A0A087XFF2_POEFO Loading...

Protein kinase C

AlphaFold DB , UniProt , Accession A0A087XFF2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 715 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.2	Low	82.2	Confident	151 Å²	151	42.5 Å²	42.5	74%	0.744	23%	0.225	S	C	*	.				0	107.8	0	-53.1	-170.7	-172.3	0	0	109.2	P3 L123 E124	M1-P3 WeakPolarHBondContact O-CD 3.35Å; M1-L123 HydrophobicContact CB-CD2 4.21Å; M1-E124 WeakPolarHBondContact CA-O 3.36Å; M1-E124 WeakPolarHBondContact CB-O 3.47Å; M1-E124 WeakPolarHBondContact CG-O 3.25Å
2	S	69.5	Low	82.5	Confident	47 Å²	47	41.4 Å²	41.4	33%	0.329	22%	0.217	S	C	.	.			trans	-77	124.4	170.8	-28.9	0	0	0	0	108.4	E124	S2-E124 WeakPolarHBondContact CB-OE2 3.24Å; S2-E124 PolarHBondContact O-N 2.95Å; S2-E124 PolarHBondContact OG-OE2 3.23Å
3	P	83.6	Confident	82.6	Confident	33 Å²	33	43 Å²	43	21%	0.214	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	139.7	170	28.7	-30.5	0	0	0	110.5	M1 V64 Y121 Y122 L123	M1-P3 WeakPolarHBondContact O-CD 3.35Å; P3-V64 HydrophobicContact CB-CB 4.25Å; P3-V64 HydrophobicContact CG-CB 4.08Å; P3-V64 PolarHBondContact O-N 3.44Å; P3-Y121 HydrophobicContact CB-CE2 3.69Å; P3-Y121 VanDerWaalsContact CB-OH 3.3Å; P3-Y121 WeakPolarHBondContact CB-OH 3.39Å; P3-Y122 WeakPolarHBondContact CA-O 3.22Å; P3-L123 HydrophobicContact CB-CD2 4.3Å
4	F	88.6	Confident	82.3	Confident	25 Å²	25	45 Å²	45	11%	0.11	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	161.7	172.5	73.1	-89.1	0	0	0	112.3	D61 A62 H63 Y122 E124	F4-D61 HydrophobicContact CD2-CB 3.99Å; F4-D61 HydrophobicContact CE2-CB 4.27Å; F4-A62 WeakPolarHBondContact CA-O 3.44Å; F4-H63 HydrophobicContact CB-CB 4.48Å; F4-Y122 HydrophobicContact CD2-CD2 4.2Å; F4-Y122 VanDerWaalsContact CE1-CB 3.46Å; F4-Y122 HydrophobicContact CE1-CG 4.3Å; F4-Y122 AromaticContact CE2-CD2 3.64Å; F4-Y122 HydrophobicContact CE2-CD2 3.64Å; F4-Y122 HydrophobicContact CE2-CE2 4.48Å; F4-Y122 AromaticContact CE2-CG 3.92Å; F4-Y122 HydrophobicContact CE2-CG 3.92Å; F4-Y122 VanDerWaalsContact CZ-CB 3.42Å; F4-Y122 AromaticContact CZ-CD2 3.97Å; F4-Y122 HydrophobicContact CZ-CD2 3.97Å; F4-Y122 AromaticContact CZ-CG 3.75Å; F4-Y122 HydrophobicContact CZ-CG 3.75Å; F4-Y122 PolarHBondContact N-O 3.26Å; F4-Y122 PolarHBondContact O-N 3.45Å; F4-E124 HydrophobicContact CD1-CG 4.09Å; F4-E124 HydrophobicContact CE1-CG 4.05Å
5	L	87.1	Confident	81.2	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.1	175.7	-74.5	167.3	0	0	0	109.8	I7 D61 A62 V64 L89 L92 A93 C96 R120 Y121	L5-I7 HydrophobicContact CB-CD1 4.12Å; L5-I7 HydrophobicContact CB-CG1 3.93Å; L5-D61 CarbonylContact O-C 3.56Å; L5-D61 WeakPolarHBondContact O-CA 3.42Å; L5-A62 PolarHBondContact N-O 3.46Å; L5-A62 PolarHBondContact O-N 3.47Å; L5-V64 HydrophobicContact CD1-CG2 3.9Å; L5-V64 HydrophobicContact CG-CG2 3.82Å; L5-L89 HydrophobicContact CD1-CD2 4.15Å; L5-L89 WeakPolarHBondContact CD1-O 3.49Å; L5-L92 HydrophobicContact CD1-CB 3.95Å; L5-L92 HydrophobicContact CD1-CD2 3.85Å; L5-L92 HydrophobicContact CD1-CG 3.83Å; L5-A93 HydrophobicContact CD1-CB 4.01Å; L5-A93 HydrophobicContact CD2-CB 4.27Å; L5-A93 HydrophobicContact CG-CB 4.21Å; L5-C96 HydrophobicContact CD2-CB 4.17Å; L5-R120 CarbonylContact C-O 3.59Å; L5-R120 VanDerWaalsContact CA-O 3.25Å; L5-R120 WeakPolarHBondContact CA-O 3.36Å; L5-Y121 HydrophobicContact CD2-CD2 4.23Å
