakPolarHBondContact O-CB 3.25Å; T649-T653 WeakPolarHBondContact O-CG2 3.23Å; T649-T653 PolarHBondContact O-N 3.38Å; T649-T653 VanDerWaalsContact O-N 3.17Å; T649-T653 PolarHBondContact O-OG1 3.2Å; V650-T653 PolarHBondContact O-OG1 2.78Å; T653-S657 PolarHBondContact O-N 2.83Å
654	R	93.5	Very high	90.8	Very high	50 Å²	50	30.4 Å²	30.4	19%	0.189	15%	0.145	C	C	.	.	H	α-helix	trans	-70.2	-50.3	176.4	-174.1	53.7	177.1	140.5	-20.2	112.6	F588 V650 L651 Y652 S657 R658	F588-R654 HydrophobicContact CD2-CB 3.52Å; F588-R654 HydrophobicContact CD2-CG 4.14Å; F588-R654 HydrophobicContact CE2-CB 3.57Å; F588-R654 HydrophobicContact CE2-CG 3.98Å; F588-R654 HydrophobicContact CG-CB 4.27Å; F588-R654 HydrophobicContact CZ-CB 4.35Å; F588-R654 HydrophobicContact CZ-CG 4.27Å; V650-R654 WeakPolarHBondContact O-CB 3.46Å; V650-R654 PolarHBondContact O-N 2.67Å; L651-R654 PolarHBondContact O-N 2.85Å; Y652-R654 VanDerWaalsContact C-N 3.31Å; Y652-R654 PolarHBondContact O-N 3.23Å; R654-S657 PolarHBondContact NH1-OG 2.72Å; R654-S657 PolarHBondContact O-N 3.48Å; R654-S657 PolarHBondContact O-OG 2.94Å; R654-R658 PolarHBondContact O-N 3.19Å
655	L	91.9	Very high	90.7	Very high	23 Å²	23	28 Å²	28	12%	0.12	13%	0.134	C	C	.	.	H	α-helix	trans	-71.6	-38	-174.6	-68.2	173.3	0	0	0	111.1	I188 L191 V192 V195 L651 S657 R658 V659	I188-L655 HydrophobicContact CD1-CB 4.23Å; L191-L655 HydrophobicContact CD2-CD1 4.46Å; L191-L655 HydrophobicContact CD2-CD2 4.09Å; L191-L655 HydrophobicContact CG-CD1 4.18Å; L191-L655 HydrophobicContact CG-CD2 4.42Å; V192-L655 HydrophobicContact CB-CD1 4.25Å; V192-L655 HydrophobicContact CG2-CD1 3.58Å; V195-L655 HydrophobicContact CG2-CD1 4.35Å; L651-L655 VanDerWaalsContact O-CB 3.31Å; L651-L655 WeakPolarHBondContact O-CB 3.33Å; L651-L655 WeakPolarHBondContact O-CG 3.27Å; L651-L655 PolarHBondContact O-N 3.4Å; L655-S657 VanDerWaalsContact C-N 3.25Å; L655-S657 PolarHBondContact O-N 2.8Å; L655-R658 PolarHBondContact O-N 2.96Å; L655-V659 PolarHBondContact O-N 2.74Å
656	A	86.5	Confident	90.6	Very high	5 Å²	5	33.1 Å²	33.1	4%	0.041	16%	0.158	C	C	.	.	H	α-helix	trans	-56	-40.4	171.4	0	0	0	0	0	112.3	I188 Y652 R658 I722	I188-A656 HydrophobicContact CD1-CB 4Å; Y652-A656 WeakPolarHBondContact O-CB 2.92Å; Y652-A656 PolarHBondContact O-N 2.73Å; A656-R658 PolarHBondContact O-N 2.87Å; A656-I722 HydrophobicContact CB-CD1 4.2Å; A656-I722 HydrophobicContact CB-CG1 3.87Å
657	S	81.6	Confident	90.4	Very high	30 Å²	30	34.2 Å²	34.2	21%	0.21	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-15.1	176.6	76.1	0	0	0	0	114.8	T653 R654 L655	T653-S657 PolarHBondContact O-N 2.83Å; R654-S657 PolarHBondContact NH1-OG 2.72Å; R654-S657 PolarHBondContact O-N 3.48Å; R654-S657 PolarHBondContact O-OG 2.94Å; L655-S657 VanDerWaalsContact C-N 3.25Å; L655-S657 PolarHBondContact O-N 2.8Å
658	R	81.9	Confident	89.9	Confident	149 Å²	149	38.6 Å²	38.6	56%	0.562	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-8.9	-175	-77.3	-166.7	170.2	-172	1.5	114.7	R654 L655 A656 Q660	R654-R658 PolarHBondContact O-N 3.19Å; L655-R658 PolarHBondContact O-N 2.96Å; A656-R658 PolarHBondContact O-N 2.87Å; R658-Q660 PolarHBondContact O-N 3.03Å
659	V	79.4	Confident	89.5	Confident	21 Å²	21	39.5 Å²	39.5	13%	0.127	19%	0.189	C	C	.	.	S	Bend	trans	-55.4	130.2	174.2	179.7	0	0	0	0	108.2	R185 W186 I188 L655 Q661 I722	R185-V659 HydrophobicContact CB-CG1 4.32Å; R185-V659 HydrophobicContact CG-CG1 4.07Å; W186-V659 HydrophobicContact CE3-CG1 3.86Å; W186-V659 HydrophobicContact CH2-CG1 4.36Å; W186-V659 HydrophobicContact CZ3-CB 4.19Å; W186-V659 HydrophobicContact CZ3-CG1 3.69Å; I188-V659 HydrophobicContact CG2-CG2 3.7Å; L655-V659 PolarHBondContact O-N 2.74Å; V659-Q661 WeakPolarHBondContact O-CG 3.28Å; V659-I722 HydrophobicContact CG2-CD1 3.71Å; V659-I722 HydrophobicContact CG2-CG1 4.19Å
660	Q	74.3	Confident	89.1	Confident	170 Å²	170	42 Å²	42	79%	0.794	20%	0.203	S	C	*	.			trans	-59.2	136.7	-178.9	-175.8	176.2	-0.1	0	0	110.6	R658	R658-Q660 PolarHBondContact O-N 3.03Å
661	Q	80.1	Confident	88.8	Confident	41 Å²	41	43.1 Å²	43.1	19%	0.192	21%	0.207	C	C	.	.			trans	-137.7	165.8	-178	-45.9	-169.5	-41.3	0	0	110.9	R584 V659 P717	R584-Q661 VanDerWaalsContact CZ-NE2 3.33Å; V659-Q661 WeakPolarHBondContact O-CG 3.28Å; Q661-P717 HydrophobicContact CB-CB 4.08Å
662	S	88.8	Confident	88.7	Confident	14 Å²	14	43.4 Å²	43.4	10%	0.098	21%	0.209	C	C	.	.			trans	-67.4	164.2	167.7	62	0	0	0	0	111.7	P717 N718 Y719	S662-P717 VanDerWaalsContact O-CA 3.28Å; S662-P717 WeakPolarHBondContact O-CA 3.14Å; S662-N718 WeakPolarHBondContact CB-ND2 3.45Å; S662-N718 WeakPolarHBondContact OG-CB 3.3Å; S662-N718 PolarHBondContact OG-N 3.26Å; S662-N718 PolarHBondContact OG-ND2 2.84Å; S662-N718 VanDerWaalsContact OG-ND2 3.08Å; S662-Y719 WeakPolarHBondContact OG-CE1 3.2Å
663	V	94.1	Very high	88.5	Confident	43 Å²	43	44.6 Å²	44.6	26%	0.261	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-105.9	139.8	169.7	177.4	0	0	0	0	107.9	G665 Q666 M716 N718	V663-G665 PolarHBondContact O-N 2.64Å; V663-Q666 HydrophobicContact CB-CB 4.3Å; V663-Q666 HydrophobicContact CB-CG 4.32Å; V663-Q666 CarbonylContact O-C 3.56Å; V663-Q666 WeakPolarHBondContact O-CA 3.3Å; V663-Q666 WeakPolarHBondContact O-CB 3.41Å; V663-Q666 PolarHBondContact O-N 3.32Å; V663-Q666 VanDerWaalsContact O-O 3.13Å; V663-M716 CarbonylContact C-O 3.55Å; V663-M716 WeakPolarHBondContact CA-O 3.32Å; V663-N718 PolarHBondContact O-ND2 3.3Å
664	L	96.6	Very high	88.3	Confident	7 Å²	7	47.2 Å²	47.2	4%	0.037	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	127.4	-176.5	-177.8	59.8	0	0	0	110.9	I480 I576 Q666 F684 L688 M716 N718	I480-L664 HydrophobicContact CG2-CD2 4.09Å; I576-L664 HydrophobicContact CD1-CD1 4.07Å; I576-L664 HydrophobicContact CG1-CD1 4.41Å; I576-L664 HydrophobicContact CG2-CD1 3.69Å; I576-L664 HydrophobicContact CG2-CD2 3.88Å; I576-L664 HydrophobicContact CG2-CG 4.4Å; L664-Q666 VanDerWaalsContact C-N 3.27Å; L664-Q666 PolarHBondContact O-N 3.21Å; L664-F684 HydrophobicContact CG-CZ 4.41Å; L664-L688 HydrophobicContact CB-CD1 4.31Å; L664-L688 HydrophobicContact CD2-CD1 4.21Å; L664-L688 HydrophobicContact CD2-CD2 3.83Å; L664-L688 HydrophobicContact CG-CD1 3.79Å; L664-L688 HydrophobicContact CG-CD2 4.35Å; L664-L688 WeakPolarHBondContact O-CD1 3.27Å; L664-M716 HydrophobicContact CB-CB 4.08Å; L664-M716 WeakPolarHBondContact CB-O 3.27Å; L664-M716 HydrophobicContact CD2-CB 4.4Å; L664-M716 HydrophobicContact CD2-CE 4.37Å; L664-M716 HydrophobicContact CD2-SD 4.37Å; L664-M716 PolarHBondContact N-O 2.73Å; L664-N718 WeakPolarHBondContact CA-OD1 3.39Å