6	R	88.1	Confident	79.5	Confident	94 Å²	94	55.4 Å²	55.4	36%	0.355	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	116.9	164	-175.9	157.8	-67.5	173.8	0.1	108.6	T59 D61 A119 R120 Y122	R6-T59 HydrophobicContact CG-CG2 4.22Å; R6-D61 WeakPolarHBondContact CA-OD1 3.42Å; R6-D61 WeakPolarHBondContact CB-OD1 3.46Å; R6-D61 WeakPolarHBondContact CG-OD1 3.27Å; R6-D61 IonicContact CZ-OD1 3.89Å; R6-D61 IonicContact CZ-OD2 3.18Å; R6-D61 IonicContact NE-OD1 3.73Å; R6-D61 PolarHBondContact NE-OD1 3.22Å; R6-D61 IonicContact NE-OD2 3.84Å; R6-D61 IonicContact NH2-OD1 2.8Å; R6-D61 PolarHBondContact NH2-OD1 3.29Å; R6-D61 IonicContact NH2-OD2 3.68Å; R6-D61 PolarHBondContact NH2-OD2 3.15Å; R6-A119 CarbonylContact O-C 3.37Å; R6-A119 VanDerWaalsContact O-CA 3.27Å; R6-A119 WeakPolarHBondContact O-CA 3.41Å; R6-R120 HydrophobicContact CB-CB 4.49Å; R6-R120 PolarHBondContact N-O 2.8Å; R6-R120 PolarHBondContact O-N 2.81Å; R6-Y122 HydrophobicContact CB-CD2 4.31Å; R6-Y122 HydrophobicContact CB-CE2 3.76Å
7	I	90.9	Very high	77.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.1	-172.4	-58.3	177.7	0	0	0	109.4	L5 F9 T59 F60 A62 M70 L89 L92 M117 E118 A119	L5-I7 HydrophobicContact CB-CD1 4.12Å; L5-I7 HydrophobicContact CB-CG1 3.93Å; I7-F9 HydrophobicContact CG2-CE1 4.08Å; I7-F9 HydrophobicContact CG2-CZ 4.23Å; I7-T59 CarbonylContact O-C 3.49Å; I7-T59 WeakPolarHBondContact O-CA 3.37Å; I7-F60 HydrophobicContact CB-CE1 4.13Å; I7-F60 HydrophobicContact CB-CE2 4.1Å; I7-F60 HydrophobicContact CB-CZ 3.82Å; I7-F60 HydrophobicContact CG2-CE1 4.03Å; I7-F60 HydrophobicContact CG2-CE2 4.48Å; I7-F60 HydrophobicContact CG2-CZ 3.76Å; I7-F60 PolarHBondContact N-O 2.8Å; I7-F60 VanDerWaalsContact O-CD1 3.28Å; I7-F60 WeakPolarHBondContact O-CD1 3.47Å; I7-F60 PolarHBondContact O-N 3.37Å; I7-A62 HydrophobicContact CD1-CB 3.83Å; I7-M70 HydrophobicContact CD1-CE 4.01Å; I7-M70 HydrophobicContact CD1-SD 3.81Å; I7-M70 HydrophobicContact CG2-CE 4.31Å; I7-M70 HydrophobicContact CG2-SD 4.44Å; I7-L89 HydrophobicContact CD1-CD2 3.8Å; I7-L92 HydrophobicContact CD1-CD2 3.86Å; I7-L92 HydrophobicContact CG1-CD2 4.48Å; I7-M117 HydrophobicContact CG2-CG 3.68Å; I7-M117 HydrophobicContact CG2-SD 3.6Å; I7-E118 CarbonylContact C-O 3.45Å; I7-E118 VanDerWaalsContact CA-O 3.29Å; I7-E118 WeakPolarHBondContact CA-O 3.37Å; I7-A119 HydrophobicContact CG1-CB 4.35Å
8	G	89.1	Confident	76.1	Confident	6 Å²	6	61.6 Å²	61.6	6%	0.062	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	156.8	172.2	0	0	0	0	0	112.3	S58 M117 E118	G8-S58 WeakPolarHBondContact CA-O 3.34Å; G8-M117 WeakPolarHBondContact O-CA 3.47Å; G8-E118 PolarHBondContact N-O 2.79Å; G8-E118 PolarHBondContact O-N 3.47Å
9	F	90.6	Very high	74.2	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.009	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	124.8	176	-52.1	-57.1	0	0	0	110	I7 C29 V31 P54 W56 S57 F60 M70 V72 L115 L116 M117	I7-F9 HydrophobicContact CG2-CE1 4.08Å; I7-F9 HydrophobicContact CG2-CZ 4.23Å; F9-C29 HydrophobicContact CD2-CB 4.2Å; F9-C29 HydrophobicContact CE2-CB 4.47Å; F9-V31 HydrophobicContact CE2-CG2 3.67Å; F9-V31 HydrophobicContact CZ-CG2 4.23Å; F9-P54 HydrophobicContact CD2-CG 3.99Å; F9-P54 HydrophobicContact CE2-CG 3.95Å; F9-W56 HydrophobicContact CB-CE3 4.17Å; F9-W56 HydrophobicContact CB-CZ3 4.01Å; F9-S57 PolarHBondContact O-N 2.68Å; F9-F60 HydrophobicContact CD2-CE1 4.24Å; F9-F60 AromaticContact CE2-CE1 3.61Å; F9-F60 HydrophobicContact CE2-CE1 3.61Å; F9-F60 AromaticContact CE2-CZ 3.93Å; F9-F60 HydrophobicContact CE2-CZ 3.93Å; F9-F60 HydrophobicContact CZ-CE1 4Å; F9-F60 AromaticContact CZ-CZ 3.94Å; F9-F60 HydrophobicContact CZ-CZ 3.94Å; F9-M70 HydrophobicContact CZ-CE 4.25Å; F9-M70 HydrophobicContact CZ-SD 4.37Å; F9-V72 HydrophobicContact CE1-CG2 4.41Å; F9-V72 HydrophobicContact CE2-CG1 4.24Å; F9-V72 HydrophobicContact CZ-CG1 4.06Å; F9-V72 HydrophobicContact CZ-CG2 3.79Å; F9-L115 HydrophobicContact CB-CD1 4.26Å; F9-L115 HydrophobicContact CD1-CD2 3.79Å; F9-L115 HydrophobicContact CD1-CG 4.12Å; F9-L115 HydrophobicContact CE1-CD2 3.94Å; F9-L115 HydrophobicContact CG-CD1 4.48Å; F9-L115 HydrophobicContact CG-CD2 4.25Å; F9-L116 WeakPolarHBondContact CA-O 3.46Å; F9-M117 HydrophobicContact CD1-CB 3.92Å; F9-M117 HydrophobicContact CD1-CG 3.9Å; F9-M117 HydrophobicContact CE1-CB 4.05Å; F9-M117 HydrophobicContact CE1-CG 3.7Å; F9-M117 HydrophobicContact CE1-SD 3.88Å
10	S	82	Confident	72.6	Confident	40 Å²	40	71.1 Å²	71.1	28%	0.28	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-29.6	-171.1	48.1	0	0	0	0	114.2	L116	S10-L116 PolarHBondContact N-O 3.31Å; S10-L116 WeakPolarHBondContact OG-CD2 3.37Å; S10-L116 WeakPolarHBondContact OG-CG 3.43Å
11	N	83.8	Confident	71.5	Confident	69 Å²	69	75.7 Å²	75.7	37%	0.369	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	153.9	-179.8	-164.9	14.6	0	0	0	112.4	E13 W106 L116	N11-E13 PolarHBondContact ND2-OE1 3.2Å; N11-W106 HydrophobicContact CB-CH2 4.22Å; N11-L116 HydrophobicContact CB-CB 4.16Å; N11-L116 PolarHBondContact O-N 3.49Å
12	F	86.1	Confident	71	Confident	30 Å²	30	78.2 Å²	78.2	13%	0.132	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	127.6	172.2	170.7	-104.6	0	0	0	110.5	I14 P27 W56 V74 M109 R114 L115	F12-I14 HydrophobicContact CE1-CD1 3.83Å; F12-I14 HydrophobicContact CE1-CG1 3.7Å; F12-I14 HydrophobicContact CZ-CD1 4.1Å; F12-I14 HydrophobicContact CZ-CG1 3.74Å; F12-P27 HydrophobicContact CD1-CG 4.32Å; F12-W56 HydrophobicContact CB-CH2 3.57Å; F12-W56 HydrophobicContact CB-CZ2 4.33Å; F12-W56 HydrophobicContact CB-CZ3 4.11Å; F12-W56 HydrophobicContact CG-CH2 4.48Å; F12-V74 HydrophobicContact CD1-CG1 3.93Å; F12-V74 HydrophobicContact CD2-CG2 3.98Å; F12-V74 HydrophobicContact CE1-CG1 3.76Å; F12-V74 HydrophobicContact CE2-CB 4.4Å; F12-V74 HydrophobicContact CE2-CG1 4.38Å; F12-V74 HydrophobicContact CE2-CG2 4.11Å; F12-V74 HydrophobicContact CG-CG1 4.31Å; F12-V74 HydrophobicContact CG-CG2 4.31Å; F12-V74 HydrophobicContact CZ-CB 4.36Å; F12-V74 HydrophobicContact CZ-CG1 4Å; F12-M109 HydrophobicContact CE2-CG 4.12Å; F12-R114 WeakPolarHBondContact CA-O 3.42Å; F12-R114 VanDerWaalsContact CD2-O 3.28Å; F12-R114 WeakPolarHBondContact CD2-O 3.4Å; F12-L115 HydrophobicContact CB-CD1 3.97Å; F12-L115 HydrophobicContact CD2-CB 4.25Å; F12-L115 HydrophobicContact CD2-CD1 4.36Å
13	E	83.9	Confident	69.6	Low	62 Å²	62	85.4 Å²	85.4	29%	0.29	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.4	-173.2	-63.7	174.7	-178.8	0	0	110.7	N11 W106 G113 R114	N11-E13 PolarHBondContact ND2-OE1 3.2Å; E13-W106 VanDerWaalsContact CD-CH2 3.45Å; E13-W106 HydrophobicContact CG-CH2 4.06Å; E13-W106 HydrophobicContact CG-CZ3 4.23Å; E13-W106 VanDerWaalsContact OE1-CH2 3.28Å; E13-W106 WeakPolarHBondContact OE1-CH2 3.18Å; E13-G113 CarbonylContact O-C 3.19Å; E13-G113 WeakPolarHBondContact O-CA 3.38Å; E13-R114 HydrophobicContact CB-CG 4.09Å; E13-R114 PolarHBondContact N-O 3Å; E13-R114 PolarHBondContact O-N 3.32Å; E13-R114 IonicContact OE2-CZ 3.35Å; E13-R114 IonicContact OE2-NE 3.14Å; E13-R114 PolarHBondContact OE2-NE 3.15Å; E13-R114 IonicContact OE2-NH2 2.68Å; E13-R114 PolarHBondContact OE2-NH2 2.87Å
14	I	78.2	Confident	67.9	Low	71 Å²	71	88.9 Å²	88.9	36%	0.364	47%	0.469	S	S	.	.			trans	-118.8	141.6	170.5	-62.4	175.1	0	0	0	107.2	F12 Q112	F12-I14 HydrophobicContact CE1-CD1 3.83Å; F12-I14 HydrophobicContact CE1-CG1 3.7Å; F12-I14 HydrophobicContact CZ-CD1 4.1Å; F12-I14 HydrophobicContact CZ-CG1 3.74Å; I14-Q112 HydrophobicContact CG2-CG 4.32Å
15	D	66.1	Low	66.1	Low	141 Å²	141	91.6 Å²	91.6	75%	0.754	49%	0.485	S	S	*	.			trans	-57.4	132.6	-171.6	-158.5	15.6	0	0	0	112.1	G17	D15-G17 PolarHBondContact O-N 3.2Å