665	G	95.5	Very high	88.2	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-10.7	-174.9	0	0	0	0	0	114.9	V663 R685 N718	V663-G665 PolarHBondContact O-N 2.64Å; G665-R685 PolarHBondContact O-NE 3.01Å; G665-R685 PolarHBondContact O-NH2 3.05Å; G665-R685 VanDerWaalsContact O-NH2 3.14Å; G665-N718 PolarHBondContact N-OD1 2.7Å
666	Q	94.4	Very high	88.4	Confident	123 Å²	123	59.8 Å²	59.8	58%	0.575	28%	0.28	S	S	*	.	B	Isolated β-bridge	trans	-104	98.9	171.8	-57.3	-177.3	12.4	0	0	109.8	V663 L664 N718	V663-Q666 HydrophobicContact CB-CB 4.3Å; V663-Q666 HydrophobicContact CB-CG 4.32Å; V663-Q666 CarbonylContact O-C 3.56Å; V663-Q666 WeakPolarHBondContact O-CA 3.3Å; V663-Q666 WeakPolarHBondContact O-CB 3.41Å; V663-Q666 PolarHBondContact O-N 3.32Å; V663-Q666 VanDerWaalsContact O-O 3.13Å; L664-Q666 VanDerWaalsContact C-N 3.27Å; L664-Q666 PolarHBondContact O-N 3.21Å; Q666-N718 PolarHBondContact O-ND2 3.46Å
667	Y	91.5	Very high	88.8	Confident	25 Å²	25	59.6 Å²	59.6	10%	0.098	28%	0.278	C	S	.	.			trans	-90	141.8	-174.9	-53.9	-56.8	0	0	0	111.8	P401 H402 S669 L681 N718	P401-Y667 HydrophobicContact CB-CD1 3.42Å; P401-Y667 VanDerWaalsContact CB-CD1 3.42Å; P401-Y667 HydrophobicContact CB-CE1 3.58Å; P401-Y667 HydrophobicContact CB-CG 4.08Å; P401-Y667 HydrophobicContact CG-CD1 4.12Å; P401-Y667 HydrophobicContact CG-CE1 4.18Å; P401-Y667 HydrophobicContact CG-CG 4.38Å; H402-Y667 AromaticContact CE1-CE1 3.78Å; H402-Y667 AromaticContact NE2-CE1 3.95Å; H402-Y667 PolarHBondContact NE2-OH 3.46Å; Y667-S669 VanDerWaalsContact C-N 3.33Å; Y667-S669 WeakPolarHBondContact CB-O 3.14Å; Y667-L681 HydrophobicContact CD2-CD1 4.49Å; Y667-L681 HydrophobicContact CD2-CD2 4.23Å; Y667-L681 HydrophobicContact CE2-CD1 3.6Å; Y667-L681 HydrophobicContact CE2-CD2 3.98Å; Y667-L681 HydrophobicContact CE2-CG 4.47Å; Y667-N718 HydrophobicContact CD1-CB 4.35Å; Y667-N718 HydrophobicContact CE1-CB 4.33Å; Y667-N718 WeakPolarHBondContact CE1-OD1 3.36Å
668	E	85.1	Confident	89.5	Confident	92 Å²	92	60.4 Å²	60.4	43%	0.43	28%	0.282	S	S	.	.	S	Bend	trans	-66.2	-38.8	173.6	-61.9	179.9	158	0	0	111.1	R404 Y719	R404-E668 IonicContact NE-OE2 3.92Å; E668-Y719 PolarHBondContact OE1-OH 3.21Å
669	S	87.2	Confident	90.3	Very high	23 Å²	23	57.7 Å²	57.7	16%	0.161	28%	0.282	C	S	.	.	S	Bend	trans	-119	126.8	172.6	-67.6	0	0	0	0	109.3	D96 Y667 F671	D96-S669 WeakPolarHBondContact OD2-CB 3.37Å; D96-S669 PolarHBondContact OD2-OG 3.27Å; Y667-S669 VanDerWaalsContact C-N 3.33Å; Y667-S669 WeakPolarHBondContact CB-O 3.14Å; S669-F671 WeakPolarHBondContact O-CD2 3.44Å
670	D	87.4	Confident	91.1	Very high	58 Å²	58	58.5 Å²	58.5	31%	0.31	29%	0.285	S	S	.	.			trans	-77	125.7	170.5	-67.5	-47.4	0	0	0	108.6	R97 H119 F673	R97-D670 VanDerWaalsContact NH1-N 3.16Å; R97-D670 PolarHBondContact NH1-O 2.89Å; H119-D670 PolarHBondContact CE1-O 3Å; H119-D670 PolarHBondContact NE2-O 3.38Å; H119-D670 VanDerWaalsContact NE2-O 3.09Å; D670-F673 HydrophobicContact CB-CE1 4.15Å; D670-F673 HydrophobicContact CB-CE2 4.47Å; D670-F673 HydrophobicContact CB-CZ 3.82Å; D670-F673 WeakPolarHBondContact O-CE2 3.04Å; D670-F673 WeakPolarHBondContact O-CZ 3.23Å
671	F	90.4	Very high	92.2	Very high	22 Å²	22	50.6 Å²	50.6	10%	0.096	25%	0.248	C	C	.	.			trans	-105.8	-15	171.2	-69.8	-97.8	0	0	0	112.1	H119 Y396 H397 A400 P401 S669	H119-F671 HydrophobicContact CB-CD1 4.37Å; H119-F671 HydrophobicContact CB-CE1 3.61Å; H119-F671 HydrophobicContact CB-CZ 4.2Å; H119-F671 AromaticContact CD2-CD1 3.51Å; H119-F671 AromaticContact CD2-CE1 3.64Å; H119-F671 AromaticContact CG-CD1 3.8Å; H119-F671 AromaticContact CG-CE1 3.41Å; H119-F671 VanDerWaalsContact CG-CE1 3.41Å; H119-F671 AromaticContact CG-CZ 3.98Å; H119-F671 AromaticContact ND1-CE1 3.88Å; H119-F671 AromaticContact NE2-CD1 3.86Å; Y396-F671 HydrophobicContact CE1-CD1 4.39Å; Y396-F671 AromaticContact CE1-CE1 4Å; Y396-F671 HydrophobicContact CE1-CE1 4Å; H397-F671 HydrophobicContact CB-CB 3.78Å; H397-F671 PolarHBondContact ND1-O 3.46Å; A400-F671 HydrophobicContact CB-CE1 4.27Å; A400-F671 HydrophobicContact CB-CZ 4.28Å; P401-F671 HydrophobicContact CG-CD2 3.69Å; P401-F671 HydrophobicContact CG-CE2 4.1Å; P401-F671 HydrophobicContact CG-CG 4.49Å; S669-F671 WeakPolarHBondContact O-CD2 3.44Å
672	I	93.2	Very high	93.1	Very high	13 Å²	13	52.5 Å²	52.5	7%	0.067	26%	0.26	C	S	.	.			trans	-102	98.3	-172.9	-60.5	174.9	0	0	0	108.8	F487 Y491 A677 V678 L681	F487-I672 HydrophobicContact CZ-CD1 3.94Å; Y491-I672 HydrophobicContact CD2-CD1 4.36Å; Y491-I672 HydrophobicContact CE2-CD1 3.72Å; Y491-I672 HydrophobicContact CE2-CG1 3.98Å; Y491-I672 HydrophobicContact CE2-CG2 4.14Å; I672-A677 HydrophobicContact CG2-CB 3.4Å; I672-V678 HydrophobicContact CG2-CG2 4.41Å; I672-V678 VanDerWaalsContact O-CG2 3.27Å; I672-V678 WeakPolarHBondContact O-CG2 3.44Å; I672-L681 HydrophobicContact CD1-CD2 4.43Å
673	F	90.5	Very high	93.5	Very high	25 Å²	25	56.6 Å²	56.6	11%	0.11	28%	0.277	C	S	.	.			trans	-108.2	-23.5	-178.4	-64.7	-82.3	0	0	0	114.2	F115 P117 H119 C133 D670 K675	F115-F673 HydrophobicContact CB-CB 4.43Å; F115-F673 HydrophobicContact CB-CD1 3.66Å; F115-F673 HydrophobicContact CB-CE1 4.23Å; F115-F673 HydrophobicContact CB-CG 4.18Å; F115-F673 AromaticContact CD1-CD1 3.99Å; F115-F673 HydrophobicContact CD1-CD1 3.99Å; F115-F673 HydrophobicContact CD1-CE1 4.1Å; F115-F673 AromaticContact CG-CD1 3.92Å; F115-F673 HydrophobicContact CG-CD1 3.92Å; F115-F673 HydrophobicContact CG-CE1 4.44Å; P117-F673 HydrophobicContact CB-CD2 3.78Å; P117-F673 HydrophobicContact CB-CE2 3.56Å; P117-F673 HydrophobicContact CB-CZ 4.47Å; P117-F673 HydrophobicContact CG-CD2 3.97Å; P117-F673 HydrophobicContact CG-CE2 4.26Å; H119-F673 AromaticContact NE2-CE2 3.75Å; C133-F673 HydrophobicContact CB-CB 4.02Å; D670-F673 HydrophobicContact CB-CE1 4.15Å; D670-F673 HydrophobicContact CB-CE2 4.47Å; D670-F673 HydrophobicContact CB-CZ 3.82Å; D670-F673 WeakPolarHBondContact O-CE2 3.04Å; D670-F673 WeakPolarHBondContact O-CZ 3.23Å; F673-K675 PolarHBondContact O-N 3.32Å; F673-K675 VanDerWaalsContact O-N 3.14Å