16	P	52.6	Low	65	Low	116 Å²	116	95.9 Å²	95.9	75%	0.753	51%	0.507	S	S	*	.	S	Bend	trans	-71	15	-161.9	-21.9	35.3	0	0	0	117.8	L18	P16-L18 PolarHBondContact O-N 2.84Å; P16-L18 VanDerWaalsContact O-N 3.1Å
17	G	51.8	Low	64.4	Low	74 Å²	74	92.7 Å²	92.7	76%	0.763	50%	0.499	S	S	*	.	S	Bend	trans	-69.1	-4.7	-170.8	0	0	0	0	0	116.7	D15	D15-G17 PolarHBondContact O-N 3.2Å
18	L	47.4	Very low	64	Low	147 Å²	147	96 Å²	96	77%	0.77	51%	0.512	S	S	*	.			trans	-135.1	84.3	-177.8	-82.3	164.7	0	0	0	111.4	P16 Y20	P16-L18 PolarHBondContact O-N 2.84Å; P16-L18 VanDerWaalsContact O-N 3.1Å; L18-Y20 VanDerWaalsContact C-N 3.26Å; L18-Y20 PolarHBondContact O-N 2.99Å
19	A	40.1	Very low	63.9	Low	100 Å²	100	95.9 Å²	95.9	83%	0.826	51%	0.51	S	S	*	.			trans	-70.8	71.8	175.5	0	0	0	0	0	112.6
20	Y	42.4	Very low	63.8	Low	213 Å²	213	95.8 Å²	95.8	84%	0.835	51%	0.509	S	S	*	.	S	Bend	trans	-157.4	24.6	169.3	-136.1	-90.5	0	0	0	115.3	L18	L18-Y20 VanDerWaalsContact C-N 3.26Å; L18-Y20 PolarHBondContact O-N 2.99Å
21	Y	48.4	Very low	64.2	Low	168 Å²	168	93.9 Å²	93.9	66%	0.659	50%	0.496	S	S	*	.			trans	-136.7	17.9	-168.3	-87	-78.6	0	0	0	117.4
22	E	40.4	Very low	64.5	Low	204 Å²	204	92.4 Å²	92.4	95%	0.953	49%	0.485	S	S	*	.	S	Bend	trans	-81.5	-18.1	-179.7	-71.3	-172	136.1	0	0	115.4
23	E	40.8	Very low	64.6	Low	199 Å²	199	91.5 Å²	91.5	93%	0.93	48%	0.482	S	S	*	.	S	Bend	trans	-91	-7.1	178.5	-69.6	-164.2	141.8	0	0	114.6
24	V	46.8	Very low	64.7	Low	106 Å²	106	90.8 Å²	90.8	64%	0.642	48%	0.478	S	S	*	.	S	Bend	trans	-135.7	91.1	179.2	-174.2	0	0	0	0	109.9
25	L	51.3	Low	65.1	Low	82 Å²	82	89.3 Å²	89.3	43%	0.429	47%	0.47	S	S	.	.			trans	175	122.4	144.9	-93.4	155.6	0	0	0	109.7	P27 D76	L25-P27 WeakPolarHBondContact O-CD 3.45Å; L25-D76 HydrophobicContact CD2-CB 3.24Å
26	N	63.5	Low	65.9	Low	89 Å²	89	84 Å²	84	48%	0.476	45%	0.445	S	S	.	.			trans	-111.8	89	160.3	-177.1	-3.2	0	0	0	106.3
27	P	76	Confident	67.2	Low	28 Å²	28	81 Å²	81	18%	0.182	43%	0.425	C	S	.	.			trans	-72	159	-176.5	30.7	-34.5	0	0	0	111	F12 L25 W56 V74 K75	F12-P27 HydrophobicContact CD1-CG 4.32Å; L25-P27 WeakPolarHBondContact O-CD 3.45Å; P27-W56 HydrophobicContact CG-CZ2 4.25Å; P27-W56 PolarHBondContact O-NE1 3.08Å; P27-V74 HydrophobicContact CB-CG1 3.76Å; P27-K75 CarbonylContact C-O 3.39Å; P27-K75 VanDerWaalsContact CA-O 3.22Å; P27-K75 WeakPolarHBondContact CA-O 3.41Å
28	Y	83.8	Confident	68.5	Low	70 Å²	70	83.4 Å²	83.4	28%	0.275	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	150.9	173.1	67.5	-91.1	0	0	0	111.5	Y53 K75 D76	Y28-Y53 HydrophobicContact CD2-CD1 4.01Å; Y28-Y53 AromaticContact CE2-CD1 3.86Å; Y28-Y53 HydrophobicContact CE2-CD1 3.86Å; Y28-Y53 AromaticContact CE2-CE1 3.93Å; Y28-Y53 HydrophobicContact CE2-CE1 3.93Å; Y28-K75 HydrophobicContact CE1-CB 4.08Å; Y28-K75 HydrophobicContact CE2-CB 4.07Å; Y28-K75 HydrophobicContact CE2-CD 4.43Å; Y28-K75 PolarHBondContact N-O 3.27Å; Y28-K75 PolarHBondContact O-N 3.4Å; Y28-D76 WeakPolarHBondContact CE1-O 3.45Å
29	C	86.2	Confident	69.9	Low	2 Å²	2	79.6 Å²	79.6	1%	0.014	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	137.1	177.1	-69.2	0	0	0	0	111.6	F9 Y53 P54 W56 M73	F9-C29 HydrophobicContact CD2-CB 4.2Å; F9-C29 HydrophobicContact CE2-CB 4.47Å; C29-Y53 WeakPolarHBondContact O-CA 3.47Å; C29-P54 HydrophobicContact CB-CG 4.29Å; C29-W56 WeakPolarHBondContact SG-CH2 3.29Å; C29-M73 CarbonylContact C-O 3.48Å; C29-M73 WeakPolarHBondContact CA-O 3.42Å