674	K	90.8	Very high	93.7	Very high	58 Å²	58	54.6 Å²	54.6	25%	0.252	27%	0.265	S	S	.	.	S	Bend	trans	-61.2	122.7	179	-79.5	-167.6	175.6	172.1	0	109.8	C133 A135 F495 K676 A677 V678	C133-K674 HydrophobicContact CB-CG 4.25Å; C133-K674 WeakPolarHBondContact O-CE 3.37Å; C133-K674 WeakPolarHBondContact O-CG 3.01Å; A135-K674 HydrophobicContact CB-CD 4.01Å; A135-K674 HydrophobicContact CB-CG 4.35Å; A135-K674 PolarHBondContact O-NZ 3.05Å; F495-K674 HydrophobicContact CE1-CD 3.72Å; F495-K674 HydrophobicContact CZ-CD 3.94Å; K674-K676 VanDerWaalsContact C-N 3.25Å; K674-K676 PolarHBondContact O-N 3.5Å; K674-A677 HydrophobicContact CB-CB 4.27Å; K674-A677 WeakPolarHBondContact O-CA 3.4Å; K674-A677 WeakPolarHBondContact O-CB 3.32Å; K674-A677 PolarHBondContact O-N 3.26Å; K674-V678 PolarHBondContact O-N 3.11Å
675	K	91.8	Very high	93.8	Very high	180 Å²	180	57.8 Å²	57.8	78%	0.783	28%	0.277	S	S	*	.	H	α-helix	trans	-45.6	-44.6	-174.1	-172.5	177.5	-177.4	177.5	0	114.3	F673 A677 V678 V679	F673-K675 PolarHBondContact O-N 3.32Å; F673-K675 VanDerWaalsContact O-N 3.14Å; K675-A677 VanDerWaalsContact C-N 3.35Å; K675-V678 PolarHBondContact O-N 2.84Å; K675-V679 WeakPolarHBondContact O-CG2 3.14Å; K675-V679 PolarHBondContact O-N 3.02Å
676	K	95	Very high	93.9	Very high	157 Å²	157	62 Å²	62	68%	0.683	30%	0.296	S	S	*	.	H	α-helix	trans	-66.6	-35.8	178.5	-70.6	-174.8	177.7	-177.9	0	112.8	L494 K674	L494-K676 HydrophobicContact CD1-CB 3.79Å; L494-K676 HydrophobicContact CD1-CD 3.72Å; L494-K676 HydrophobicContact CD1-CG 4.43Å; L494-K676 HydrophobicContact CD2-CB 3.82Å; L494-K676 HydrophobicContact CG-CB 4.48Å; K674-K676 VanDerWaalsContact C-N 3.25Å; K674-K676 PolarHBondContact O-N 3.5Å
677	A	96.1	Very high	94.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-75.2	-34.7	178.3	0	0	0	0	0	111.9	Y491 L494 F495 I672 K674 K675 V679 L680 L681	Y491-A677 HydrophobicContact CD2-CB 4.24Å; Y491-A677 HydrophobicContact CE2-CB 3.85Å; L494-A677 HydrophobicContact CD2-CB 3.72Å; F495-A677 HydrophobicContact CE2-CB 4.18Å; F495-A677 HydrophobicContact CZ-CB 4.42Å; I672-A677 HydrophobicContact CG2-CB 3.4Å; K674-A677 HydrophobicContact CB-CB 4.27Å; K674-A677 WeakPolarHBondContact O-CA 3.4Å; K674-A677 WeakPolarHBondContact O-CB 3.32Å; K674-A677 PolarHBondContact O-N 3.26Å; K675-A677 VanDerWaalsContact C-N 3.35Å; A677-V679 VanDerWaalsContact C-N 3.3Å; A677-V679 PolarHBondContact O-N 2.85Å; A677-L680 WeakPolarHBondContact O-CB 3.35Å; A677-L680 PolarHBondContact O-N 2.63Å; A677-L680 VanDerWaalsContact O-N 3.09Å; A677-L681 PolarHBondContact O-N 3.49Å
678	V	95.5	Very high	94.5	Very high	47 Å²	47	57.3 Å²	57.3	29%	0.285	28%	0.277	S	S	.	.	H	α-helix	trans	-58.3	-43.5	172.5	175.7	0	0	0	0	111	I672 K674 K675 L680 L681 D682	I672-V678 HydrophobicContact CG2-CG2 4.41Å; I672-V678 VanDerWaalsContact O-CG2 3.27Å; I672-V678 WeakPolarHBondContact O-CG2 3.44Å; K674-V678 PolarHBondContact O-N 3.11Å; K675-V678 PolarHBondContact O-N 2.84Å; V678-L680 PolarHBondContact O-N 3.27Å; V678-L681 WeakPolarHBondContact O-CB 3.2Å; V678-L681 PolarHBondContact O-N 2.98Å; V678-D682 PolarHBondContact O-N 3.32Å
679	V	97.6	Very high	95.1	Very high	92 Å²	92	57.8 Å²	57.8	56%	0.558	28%	0.279	S	S	*	.	H	α-helix	trans	-59.2	-36.7	175.8	174.1	0	0	0	0	111.9	K675 A677 Q683	K675-V679 WeakPolarHBondContact O-CG2 3.14Å; K675-V679 PolarHBondContact O-N 3.02Å; A677-V679 VanDerWaalsContact C-N 3.3Å; A677-V679 PolarHBondContact O-N 2.85Å; V679-Q683 PolarHBondContact O-N 3.08Å
680	L	98.1	Very high	95.6	Very high	38 Å²	38	60.3 Å²	60.3	20%	0.199	29%	0.291	C	S	.	.	H	α-helix	trans	-68.4	-38.7	175.9	-60	179	0	0	0	111.8	F487 N490 L494 A677 V678 Q683 F684	F487-L680 HydrophobicContact CD2-CB 4.13Å; F487-L680 HydrophobicContact CE2-CB 4.05Å; N490-L680 HydrophobicContact CB-CD1 3.99Å; N490-L680 HydrophobicContact CB-CD2 3.88Å; L494-L680 HydrophobicContact CD2-CD1 4.19Å; A677-L680 WeakPolarHBondContact O-CB 3.35Å; A677-L680 PolarHBondContact O-N 2.63Å; A677-L680 VanDerWaalsContact O-N 3.09Å; V678-L680 PolarHBondContact O-N 3.27Å; L680-Q683 PolarHBondContact O-N 3.35Å; L680-F684 WeakPolarHBondContact O-CB 3.38Å; L680-F684 PolarHBondContact O-N 3.22Å
681	L	97.3	Very high	96.2	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.026	28%	0.28	C	S	.	.	H	α-helix	trans	-66	-40.6	176	176.8	58.1	0	0	0	111.6	F487 Y667 I672 A677 V678 F684 R685	F487-L681 HydrophobicContact CE2-CB 4.26Å; F487-L681 HydrophobicContact CZ-CD1 4.26Å; Y667-L681 HydrophobicContact CD2-CD1 4.49Å; Y667-L681 HydrophobicContact CD2-CD2 4.23Å; Y667-L681 HydrophobicContact CE2-CD1 3.6Å; Y667-L681 HydrophobicContact CE2-CD2 3.98Å; Y667-L681 HydrophobicContact CE2-CG 4.47Å; I672-L681 HydrophobicContact CD1-CD2 4.43Å; A677-L681 PolarHBondContact O-N 3.49Å; V678-L681 WeakPolarHBondContact O-CB 3.2Å; V678-L681 PolarHBondContact O-N 2.98Å; L681-F684 HydrophobicContact CD1-CD1 4.15Å; L681-F684 WeakPolarHBondContact O-CB 3.38Å; L681-F684 PolarHBondContact O-N 3.45Å; L681-R685 WeakPolarHBondContact O-CG 3.33Å; L681-R685 PolarHBondContact O-N 2.91Å
682	D	97.8	Very high	96.5	Very high	80 Å²	80	57.9 Å²	57.9	43%	0.428	28%	0.281	S	S	.	.	H	α-helix	trans	-65.6	-39.5	176.6	-68.4	-26.2	0	0	0	111.6	V678 R685 H686	V678-D682 PolarHBondContact O-N 3.32Å; D682-R685 PolarHBondContact O-N 3.41Å; D682-R685 IonicContact OD1-NH1 3.45Å; D682-R685 PolarHBondContact OD1-NH1 3.04Å; D682-H686 PolarHBondContact O-N 3.38Å; D682-H686 VanDerWaalsContact O-N 3.13Å