30	A	87.7	Confident	71.5	Confident	0 Å²	0	84.5 Å²	84.5	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.9	165.9	0	0	0	0	0	108.6	Y32 T51 M52 Y53 M73	A30-Y32 HydrophobicContact CB-CE2 3.9Å; A30-T51 HydrophobicContact CB-CG2 4.05Å; A30-M52 WeakPolarHBondContact CA-O 3.37Å; A30-Y53 HydrophobicContact CB-CD1 3.89Å; A30-Y53 HydrophobicContact CB-CE1 3.59Å; A30-M73 HydrophobicContact CB-CB 4.41Å; A30-M73 PolarHBondContact N-O 3.48Å; A30-M73 PolarHBondContact O-N 2.68Å
31	V	90.1	Very high	72.9	Confident	0 Å²	0	84.2 Å²	84.2	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.2	-175	-174.6	0	0	0	0	110.4	F9 M33 M52 P54 F60 M70	F9-V31 HydrophobicContact CE2-CG2 3.67Å; F9-V31 HydrophobicContact CZ-CG2 4.23Å; V31-M33 HydrophobicContact CG1-SD 4.37Å; V31-M52 HydrophobicContact CB-CB 4.32Å; V31-M52 HydrophobicContact CB-CE 3.93Å; V31-M52 HydrophobicContact CG1-CE 3.63Å; V31-M52 PolarHBondContact N-O 2.96Å; V31-M52 PolarHBondContact O-N 2.84Å; V31-P54 HydrophobicContact CG2-CG 3.77Å; V31-F60 HydrophobicContact CG1-CE2 4.29Å; V31-F60 HydrophobicContact CG1-CZ 4.22Å; V31-F60 HydrophobicContact CG2-CE1 4.48Å; V31-F60 HydrophobicContact CG2-CZ 4.21Å; V31-M70 HydrophobicContact CG1-CG 3.48Å; V31-M70 VanDerWaalsContact CG1-CG 3.48Å; V31-M70 HydrophobicContact CG1-SD 3.91Å
32	Y	90.4	Very high	74.1	Confident	38 Å²	38	78.1 Å²	78.1	15%	0.149	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	107.6	-178.7	-66.2	-102.5	0	0	0	109.4	A30 K34 Q47 T51 H71 M73 K75	A30-Y32 HydrophobicContact CB-CE2 3.9Å; Y32-K34 PolarHBondContact O-N 3.24Å; Y32-Q47 VanDerWaalsContact CD1-OE1 3.3Å; Y32-T51 HydrophobicContact CD1-CG2 4.27Å; Y32-T51 WeakPolarHBondContact CD1-OG1 3.36Å; Y32-T51 HydrophobicContact CD2-CG2 4.08Å; Y32-T51 HydrophobicContact CE1-CG2 3.97Å; Y32-T51 WeakPolarHBondContact CE1-OG1 3.28Å; Y32-T51 HydrophobicContact CE2-CG2 3.74Å; Y32-T51 HydrophobicContact CG-CG2 4.32Å; Y32-H71 AromaticContact CD2-CE1 3.99Å; Y32-H71 AromaticContact CG-CE1 3.92Å; Y32-H71 PolarHBondContact N-O 3.37Å; Y32-H71 PolarHBondContact O-N 3.22Å; Y32-M73 HydrophobicContact CD2-CE 4.1Å; Y32-M73 HydrophobicContact CD2-CG 4.34Å; Y32-M73 HydrophobicContact CD2-SD 4.02Å; Y32-M73 HydrophobicContact CE2-CE 3.84Å; Y32-M73 HydrophobicContact CE2-CG 4.1Å; Y32-M73 HydrophobicContact CE2-SD 3.35Å; Y32-M73 WeakPolarHBondContact CE2-SD 3.45Å; Y32-K75 PolarHBondContact OH-NZ 2.72Å
33	M	88.8	Confident	75.7	Confident	11 Å²	11	73.3 Å²	73.3	5%	0.054	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	109.7	174.5	-62.6	-64.4	-70.4	0	0	109.1	V31 M52 A62 M70 L89	V31-M33 HydrophobicContact CG1-SD 4.37Å; M33-M52 HydrophobicContact CG-CE 3.66Å; M33-M52 HydrophobicContact CG-SD 4.46Å; M33-M52 HydrophobicContact SD-CE 4.04Å; M33-A62 HydrophobicContact CE-CB 3.89Å; M33-M70 HydrophobicContact SD-CB 4.16Å; M33-M70 HydrophobicContact SD-CG 4.1Å; M33-L89 HydrophobicContact CE-CD1 3.51Å; M33-L89 HydrophobicContact SD-CD1 4.41Å
34	K	87	Confident	77.6	Confident	47 Å²	47	67.7 Å²	67.7	20%	0.204	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	143.5	-178.1	-54.6	173.4	-179.9	172.4	0	110.9	Y32 Q47 R68 I69 H71	Y32-K34 PolarHBondContact O-N 3.24Å; K34-Q47 HydrophobicContact CG-CB 4.47Å; K34-R68 WeakPolarHBondContact O-CG 3.44Å; K34-I69 HydrophobicContact CB-CD1 4.27Å; K34-I69 HydrophobicContact CB-CG1 3.82Å; K34-I69 HydrophobicContact CD-CD1 4.21Å; K34-I69 PolarHBondContact N-O 3.38Å; K34-I69 PolarHBondContact O-N 2.99Å; K34-H71 HydrophobicContact CD-CB 4.48Å; K34-H71 VanDerWaalsContact CE-CE1 3.42Å; K34-H71 WeakPolarHBondContact CE-CE1 3.25Å; K34-H71 PolarHBondContact NZ-CE1 3.47Å; K34-H71 PolarHBondContact NZ-ND1 3.29Å; K34-H71 VanDerWaalsContact NZ-ND1 3.17Å
35	E	86.4	Confident	79.4	Confident	41 Å²	41	67.5 Å²	67.5	19%	0.192	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.5	177.4	-70.8	164	-153.1	0	0	109	Y45 K46 K48 R68	E35-Y45 CarbonylContact O-C 3.11Å; E35-Y45 WeakPolarHBondContact O-CA 3.27Å; E35-K46 PolarHBondContact N-O 3.47Å; E35-K46 PolarHBondContact O-N 3.06Å; E35-K48 VanDerWaalsContact OE2-CD 3.27Å; E35-K48 WeakPolarHBondContact OE2-CD 3.33Å; E35-K48 WeakPolarHBondContact OE2-CE 3.1Å; E35-K48 IonicContact OE2-NZ 2.68Å; E35-K48 PolarHBondContact OE2-NZ 3.33Å; E35-R68 HydrophobicContact CG-CG 4.33Å; E35-R68 IonicContact OE1-NH2 2.73Å; E35-R68 PolarHBondContact OE1-NH2 3.33Å
36	A	81.7	Confident	80.8	Confident	30 Å²	30	69.9 Å²	69.9	25%	0.248	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	133.2	167.3	0	0	0	0	0	110.3	Q43 Y45 G67	A36-Q43 HydrophobicContact CB-CG 3.77Å; A36-Y45 HydrophobicContact CB-CD1 4.35Å; A36-Y45 HydrophobicContact CB-CE1 4.01Å; A36-G67 WeakPolarHBondContact CB-O 3.49Å; A36-G67 PolarHBondContact N-O 2.82Å
37	V	81	Confident	81.7	Confident	52 Å²	52	69 Å²	69	32%	0.315	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	117.7	171.6	-178.1	0	0	0	0	106.6	V44 K46	V37-V44 PolarHBondContact N-O 2.75Å; V37-V44 PolarHBondContact O-N 3.19Å; V37-K46 HydrophobicContact CG2-CB 3.86Å
38	D	78.2	Confident	81.4	Confident	125 Å²	125	74.1 Å²	74.1	67%	0.668	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	133.8	176.8	-58	-44.2	0	0	0	109.6	Q43	D38-Q43 WeakPolarHBondContact OD1-CG 3.19Å; D38-Q43 PolarHBondContact OD1-NE2 3.34Å
39	T	77.8	Confident	80.7	Confident	66 Å²	66	77.1 Å²	77.1	41%	0.405	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	164.6	178.1	76	0	0	0	0	109.5	K41 G42 V44	T39-K41 PolarHBondContact O-N 2.88Å; T39-K41 PolarHBondContact OG1-N 2.9Å; T39-G42 WeakPolarHBondContact CB-O 3.48Å; T39-G42 PolarHBondContact N-O 3.08Å; T39-G42 PolarHBondContact O-N 2.66Å; T39-G42 PolarHBondContact OG1-O 3.48Å; T39-V44 HydrophobicContact CG2-CB 4.23Å; T39-V44 HydrophobicContact CG2-CG2 3.94Å
40	E	72.8	Confident	79.9	Confident	204 Å²	204	82.4 Å²	82.4	95%	0.953	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-15.3	175.4	-61.8	173.4	176.3	0	0	114
41	K	71.5	Confident	79.7	Confident	207 Å²	207	83.8 Å²	83.8	90%	0.9	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	14.6	177.8	-60.2	-174.2	179.7	-177.4	0	113.3	T39	T39-K41 PolarHBondContact O-N 2.88Å; T39-K41 PolarHBondContact OG1-N 2.9Å
42	G	74.4	Confident	79.3	Confident	39 Å²	39	86.7 Å²	86.7	40%	0.402	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	103.5	-172.1	-176.6	0	0	0	0	0	113.6	T39	T39-G42 WeakPolarHBondContact CB-O 3.48Å; T39-G42 PolarHBondContact N-O 3.08Å; T39-G42 PolarHBondContact O-N 2.66Å; T39-G42 PolarHBondContact OG1-O 3.48Å
43	Q	73.8	Confident	79.1	Confident	104 Å²	104	91.1 Å²	91.1	49%	0.486	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	125	-172.9	-171.7	166.1	87.2	0	0	112	A36 D38	A36-Q43 HydrophobicContact CB-CG 3.77Å; D38-Q43 WeakPolarHBondContact OD1-CG 3.19Å; D38-Q43 PolarHBondContact OD1-NE2 3.34Å
44	V	80.9	Confident	78.5	Confident	80 Å²	80	91.4 Å²	91.4	49%	0.485	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.6	-176.7	-178.1	0	0	0	0	110.3	V37 T39 K46	V37-V44 PolarHBondContact N-O 2.75Å; V37-V44 PolarHBondContact O-N 3.19Å; T39-V44 HydrophobicContact CG2-CB 4.23Å; T39-V44 HydrophobicContact CG2-CG2 3.94Å; V44-K46 PolarHBondContact O-N 2.86Å
45	Y	83.6	Confident	78.1	Confident	102 Å²	102	93.4 Å²	93.4	40%	0.4	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	111.1	-179.2	-69.5	-78.1	0	0	0	112.3	E35 A36 I69	E35-Y45 CarbonylContact O-C 3.11Å; E35-Y45 WeakPolarHBondContact O-CA 3.27Å; A36-Y45 HydrophobicContact CB-CD1 4.35Å; A36-Y45 HydrophobicContact CB-CE1 4.01Å; Y45-I69 HydrophobicContact CD1-CD1 3.47Å; Y45-I69 VanDerWaalsContact CD1-CD1 3.47Å; Y45-I69 HydrophobicContact CD1-CG1 3.71Å; Y45-I69 HydrophobicContact CD1-CG2 4.5Å; Y45-I69 HydrophobicContact CD2-CD1 4.06Å; Y45-I69 HydrophobicContact CE1-CD1 3.74Å; Y45-I69 HydrophobicContact CE1-CG1 3.94Å; Y45-I69 HydrophobicContact CE1-CG2 3.84Å; Y45-I69 HydrophobicContact CE2-CD1 4.31Å; Y45-I69 HydrophobicContact CG-CD1 3.63Å; Y45-I69 HydrophobicContact CG-CG1 4.34Å