683	Q	98.3	Very high	96.8	Very high	100 Å²	100	62.8 Å²	62.8	47%	0.467	30%	0.299	S	S	.	.	H	α-helix	trans	-62.2	-44.7	172	-174.9	61.3	55.9	0	0	111.4	V679 L680 R685 H686 D687	V679-Q683 PolarHBondContact O-N 3.08Å; L680-Q683 PolarHBondContact O-N 3.35Å; Q683-R685 VanDerWaalsContact C-N 3.31Å; Q683-R685 PolarHBondContact O-N 2.65Å; Q683-H686 WeakPolarHBondContact O-CB 3.17Å; Q683-H686 PolarHBondContact O-N 3.25Å; Q683-H686 VanDerWaalsContact O-N 3.1Å; Q683-D687 PolarHBondContact NE2-OD1 2.96Å; Q683-D687 VanDerWaalsContact O-CG 3.23Å; Q683-D687 PolarHBondContact O-N 3.48Å
684	F	98.4	Very high	97.1	Very high	1 Å²	1	65.3 Å²	65.3	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-58.4	-42.5	177	173.6	-123	0	0	0	112.1	A483 L484 F487 L664 L680 L681 H686 D687 L688	A483-F684 HydrophobicContact CB-CD2 4.46Å; A483-F684 HydrophobicContact CB-CE2 4.23Å; L484-F684 HydrophobicContact CD2-CE1 4.41Å; L484-F684 HydrophobicContact CD2-CE2 3.86Å; L484-F684 HydrophobicContact CD2-CZ 3.49Å; L484-F684 VanDerWaalsContact CD2-CZ 3.49Å; L484-F684 HydrophobicContact CG-CE2 4.14Å; L484-F684 HydrophobicContact CG-CZ 4.17Å; F487-F684 HydrophobicContact CB-CB 3.93Å; F487-F684 HydrophobicContact CB-CD2 3.79Å; F487-F684 HydrophobicContact CB-CG 3.91Å; F487-F684 HydrophobicContact CD1-CB 4.4Å; F487-F684 HydrophobicContact CD1-CD1 4.03Å; F487-F684 HydrophobicContact CD1-CD2 4.41Å; F487-F684 HydrophobicContact CD1-CE1 4.42Å; F487-F684 HydrophobicContact CD1-CG 4.02Å; F487-F684 HydrophobicContact CD2-CB 3.81Å; F487-F684 HydrophobicContact CD2-CG 4.32Å; F487-F684 HydrophobicContact CE1-CD1 4.33Å; F487-F684 HydrophobicContact CE2-CB 4.47Å; F487-F684 HydrophobicContact CG-CB 3.78Å; F487-F684 HydrophobicContact CG-CD1 4.27Å; F487-F684 HydrophobicContact CG-CD2 4.19Å; F487-F684 AromaticContact CG-CG 3.82Å; F487-F684 HydrophobicContact CG-CG 3.82Å; L664-F684 HydrophobicContact CG-CZ 4.41Å; L680-F684 WeakPolarHBondContact O-CB 3.38Å; L680-F684 PolarHBondContact O-N 3.22Å; L681-F684 HydrophobicContact CD1-CD1 4.15Å; L681-F684 WeakPolarHBondContact O-CB 3.38Å; L681-F684 PolarHBondContact O-N 3.45Å; F684-H686 VanDerWaalsContact C-N 3.31Å; F684-H686 PolarHBondContact O-N 3.08Å; F684-D687 PolarHBondContact O-N 3.05Å; F684-L688 HydrophobicContact CD1-CD1 4.22Å; F684-L688 HydrophobicContact CD2-CG 4.21Å; F684-L688 HydrophobicContact CE1-CD1 3.68Å; F684-L688 HydrophobicContact CE1-CG 4.34Å; F684-L688 HydrophobicContact CE2-CD1 4.02Å; F684-L688 HydrophobicContact CE2-CD2 3.75Å; F684-L688 HydrophobicContact CE2-CG 3.78Å; F684-L688 HydrophobicContact CZ-CD1 3.56Å; F684-L688 HydrophobicContact CZ-CD2 3.88Å; F684-L688 HydrophobicContact CZ-CG 3.86Å; F684-L688 WeakPolarHBondContact O-CG 3.49Å; F684-L688 PolarHBondContact O-N 3.43Å
685	R	98.1	Very high	97.4	Very high	75 Å²	75	62.6 Å²	62.6	28%	0.283	30%	0.299	S	S	.	.	H	α-helix	trans	-59.7	-42.1	175.2	-72.3	167.1	173	163.5	-3.8	111.8	G665 L681 D682 Q683 L688 E689	G665-R685 PolarHBondContact O-NE 3.01Å; G665-R685 PolarHBondContact O-NH2 3.05Å; G665-R685 VanDerWaalsContact O-NH2 3.14Å; L681-R685 WeakPolarHBondContact O-CG 3.33Å; L681-R685 PolarHBondContact O-N 2.91Å; D682-R685 PolarHBondContact O-N 3.41Å; D682-R685 IonicContact OD1-NH1 3.45Å; D682-R685 PolarHBondContact OD1-NH1 3.04Å; Q683-R685 VanDerWaalsContact C-N 3.31Å; Q683-R685 PolarHBondContact O-N 2.65Å; R685-L688 PolarHBondContact O-N 3.48Å; R685-E689 PolarHBondContact O-N 3.39Å
686	H	98.3	Very high	97.7	Very high	88 Å²	88	57.7 Å²	57.7	41%	0.407	28%	0.282	S	S	.	.	H	α-helix	trans	-65.3	-43.3	176.1	-167.5	60.1	0	0	0	112.3	D682 Q683 F684 L688 E689 D690	D682-H686 PolarHBondContact O-N 3.38Å; D682-H686 VanDerWaalsContact O-N 3.13Å; Q683-H686 WeakPolarHBondContact O-CB 3.17Å; Q683-H686 PolarHBondContact O-N 3.25Å; Q683-H686 VanDerWaalsContact O-N 3.1Å; F684-H686 VanDerWaalsContact C-N 3.31Å; F684-H686 PolarHBondContact O-N 3.08Å; H686-L688 VanDerWaalsContact C-N 3.26Å; H686-L688 PolarHBondContact O-N 2.75Å; H686-E689 IonicContact ND1-OE2 2.68Å; H686-E689 WeakPolarHBondContact O-CB 3.39Å; H686-E689 PolarHBondContact O-N 2.93Å; H686-D690 PolarHBondContact O-N 3.2Å; H686-D690 VanDerWaalsContact O-N 3.12Å
687	D	98.5	Very high	97.8	Very high	42 Å²	42	55.2 Å²	55.2	23%	0.225	28%	0.275	C	S	.	.	H	α-helix	trans	-60.2	-37.9	176.5	-61.5	-15.5	0	0	0	110.9	A483 Q683 F684 E689 D690 V691	A483-D687 HydrophobicContact CB-CB 4.27Å; Q683-D687 PolarHBondContact NE2-OD1 2.96Å; Q683-D687 VanDerWaalsContact O-CG 3.23Å; Q683-D687 PolarHBondContact O-N 3.48Å; F684-D687 PolarHBondContact O-N 3.05Å; D687-E689 PolarHBondContact O-N 3.19Å; D687-D690 WeakPolarHBondContact O-CB 3.15Å; D687-D690 PolarHBondContact O-N 3.46Å; D687-V691 VanDerWaalsContact O-CG2 3.29Å; D687-V691 WeakPolarHBondContact O-CG2 3.36Å; D687-V691 PolarHBondContact O-N 2.82Å
688	L	98.5	Very high	97.8	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-65.1	-35.7	174.8	-69.9	177.5	0	0	0	113	L664 F684 R685 H686 D690 V691 A692 P713	L664-L688 HydrophobicContact CB-CD1 4.31Å; L664-L688 HydrophobicContact CD2-CD1 4.21Å; L664-L688 HydrophobicContact CD2-CD2 3.83Å; L664-L688 HydrophobicContact CG-CD1 3.79Å; L664-L688 HydrophobicContact CG-CD2 4.35Å; L664-L688 WeakPolarHBondContact O-CD1 3.27Å; F684-L688 HydrophobicContact CD1-CD1 4.22Å; F684-L688 HydrophobicContact CD2-CG 4.21Å; F684-L688 HydrophobicContact CE1-CD1 3.68Å; F684-L688 HydrophobicContact CE1-CG 4.34Å; F684-L688 HydrophobicContact CE2-CD1 4.02Å; F684-L688 HydrophobicContact CE2-CD2 3.75Å; F684-L688 HydrophobicContact CE2-CG 3.78Å; F684-L688 HydrophobicContact CZ-CD1 3.56Å; F684-L688 HydrophobicContact CZ-CD2 3.88Å; F684-L688 HydrophobicContact CZ-CG 3.86Å; F684-L688 WeakPolarHBondContact O-CG 3.49Å; F684-L688 PolarHBondContact O-N 3.43Å; R685-L688 PolarHBondContact O-N 3.48Å; H686-L688 VanDerWaalsContact C-N 3.26Å; H686-L688 PolarHBondContact O-N 2.75Å; L688-D690 VanDerWaalsContact C-N 3.35Å; L688-V691 PolarHBondContact O-N 2.67Å; L688-A692 WeakPolarHBondContact O-CB 3.49Å; L688-A692 PolarHBondContact O-N 3.11Å; L688-P713 HydrophobicContact CB-CB 4.18Å; L688-P713 HydrophobicContact CD2-CB 4.21Å; L688-P713 HydrophobicContact CD2-CG 4.36Å
689	E	98.3	Very high	97.8	Very high	103 Å²	103	54.4 Å²	54.4	48%	0.481	27%	0.269	S	S	.	.	H	α-helix	trans	-65.1	-39.7	174.1	-66.9	173.6	179.1	0	0	111.6	R685 H686 D687 A692 R693	R685-E689 PolarHBondContact O-N 3.39Å; H686-E689 IonicContact ND1-OE2 2.68Å; H686-E689 WeakPolarHBondContact O-CB 3.39Å; H686-E689 PolarHBondContact O-N 2.93Å; D687-E689 PolarHBondContact O-N 3.19Å; E689-A692 PolarHBondContact O-N 2.96Å; E689-R693 WeakPolarHBondContact O-CG 3.34Å; E689-R693 PolarHBondContact O-N 3.3Å; E689-R693 VanDerWaalsContact O-N 3.08Å
690	D	98.3	Very high	97.7	Very high	75 Å²	75	53.3 Å²	53.3	40%	0.401	28%	0.276	S	S	.	.	H	α-helix	trans	-63.2	-44.1	172.8	-83.7	-36.7	0	0	0	111.6	H686 D687 L688 A692 R693 Q694	H686-D690 PolarHBondContact O-N 3.2Å; H686-D690 VanDerWaalsContact O-N 3.12Å; D687-D690 WeakPolarHBondContact O-CB 3.15Å; D687-D690 PolarHBondContact O-N 3.46Å; L688-D690 VanDerWaalsContact C-N 3.35Å; D690-A692 VanDerWaalsContact C-N 3.34Å; D690-A692 PolarHBondContact O-N 3.21Å; D690-R693 WeakPolarHBondContact O-CB 3.48Å; D690-R693 PolarHBondContact O-N 3.07Å; D690-R693 IonicContact OD1-CZ 3.62Å; D690-R693 IonicContact OD1-NE 3.39Å; D690-R693 PolarHBondContact OD1-NE 2.73Å; D690-R693 IonicContact OD1-NH2 2.75Å; D690-R693 PolarHBondContact OD1-NH2 3.4Å; D690-Q694 PolarHBondContact O-N 3.09Å
691	V	98.5	Very high	97.5	Very high	15 Å²	15	55.8 Å²	55.8	9%	0.091	30%	0.302	C	S	.	.	H	α-helix	trans	-61.9	-42.1	175.9	172.4	0	0	0	0	111	L479 I480 A483 D687 L688 R693 Q694 V695 P713	L479-V691 HydrophobicContact CB-CG1 3.85Å; L479-V691 HydrophobicContact CB-CG2 4.22Å; I480-V691 HydrophobicContact CG1-CG1 3.73Å; A483-V691 HydrophobicContact CB-CG2 4.42Å; D687-V691 VanDerWaalsContact O-CG2 3.29Å; D687-V691 WeakPolarHBondContact O-CG2 3.36Å; D687-V691 PolarHBondContact O-N 2.82Å; L688-V691 PolarHBondContact O-N 2.67Å; V691-R693 PolarHBondContact O-N 2.94Å; V691-Q694 PolarHBondContact O-N 3.25Å; V691-Q694 VanDerWaalsContact O-N 3.13Å; V691-V695 HydrophobicContact CG1-CG2 4.33Å; V691-V695 WeakPolarHBondContact O-CG2 3.35Å; V691-V695 PolarHBondContact O-N 3.03Å; V691-P713 HydrophobicContact CB-CG 4.09Å; V691-P713 HydrophobicContact CG1-CG 3.68Å
692	A	98.2	Very high	97.2	Very high	15 Å²	15	56.5 Å²	56.5	12%	0.124	30%	0.304	C	S	.	.	H	α-helix	trans	-59.8	-45.5	176.1	0	0	0	0	0	112	L688 E689 D690 Q694 V695 D696 P713	L688-A692 WeakPolarHBondContact O-CB 3.49Å; L688-A692 PolarHBondContact O-N 3.11Å; E689-A692 PolarHBondContact O-N 2.96Å; D690-A692 VanDerWaalsContact C-N 3.34Å; D690-A692 PolarHBondContact O-N 3.21Å; A692-Q694 VanDerWaalsContact C-N 3.29Å; A692-Q694 PolarHBondContact O-N 2.96Å; A692-V695 PolarHBondContact O-N 2.88Å; A692-D696 PolarHBondContact O-N 2.8Å; A692-P713 HydrophobicContact CB-CB 4.42Å; A692-P713 HydrophobicContact CB-CG 4.27Å
693	R	98.3	Very high	96.7	Very high	116 Å²	116	56.6 Å²	56.6	44%	0.438	31%	0.305	S	S	.	.	H	α-helix	trans	-58.2	-41.7	173.2	-72.7	-175.5	-77.8	-88.8	10.5	112	E689 D690 V691 D696 I697	E689-R693 WeakPolarHBondContact O-CG 3.34Å; E689-R693 PolarHBondContact O-N 3.3Å; E689-R693 VanDerWaalsContact O-N 3.08Å; D690-R693 WeakPolarHBondContact O-CB 3.48Å; D690-R693 PolarHBondContact O-N 3.07Å; D690-R693 IonicContact OD1-CZ 3.62Å; D690-R693 IonicContact OD1-NE 3.39Å; D690-R693 PolarHBondContact OD1-NE 2.73Å; D690-R693 IonicContact OD1-NH2 2.75Å; D690-R693 PolarHBondContact OD1-NH2 3.4Å; V691-R693 PolarHBondContact O-N 2.94Å; R693-D696 WeakPolarHBondContact O-CB 3.47Å; R693-D696 PolarHBondContact O-N 3.47Å; R693-I697 WeakPolarHBondContact O-CG1 3.42Å; R693-I697 PolarHBondContact O-N 3.38Å
694	Q	98	Very high	96.1	Very high	78 Å²	78	56.4 Å²	56.4	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-68.2	-39.1	178.9	-171.8	57.7	59.4	0	0	112.3	L479 D690 V691 A692 D696 I697 N698	L479-Q694 HydrophobicContact CD1-CB 4.14Å; L479-Q694 HydrophobicContact CD1-CG 3.67Å; D690-Q694 PolarHBondContact O-N 3.09Å; V691-Q694 PolarHBondContact O-N 3.25Å; V691-Q694 VanDerWaalsContact O-N 3.13Å; A692-Q694 VanDerWaalsContact C-N 3.29Å; A692-Q694 PolarHBondContact O-N 2.96Å; Q694-D696 VanDerWaalsContact C-N 3.32Å; Q694-D696 PolarHBondContact O-N 2.89Å; Q694-I697 PolarHBondContact O-N 3.04Å; Q694-N698 PolarHBondContact NE2-OD1 2.83Å; Q694-N698 PolarHBondContact O-N 3.4Å; Q694-N698 PolarHBondContact O-OD1 3.37Å
695	V	97.3	Very high	95.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64	-38.2	174.8	171	0	0	0	0	111.2	D476 V691 A692 N698 N699 D712	D476-V695 HydrophobicContact CB-CG2 4.06Å; V691-V695 HydrophobicContact CG1-CG2 4.33Å; V691-V695 WeakPolarHBondContact O-CG2 3.35Å; V691-V695 PolarHBondContact O-N 3.03Å; A692-V695 PolarHBondContact O-N 2.88Å; V695-N698 PolarHBondContact O-N 3.4Å; V695-N699 WeakPolarHBondContact O-CB 3.46Å; V695-N699 PolarHBondContact O-N 3.14Å; V695-N699 PolarHBondContact O-ND2 3.36Å; V695-D712 HydrophobicContact CG1-CB 4.19Å
696	D	97.1	Very high	95	Very high	77 Å²	77	54 Å²	54	41%	0.412	30%	0.297	S	S	.	.	H	α-helix	trans	-60.2	-47.3	172.1	-92.4	-30.8	0	0	0	112.3	A692 R693 Q694 N698 N699 G700 R709	A692-D696 PolarHBondContact O-N 2.8Å; R693-D696 WeakPolarHBondContact O-CB 3.47Å; R693-D696 PolarHBondContact O-N 3.47Å; Q694-D696 VanDerWaalsContact C-N 3.32Å; Q694-D696 PolarHBondContact O-N 2.89Å; D696-N698 VanDerWaalsContact C-N 3.33Å; D696-N698 PolarHBondContact O-N 3.42Å; D696-N699 PolarHBondContact O-N 3.24Å; D696-G700 PolarHBondContact O-N 3.22Å; D696-R709 IonicContact OD1-CZ 3.04Å; D696-R709 IonicContact OD1-NH1 3.7Å; D696-R709 PolarHBondContact OD1-NH1 2.85Å; D696-R709 IonicContact OD1-NH2 3.56Å
697	I	97.6	Very high	94.7	Very high	106 Å²	106	53.5 Å²	53.5	54%	0.544	30%	0.295	S	S	.	.	H	α-helix	trans	-59.9	-45.7	176	-68.8	164.9	0	0	0	110.3	R693 Q694 N699 G700 A701	R693-I697 WeakPolarHBondContact O-CG1 3.42Å; R693-I697 PolarHBondContact O-N 3.38Å; Q694-I697 PolarHBondContact O-N 3.04Å; I697-N699 VanDerWaalsContact C-N 3.34Å; I697-N699 PolarHBondContact O-N 3.15Å; I697-G700 PolarHBondContact O-N 2.95Å; I697-A701 PolarHBondContact O-N 2.73Å; I697-A701 VanDerWaalsContact O-N 3.12Å