46	K	80.9	Confident	77.9	Confident	133 Å²	133	95.1 Å²	95.1	58%	0.578	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	133.3	178.5	-169.2	172	-179	177.1	0	111.4	E35 V37 V44	E35-K46 PolarHBondContact N-O 3.47Å; E35-K46 PolarHBondContact O-N 3.06Å; V37-K46 HydrophobicContact CG2-CB 3.86Å; V44-K46 PolarHBondContact O-N 2.86Å
47	Q	81.7	Confident	77.9	Confident	69 Å²	69	98.4 Å²	98.4	32%	0.322	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	124.3	167.9	-179	177.4	5.1	0	0	109.3	Y32 K34 K49 T51	Y32-Q47 VanDerWaalsContact CD1-OE1 3.3Å; K34-Q47 HydrophobicContact CG-CB 4.47Å; Q47-K49 WeakPolarHBondContact CG-O 3.23Å; Q47-K49 PolarHBondContact NE2-O 2.78Å; Q47-T51 PolarHBondContact NE2-OG1 2.93Å
48	K	69.9	Low	77.9	Confident	137 Å²	137	97.6 Å²	97.6	60%	0.596	50%	0.496	S	S	*	.			trans	-107.8	-28.4	174.5	-65.5	-175	-168.5	155.1	0	113.8	E35	E35-K48 VanDerWaalsContact OE2-CD 3.27Å; E35-K48 WeakPolarHBondContact OE2-CD 3.33Å; E35-K48 WeakPolarHBondContact OE2-CE 3.1Å; E35-K48 IonicContact OE2-NZ 2.68Å; E35-K48 PolarHBondContact OE2-NZ 3.33Å
49	K	70.4	Confident	78.2	Confident	133 Å²	133	95.9 Å²	95.9	58%	0.578	49%	0.49	S	S	*	.	S	Bend	trans	-101.8	153.8	178.5	-66.8	-162.3	174.6	-162.8	0	111.5	Q47	Q47-K49 WeakPolarHBondContact CG-O 3.23Å; Q47-K49 PolarHBondContact NE2-O 2.78Å
50	P	69.5	Low	78.5	Confident	112 Å²	112	94.1 Å²	94.1	73%	0.727	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-52.9	155	173.6	-26.3	35.5	0	0	0	113.3
51	T	82.5	Confident	79.3	Confident	30 Å²	30	87.2 Å²	87.2	18%	0.184	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-68.5	131.8	172.9	-60.2	0	0	0	0	109.6	A30 Y32 Q47 Y53	A30-T51 HydrophobicContact CB-CG2 4.05Å; Y32-T51 HydrophobicContact CD1-CG2 4.27Å; Y32-T51 WeakPolarHBondContact CD1-OG1 3.36Å; Y32-T51 HydrophobicContact CD2-CG2 4.08Å; Y32-T51 HydrophobicContact CE1-CG2 3.97Å; Y32-T51 WeakPolarHBondContact CE1-OG1 3.28Å; Y32-T51 HydrophobicContact CE2-CG2 3.74Å; Y32-T51 HydrophobicContact CG-CG2 4.32Å; Q47-T51 PolarHBondContact NE2-OG1 2.93Å; T51-Y53 HydrophobicContact CG2-CE1 4.2Å; T51-Y53 HydrophobicContact CG2-CE2 4.03Å; T51-Y53 WeakPolarHBondContact O-CE2 3.5Å
52	M	82.3	Confident	80	Confident	60 Å²	60	77.4 Å²	77.4	30%	0.296	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-92.1	146.9	177.9	-51.8	178.7	-56.3	0	0	109.8	A30 V31 M33 F60	A30-M52 WeakPolarHBondContact CA-O 3.37Å; V31-M52 HydrophobicContact CB-CB 4.32Å; V31-M52 HydrophobicContact CB-CE 3.93Å; V31-M52 HydrophobicContact CG1-CE 3.63Å; V31-M52 PolarHBondContact N-O 2.96Å; V31-M52 PolarHBondContact O-N 2.84Å; M33-M52 HydrophobicContact CG-CE 3.66Å; M33-M52 HydrophobicContact CG-SD 4.46Å; M33-M52 HydrophobicContact SD-CE 4.04Å; M52-F60 HydrophobicContact CE-CD2 3.48Å; M52-F60 VanDerWaalsContact CE-CD2 3.48Å; M52-F60 HydrophobicContact CE-CE2 3.54Å; M52-F60 HydrophobicContact CE-CG 4.3Å; M52-F60 HydrophobicContact CE-CZ 4.41Å; M52-F60 HydrophobicContact SD-CD2 4.26Å
53	Y	85.4	Confident	80.6	Confident	131 Å²	131	78.4 Å²	78.4	51%	0.514	40%	0.399	S	S	.	.			trans	-126	71.9	177.6	-61.1	-85.7	0	0	0	109.4	Y28 C29 A30 T51 P55	Y28-Y53 HydrophobicContact CD2-CD1 4.01Å; Y28-Y53 AromaticContact CE2-CD1 3.86Å; Y28-Y53 HydrophobicContact CE2-CD1 3.86Å; Y28-Y53 AromaticContact CE2-CE1 3.93Å; Y28-Y53 HydrophobicContact CE2-CE1 3.93Å; C29-Y53 WeakPolarHBondContact O-CA 3.47Å; A30-Y53 HydrophobicContact CB-CD1 3.89Å; A30-Y53 HydrophobicContact CB-CE1 3.59Å; T51-Y53 HydrophobicContact CG2-CE1 4.2Å; T51-Y53 HydrophobicContact CG2-CE2 4.03Å; T51-Y53 WeakPolarHBondContact O-CE2 3.5Å; Y53-P55 WeakPolarHBondContact O-CD 3.43Å