698	N	95.8	Very high	94.5	Very high	30 Å²	30	51.8 Å²	51.8	16%	0.16	29%	0.285	C	S	.	.	H	α-helix	trans	-58.9	-46.6	177.9	-66.5	-7.9	0	0	0	110.8	D476 Q694 V695 D696 G700 A701 R702	D476-N698 PolarHBondContact OD1-ND2 3.48Å; Q694-N698 PolarHBondContact NE2-OD1 2.83Å; Q694-N698 PolarHBondContact O-N 3.4Å; Q694-N698 PolarHBondContact O-OD1 3.37Å; V695-N698 PolarHBondContact O-N 3.4Å; D696-N698 VanDerWaalsContact C-N 3.33Å; D696-N698 PolarHBondContact O-N 3.42Å; N698-G700 VanDerWaalsContact C-N 3.35Å; N698-G700 PolarHBondContact O-N 3.05Å; N698-A701 PolarHBondContact O-N 3.2Å; N698-R702 WeakPolarHBondContact O-CD 3.48Å; N698-R702 VanDerWaalsContact O-CG 3.23Å; N698-R702 WeakPolarHBondContact O-CG 3.44Å; N698-R702 PolarHBondContact O-N 3.32Å; N698-R702 VanDerWaalsContact O-N 3.16Å
699	N	95.3	Very high	94.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-67.3	-32.1	178.5	-78.4	-40	0	0	0	113.5	V695 D696 I697 A701 R702 Q707 Y708	V695-N699 WeakPolarHBondContact O-CB 3.46Å; V695-N699 PolarHBondContact O-N 3.14Å; V695-N699 PolarHBondContact O-ND2 3.36Å; D696-N699 PolarHBondContact O-N 3.24Å; I697-N699 VanDerWaalsContact C-N 3.34Å; I697-N699 PolarHBondContact O-N 3.15Å; N699-A701 VanDerWaalsContact C-N 3.27Å; N699-A701 PolarHBondContact O-N 3.16Å; N699-R702 PolarHBondContact O-N 2.95Å; N699-R702 PolarHBondContact OD1-NH1 3.25Å; N699-R702 VanDerWaalsContact OD1-NH1 3.17Å; N699-Q707 PolarHBondContact O-NE2 3.39Å; N699-Q707 WeakPolarHBondContact OD1-CA 3.25Å; N699-Y708 PolarHBondContact ND2-O 3.05Å; N699-Y708 PolarHBondContact OD1-N 3.43Å; N699-Y708 PolarHBondContact OD1-O 3.44Å
700	G	95.7	Very high	94.1	Very high	69 Å²	69	51.9 Å²	51.9	71%	0.711	28%	0.282	S	S	*	.	H	α-helix	trans	-66.5	-27.1	172.3	0	0	0	0	0	113.6	D696 I697 N698	D696-G700 PolarHBondContact O-N 3.22Å; I697-G700 PolarHBondContact O-N 2.95Å; N698-G700 VanDerWaalsContact C-N 3.35Å; N698-G700 PolarHBondContact O-N 3.05Å
701	A	93.7	Very high	94	Very high	89 Å²	89	48.3 Å²	48.3	74%	0.736	26%	0.263	S	S	*	.	H	α-helix	trans	-90.1	-14.4	177.9	0	0	0	0	0	114.1	I697 N698 N699	I697-A701 PolarHBondContact O-N 2.73Å; I697-A701 VanDerWaalsContact O-N 3.12Å; N698-A701 PolarHBondContact O-N 3.2Å; N699-A701 VanDerWaalsContact C-N 3.27Å; N699-A701 PolarHBondContact O-N 3.16Å
702	R	91.5	Very high	94	Very high	20 Å²	20	48 Å²	48	8%	0.075	26%	0.261	C	S	.	.	S	Bend	trans	-87.7	145.4	-178.7	-73.3	164.4	-173.3	159.1	0.2	111.1	E475 D476 N698 N699 H706	E475-R702 IonicContact OE2-CZ 2.74Å; E475-R702 IonicContact OE2-NE 3.81Å; E475-R702 IonicContact OE2-NH2 2.86Å; E475-R702 PolarHBondContact OE2-NH2 3.08Å; D476-R702 IonicContact OD1-CZ 3.44Å; D476-R702 IonicContact OD1-NH1 2.81Å; D476-R702 PolarHBondContact OD1-NH1 3.28Å; D476-R702 IonicContact OD1-NH2 3.7Å; D476-R702 PolarHBondContact OD1-NH2 2.73Å; D476-R702 IonicContact OD2-CZ 3.16Å; D476-R702 IonicContact OD2-NH1 3Å; D476-R702 PolarHBondContact OD2-NH1 3.22Å; D476-R702 IonicContact OD2-NH2 2.84Å; D476-R702 PolarHBondContact OD2-NH2 3.3Å; N698-R702 WeakPolarHBondContact O-CD 3.48Å; N698-R702 VanDerWaalsContact O-CG 3.23Å; N698-R702 WeakPolarHBondContact O-CG 3.44Å; N698-R702 PolarHBondContact O-N 3.32Å; N698-R702 VanDerWaalsContact O-N 3.16Å; N699-R702 PolarHBondContact O-N 2.95Å; N699-R702 PolarHBondContact OD1-NH1 3.25Å; N699-R702 VanDerWaalsContact OD1-NH1 3.17Å; R702-H706 HydrophobicContact CB-CB 4.17Å; R702-H706 WeakPolarHBondContact CD-O 3.42Å; R702-H706 HydrophobicContact CG-CB 4.48Å
703	D	87.1	Confident	93.9	Very high	82 Å²	82	47.6 Å²	47.6	44%	0.439	26%	0.257	S	S	.	.			trans	-55.6	147.9	163.9	-73.2	-26.3	0	0	0	110	H705 H706 Q707	D703-H705 WeakPolarHBondContact CB-CE1 3.25Å; D703-H705 PolarHBondContact O-N 2.91Å; D703-H705 IonicContact OD2-CE1 3.7Å; D703-H705 PolarHBondContact OD2-CE1 3.01Å; D703-H705 IonicContact OD2-NE2 2.98Å; D703-H706 CarbonylContact O-C 3.57Å; D703-H706 WeakPolarHBondContact O-CA 3.13Å; D703-H706 PolarHBondContact O-N 3.44Å; D703-Q707 PolarHBondContact O-N 2.89Å
704	M	85.4	Confident	93.7	Very high	97 Å²	97	45.2 Å²	45.2	48%	0.478	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-49.6	-39.7	-177.8	179.7	174.5	48	0	0	113.9	F234 H706 Q707	F234-M704 HydrophobicContact CD1-CE 4.13Å; F234-M704 HydrophobicContact CD2-CE 4.49Å; F234-M704 HydrophobicContact CE1-CE 3.19Å; F234-M704 HydrophobicContact CE1-SD 4.26Å; F234-M704 HydrophobicContact CE2-CE 3.63Å; F234-M704 HydrophobicContact CE2-CG 4.2Å; F234-M704 HydrophobicContact CE2-SD 3.64Å; F234-M704 HydrophobicContact CZ-CE 2.92Å; F234-M704 HydrophobicContact CZ-CG 4.4Å; F234-M704 HydrophobicContact CZ-SD 3.38Å; F234-M704 WeakPolarHBondContact CZ-SD 3.29Å; M704-H706 PolarHBondContact O-N 3.4Å; M704-Q707 PolarHBondContact O-N 3.32Å
705	H	83.5	Confident	93.4	Very high	25 Å²	25	45.9 Å²	45.9	12%	0.116	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-76.9	-5.8	-179.8	57.7	-87.1	0	0	0	114.3	I240 A244 R248 D703	I240-H705 WeakPolarHBondContact CG2-NE2 3.36Å; A244-H705 WeakPolarHBondContact CB-O 3.19Å; R248-H705 PolarHBondContact NE-O 3.29Å; D703-H705 WeakPolarHBondContact CB-CE1 3.25Å; D703-H705 PolarHBondContact O-N 2.91Å; D703-H705 IonicContact OD2-CE1 3.7Å; D703-H705 PolarHBondContact OD2-CE1 3.01Å; D703-H705 IonicContact OD2-NE2 2.98Å
706	H	89.2	Confident	93.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-109.1	-2.9	172.5	-71.6	96.4	0	0	0	113	N470 P472 R702 D703 M704 Y708	N470-H706 PolarHBondContact ND2-CD2 3.09Å; N470-H706 PolarHBondContact ND2-ND1 3.11Å; N470-H706 PolarHBondContact ND2-NE2 2.94Å; P472-H706 HydrophobicContact CG-CB 4.38Å; P472-H706 WeakPolarHBondContact CG-O 3.18Å; R702-H706 HydrophobicContact CB-CB 4.17Å; R702-H706 WeakPolarHBondContact CD-O 3.42Å; R702-H706 HydrophobicContact CG-CB 4.48Å; D703-H706 CarbonylContact O-C 3.57Å; D703-H706 WeakPolarHBondContact O-CA 3.13Å; D703-H706 PolarHBondContact O-N 3.44Å; M704-H706 PolarHBondContact O-N 3.4Å; H706-Y708 PolarHBondContact O-N 3.16Å
707	Q	92.2	Very high	93.3	Very high	78 Å²	78	42.2 Å²	42.2	36%	0.364	24%	0.244	S	C	.	.			trans	-59.8	138.9	173.6	-69.9	-178.1	-4.8	0	0	110.4	N699 D703 M704	N699-Q707 PolarHBondContact O-NE2 3.39Å; N699-Q707 WeakPolarHBondContact OD1-CA 3.25Å; D703-Q707 PolarHBondContact O-N 2.89Å; M704-Q707 PolarHBondContact O-N 3.32Å
708	Y	94.5	Very high	93.2	Very high	6 Å²	6	37.2 Å²	37.2	2%	0.024	22%	0.218	C	C	.	.			trans	-140.5	104	-175.2	-167.6	-121.7	0	0	0	110.1	R248 P472 Y473 A582 P586 N699 H706 A710 L711	R248-Y708 HydrophobicContact CB-CD2 3.91Å; R248-Y708 HydrophobicContact CB-CG 4.35Å; R248-Y708 WeakPolarHBondContact O-CD2 3.36Å; R248-Y708 WeakPolarHBondContact O-CE2 3.38Å; P472-Y708 VanDerWaalsContact CB-CB 3.41Å; P472-Y708 HydrophobicContact CB-CD1 4.14Å; P472-Y708 HydrophobicContact CB-CG 3.95Å; Y473-Y708 HydrophobicContact CD2-CE1 4.34Å; A582-Y708 WeakPolarHBondContact CA-OH 3.3Å; A582-Y708 WeakPolarHBondContact CB-OH 3.39Å; P586-Y708 HydrophobicContact CG-CE2 3.91Å; N699-Y708 PolarHBondContact ND2-O 3.05Å; N699-Y708 PolarHBondContact OD1-N 3.43Å; N699-Y708 PolarHBondContact OD1-O 3.44Å; H706-Y708 PolarHBondContact O-N 3.16Å; Y708-A710 HydrophobicContact CD2-CB 4.38Å; Y708-A710 HydrophobicContact CE1-CB 4.24Å; Y708-A710 HydrophobicContact CE2-CB 3.78Å; Y708-L711 HydrophobicContact CD1-CB 4.37Å; Y708-L711 HydrophobicContact CD1-CD1 4.34Å; Y708-L711 HydrophobicContact CD1-CG 4.31Å; Y708-L711 HydrophobicContact CE1-CB 4.12Å; Y708-L711 HydrophobicContact CE1-CD1 3.6Å; Y708-L711 HydrophobicContact CE1-CG 3.58Å
709	R	93.9	Very high	93.1	Very high	105 Å²	105	36 Å²	36	40%	0.396	21%	0.211	S	C	.	.			trans	-97.4	-9.8	-176.9	-64.6	-68.6	-175.2	175.4	-3.5	113.4	D696 L711 D712 L715	D696-R709 IonicContact OD1-CZ 3.04Å; D696-R709 IonicContact OD1-NH1 3.7Å; D696-R709 PolarHBondContact OD1-NH1 2.85Å; D696-R709 IonicContact OD1-NH2 3.56Å; R709-L711 PolarHBondContact O-N 3.44Å; R709-L711 VanDerWaalsContact O-N 3.15Å; R709-D712 IonicContact NH1-OD2 3.36Å; R709-D712 WeakPolarHBondContact O-CB 3.42Å; R709-D712 PolarHBondContact O-N 3.22Å; R709-L715 HydrophobicContact CB-CD1 4.38Å
710	A	94.9	Very high	93	Very high	7 Å²	7	36 Å²	36	6%	0.058	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.9	-176	0	0	0	0	0	114	S581 L585 P586 Y708	S581-A710 WeakPolarHBondContact CB-O 3.28Å; S581-A710 PolarHBondContact OG-O 3.1Å; L585-A710 HydrophobicContact CB-CB 3.8Å; L585-A710 HydrophobicContact CD1-CB 4.44Å; L585-A710 WeakPolarHBondContact CD1-O 3.37Å; P586-A710 HydrophobicContact CG-CB 3.71Å; Y708-A710 HydrophobicContact CD2-CB 4.38Å; Y708-A710 HydrophobicContact CE1-CB 4.24Å; Y708-A710 HydrophobicContact CE2-CB 3.78Å
711	L	97.1	Very high	92.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	23.6	178.6	-68.8	-175.6	0	0	0	112.6	Y473 D476 A477 I480 I577 Y708 R709 P713 M716	Y473-L711 HydrophobicContact CD2-CD1 3.92Å; Y473-L711 HydrophobicContact CE2-CD1 4.3Å; D476-L711 HydrophobicContact CB-CB 3.89Å; D476-L711 HydrophobicContact CB-CD1 4.13Å; A477-L711 HydrophobicContact CB-CD1 3.55Å; I480-L711 HydrophobicContact CD1-CB 3.67Å; I480-L711 HydrophobicContact CD1-CD1 4.37Å; I480-L711 HydrophobicContact CD1-CD2 4.14Å; I480-L711 HydrophobicContact CD1-CG 4.28Å; I480-L711 VanDerWaalsContact CD1-O 3.3Å; I480-L711 WeakPolarHBondContact CD1-O 3.36Å; I577-L711 HydrophobicContact CG2-CD2 4.04Å; Y708-L711 HydrophobicContact CD1-CB 4.37Å; Y708-L711 HydrophobicContact CD1-CD1 4.34Å; Y708-L711 HydrophobicContact CD1-CG 4.31Å; Y708-L711 HydrophobicContact CE1-CB 4.12Å; Y708-L711 HydrophobicContact CE1-CD1 3.6Å; Y708-L711 HydrophobicContact CE1-CG 3.58Å; R709-L711 PolarHBondContact O-N 3.44Å; R709-L711 VanDerWaalsContact O-N 3.15Å; L711-P713 WeakPolarHBondContact O-CD 3.39Å; L711-M716 HydrophobicContact CB-SD 4.48Å; L711-M716 HydrophobicContact CD2-CE 3.75Å; L711-M716 HydrophobicContact CD2-SD 4.05Å
712	D	96.6	Very high	92.3	Very high	9 Å²	9	28.5 Å²	28.5	5%	0.048	14%	0.143	C	C	.	.			trans	-78.7	114.1	165.7	-176.8	-27.2	0	0	0	108.8	V695 R709 S714 L715 M716	V695-D712 HydrophobicContact CG1-CB 4.19Å; R709-D712 IonicContact NH1-OD2 3.36Å; R709-D712 WeakPolarHBondContact O-CB 3.42Å; R709-D712 PolarHBondContact O-N 3.22Å; D712-S714 PolarHBondContact O-N 2.82Å; D712-S714 WeakPolarHBondContact OD1-CB 3.19Å; D712-S714 PolarHBondContact OD1-N 2.98Å; D712-S714 PolarHBondContact OD1-OG 2.84Å; D712-S714 PolarHBondContact OD2-OG 3.07Å; D712-L715 HydrophobicContact CB-CD1 4.26Å; D712-L715 HydrophobicContact CB-CG 4.34Å; D712-L715 WeakPolarHBondContact O-CA 3.39Å; D712-L715 PolarHBondContact O-N 2.75Å; D712-M716 WeakPolarHBondContact O-CG 3.24Å; D712-M716 PolarHBondContact O-N 3.48Å; D712-M716 VanDerWaalsContact O-N 3.12Å
713	P	96.8	Very high	92.4	Very high	5 Å²	5	29 Å²	29	3%	0.032	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-25.9	-178	-28.6	36.4	0	0	0	115	I480 L688 V691 A692 L711 L715 M716	I480-P713 HydrophobicContact CG1-CG 4.41Å; L688-P713 HydrophobicContact CB-CB 4.18Å; L688-P713 HydrophobicContact CD2-CB 4.21Å; L688-P713 HydrophobicContact CD2-CG 4.36Å; V691-P713 HydrophobicContact CB-CG 4.09Å; V691-P713 HydrophobicContact CG1-CG 3.68Å; A692-P713 HydrophobicContact CB-CB 4.42Å; A692-P713 HydrophobicContact CB-CG 4.27Å; L711-P713 WeakPolarHBondContact O-CD 3.39Å; P713-L715 PolarHBondContact O-N 3.43Å; P713-M716 PolarHBondContact O-N 3.1Å
714	S	93.8	Very high	92.6	Very high	66 Å²	66	26.2 Å²	26.2	46%	0.462	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-17.6	175.8	69.8	0	0	0	0	113.8	D712	D712-S714 PolarHBondContact O-N 2.82Å; D712-S714 WeakPolarHBondContact OD1-CB 3.19Å; D712-S714 PolarHBondContact OD1-N 2.98Å; D712-S714 PolarHBondContact OD1-OG 2.84Å; D712-S714 PolarHBondContact OD2-OG 3.07Å
715	L	92.6	Very high	93	Very high	92 Å²	92	22.2 Å²	22.2	48%	0.482	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-12.5	179.5	-55.8	178.9	0	0	0	112.8	R709 D712 P713	R709-L715 HydrophobicContact CB-CD1 4.38Å; D712-L715 HydrophobicContact CB-CD1 4.26Å; D712-L715 HydrophobicContact CB-CG 4.34Å; D712-L715 WeakPolarHBondContact O-CA 3.39Å; D712-L715 PolarHBondContact O-N 2.75Å; P713-L715 PolarHBondContact O-N 3.43Å
716	M	95.6	Very high	93.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.			trans	-76.6	131.8	-177.9	-67.6	-175	67.4	0	0	110.7	I480 I576 I577 S581 V663 L664 L711 D712 P713	I480-M716 HydrophobicContact CD1-CE 4.37Å; I480-M716 HydrophobicContact CD1-SD 3.7Å; I480-M716 HydrophobicContact CG1-SD 4.21Å; I480-M716 HydrophobicContact CG2-CE 4.21Å; I480-M716 HydrophobicContact CG2-SD 4.3Å; I576-M716 HydrophobicContact CG2-CE 3.81Å; I577-M716 HydrophobicContact CG1-CE 4.1Å; S581-M716 VanDerWaalsContact OG-CG 3.32Å; S581-M716 WeakPolarHBondContact OG-CG 3.23Å; V663-M716 CarbonylContact C-O 3.55Å; V663-M716 WeakPolarHBondContact CA-O 3.32Å; L664-M716 HydrophobicContact CB-CB 4.08Å; L664-M716 WeakPolarHBondContact CB-O 3.27Å; L664-M716 HydrophobicContact CD2-CB 4.4Å; L664-M716 HydrophobicContact CD2-CE 4.37Å; L664-M716 HydrophobicContact CD2-SD 4.37Å; L664-M716 PolarHBondContact N-O 2.73Å; L711-M716 HydrophobicContact CB-SD 4.48Å; L711-M716 HydrophobicContact CD2-CE 3.75Å; L711-M716 HydrophobicContact CD2-SD 4.05Å; D712-M716 WeakPolarHBondContact O-CG 3.24Å; D712-M716 PolarHBondContact O-N 3.48Å; D712-M716 VanDerWaalsContact O-N 3.12Å; P713-M716 PolarHBondContact O-N 3.1Å
717	P	95.4	Very high	93.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.			trans	-80.3	159.1	172.8	35.3	-37.3	0	0	0	112.4	G580 Q661 S662 Y719	G580-P717 VanDerWaalsContact O-CG 3.27Å; G580-P717 WeakPolarHBondContact O-CG 3.49Å; Q661-P717 HydrophobicContact CB-CB 4.08Å; S662-P717 VanDerWaalsContact O-CA 3.28Å; S662-P717 WeakPolarHBondContact O-CA 3.14Å; P717-Y719 WeakPolarHBondContact CB-O 3.45Å; P717-Y719 WeakPolarHBondContact CG-O 3.37Å; P717-Y719 PolarHBondContact O-N 3.23Å
718	N	96.1	Very high	94	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	10%	0.102	C	C	.	.	S	Bend	trans	-69	-24.5	170	-68.7	-68.2	0	0	0	112.6	H402 S662 V663 L664 G665 Q666 Y667	H402-N718 VanDerWaalsContact CA-O 3.31Å; H402-N718 WeakPolarHBondContact CA-O 3.38Å; H402-N718 WeakPolarHBondContact CB-O 3.28Å; H402-N718 PolarHBondContact ND1-O 3.46Å; S662-N718 WeakPolarHBondContact CB-ND2 3.45Å; S662-N718 WeakPolarHBondContact OG-CB 3.3Å; S662-N718 PolarHBondContact OG-N 3.26Å; S662-N718 PolarHBondContact OG-ND2 2.84Å; S662-N718 VanDerWaalsContact OG-ND2 3.08Å; V663-N718 PolarHBondContact O-ND2 3.3Å; L664-N718 WeakPolarHBondContact CA-OD1 3.39Å; G665-N718 PolarHBondContact N-OD1 2.7Å; Q666-N718 PolarHBondContact O-ND2 3.46Å; Y667-N718 HydrophobicContact CD1-CB 4.35Å; Y667-N718 HydrophobicContact CE1-CB 4.33Å; Y667-N718 WeakPolarHBondContact CE1-OD1 3.36Å
719	Y	94.8	Very high	93.9	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.016	11%	0.108	C	C	.	.	S	Bend	trans	-140.5	159.9	-169.2	48.1	-108.3	0	0	0	112.6	W186 P401 R404 S405 S662 E668 P717	W186-Y719 HydrophobicContact CH2-CE2 4.36Å; W186-Y719 HydrophobicContact CZ2-CE2 4.14Å; P401-Y719 WeakPolarHBondContact O-CD1 3.41Å; R404-Y719 HydrophobicContact CB-CD1 3.66Å; R404-Y719 HydrophobicContact CB-CE1 3.92Å; R404-Y719 HydrophobicContact CB-CG 4.2Å; R404-Y719 HydrophobicContact CG-CD1 4.33Å; R404-Y719 HydrophobicContact CG-CE1 4.06Å; S405-Y719 WeakPolarHBondContact OG-CD2 3.48Å; S662-Y719 WeakPolarHBondContact OG-CE1 3.2Å; E668-Y719 PolarHBondContact OE1-OH 3.21Å; P717-Y719 WeakPolarHBondContact CB-O 3.45Å; P717-Y719 WeakPolarHBondContact CG-O 3.37Å; P717-Y719 PolarHBondContact O-N 3.23Å
720	P	93.5	Very high	93.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.086	C	C	.	.			trans	-59.8	135.5	176.7	-28.3	38.6	0	0	0	114.8	H375 L378 S405 I406 T579	H375-P720 VanDerWaalsContact CE1-CB 3.48Å; H375-P720 WeakPolarHBondContact CE1-CB 3.39Å; L378-P720 HydrophobicContact CD1-CG 4.1Å; S405-P720 WeakPolarHBondContact CB-O 3.31Å; S405-P720 PolarHBondContact OG-O 3.26Å; I406-P720 HydrophobicContact CD1-CB 4.37Å; I406-P720 HydrophobicContact CD1-CG 4.18Å; T579-P720 HydrophobicContact CG2-CB 3.76Å; T579-P720 HydrophobicContact CG2-CG 4.01Å
721	G	89.2	Confident	93.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.088	C	C	.	.			trans	-115.9	175.7	174.1	0	0	0	0	0	113.5	R371 V409 R584	R371-G721 PolarHBondContact NH2-O 3.21Å; V409-G721 VanDerWaalsContact CG1-C 3.49Å; V409-G721 WeakPolarHBondContact CG1-O 3.5Å; R584-G721 VanDerWaalsContact CD-O 3.31Å; R584-G721 WeakPolarHBondContact CD-O 3.38Å
722	I	84.9	Confident	93.6	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.01	10%	0.096	C	C	.	.			trans	-64.9	0	176.2	63.7	176.8	0	0	0	113.8	W186 I188 R371 V409 K412 W416 R584 A656 V659	W186-I722 HydrophobicContact CB-CG2 3.86Å; W186-I722 HydrophobicContact CD2-CG2 4.14Å; W186-I722 HydrophobicContact CE3-CB 4.12Å; W186-I722 HydrophobicContact CE3-CD1 4.14Å; W186-I722 HydrophobicContact CE3-CG1 3.76Å; W186-I722 HydrophobicContact CE3-CG2 3.61Å; W186-I722 HydrophobicContact CG-CG2 4.28Å; W186-I722 HydrophobicContact CZ3-CG1 4.14Å; W186-I722 HydrophobicContact CZ3-CG2 4.46Å; I188-I722 HydrophobicContact CB-CD1 4.27Å; I188-I722 HydrophobicContact CD1-CD1 3.86Å; I188-I722 HydrophobicContact CG1-CD1 3.9Å; I188-I722 HydrophobicContact CG2-CD1 3.41Å; I188-I722 VanDerWaalsContact CG2-CD1 3.41Å; R371-I722 VanDerWaalsContact NH2-C 3.32Å; R371-I722 PolarHBondContact NH2-OXT 2.99Å; V409-I722 HydrophobicContact CB-CG2 4.43Å; V409-I722 HydrophobicContact CG1-CG2 4.04Å; V409-I722 HydrophobicContact CG2-CG2 4.1Å; K412-I722 HydrophobicContact CB-CG2 4.45Å; W416-I722 HydrophobicContact CH2-CB 3.9Å; W416-I722 HydrophobicContact CH2-CD1 4.01Å; W416-I722 HydrophobicContact CH2-CG1 4.37Å; W416-I722 HydrophobicContact CH2-CG2 4.37Å; W416-I722 HydrophobicContact CZ3-CB 4.18Å; R584-I722 VanDerWaalsContact CD-O 3.24Å; R584-I722 WeakPolarHBondContact CD-O 3.37Å; A656-I722 HydrophobicContact CB-CD1 4.2Å; A656-I722 HydrophobicContact CB-CG1 3.87Å; V659-I722 HydrophobicContact CG2-CD1 3.71Å; V659-I722 HydrophobicContact CG2-CG1 4.19Å

Retrieved 722 of 722 residues in 222 ms (Link to these results)

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