54	P	76.6	Confident	81	Confident	17 Å²	17	74.3 Å²	74.3	11%	0.11	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-64.9	129.1	-177	27.2	-33.6	0	0	0	110.4	F9 C29 V31 F60	F9-P54 HydrophobicContact CD2-CG 3.99Å; F9-P54 HydrophobicContact CE2-CG 3.95Å; C29-P54 HydrophobicContact CB-CG 4.29Å; V31-P54 HydrophobicContact CG2-CG 3.77Å; P54-F60 HydrophobicContact CB-CD1 3.79Å; P54-F60 HydrophobicContact CB-CE1 4.14Å; P54-F60 HydrophobicContact CG-CD1 4.07Å; P54-F60 HydrophobicContact CG-CE1 3.95Å
55	P	77.9	Confident	81.1	Confident	90 Å²	90	74.6 Å²	74.6	58%	0.584	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-57	150.9	166.6	-24.8	33.7	0	0	0	112.1	Y53 S58	Y53-P55 WeakPolarHBondContact O-CD 3.43Å; P55-S58 VanDerWaalsContact CD-OG 3.31Å; P55-S58 WeakPolarHBondContact CD-OG 3.23Å; P55-S58 WeakPolarHBondContact O-CB 3.14Å; P55-S58 PolarHBondContact O-N 3.27Å; P55-S58 PolarHBondContact O-OG 3.36Å
56	W	82.7	Confident	80.7	Confident	76 Å²	76	81.3 Å²	81.3	29%	0.288	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	142.4	168.5	-62.9	111.1	0	0	0	111	F9 F12 P27 C29 S58 L115	F9-W56 HydrophobicContact CB-CE3 4.17Å; F9-W56 HydrophobicContact CB-CZ3 4.01Å; F12-W56 HydrophobicContact CB-CH2 3.57Å; F12-W56 HydrophobicContact CB-CZ2 4.33Å; F12-W56 HydrophobicContact CB-CZ3 4.11Å; F12-W56 HydrophobicContact CG-CH2 4.48Å; P27-W56 HydrophobicContact CG-CZ2 4.25Å; P27-W56 PolarHBondContact O-NE1 3.08Å; C29-W56 WeakPolarHBondContact SG-CH2 3.29Å; W56-S58 PolarHBondContact O-N 3.3Å; W56-L115 HydrophobicContact CH2-CD1 3.61Å; W56-L115 HydrophobicContact CZ3-CD1 3.5Å
57	S	82.1	Confident	80.5	Confident	100 Å²	100	76 Å²	76	70%	0.699	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	21.7	-176.4	-54.6	0	0	0	0	115	F9	F9-S57 PolarHBondContact O-N 2.68Å
58	S	81.4	Confident	80.7	Confident	35 Å²	35	73.4 Å²	73.4	25%	0.245	37%	0.372	C	S	.	.			trans	-109.1	164.9	169	78	0	0	0	0	111.7	G8 P55 W56	G8-S58 WeakPolarHBondContact CA-O 3.34Å; P55-S58 VanDerWaalsContact CD-OG 3.31Å; P55-S58 WeakPolarHBondContact CD-OG 3.23Å; P55-S58 WeakPolarHBondContact O-CB 3.14Å; P55-S58 PolarHBondContact O-N 3.27Å; P55-S58 PolarHBondContact O-OG 3.36Å; W56-S58 PolarHBondContact O-N 3.3Å
59	T	84.3	Confident	81.8	Confident	89 Å²	89	67.7 Å²	67.7	55%	0.546	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	148	179	63.7	0	0	0	0	113.2	R6 I7	R6-T59 HydrophobicContact CG-CG2 4.22Å; I7-T59 CarbonylContact O-C 3.49Å; I7-T59 WeakPolarHBondContact O-CA 3.37Å
60	F	84.9	Confident	82.8	Confident	28 Å²	28	61.3 Å²	61.3	12%	0.123	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	154.5	174.7	62.7	-84.9	0	0	0	111.5	I7 F9 V31 M52 P54 M70	I7-F60 HydrophobicContact CB-CE1 4.13Å; I7-F60 HydrophobicContact CB-CE2 4.1Å; I7-F60 HydrophobicContact CB-CZ 3.82Å; I7-F60 HydrophobicContact CG2-CE1 4.03Å; I7-F60 HydrophobicContact CG2-CE2 4.48Å; I7-F60 HydrophobicContact CG2-CZ 3.76Å; I7-F60 PolarHBondContact N-O 2.8Å; I7-F60 VanDerWaalsContact O-CD1 3.28Å; I7-F60 WeakPolarHBondContact O-CD1 3.47Å; I7-F60 PolarHBondContact O-N 3.37Å; F9-F60 HydrophobicContact CD2-CE1 4.24Å; F9-F60 AromaticContact CE2-CE1 3.61Å; F9-F60 HydrophobicContact CE2-CE1 3.61Å; F9-F60 AromaticContact CE2-CZ 3.93Å; F9-F60 HydrophobicContact CE2-CZ 3.93Å; F9-F60 HydrophobicContact CZ-CE1 4Å; F9-F60 AromaticContact CZ-CZ 3.94Å; F9-F60 HydrophobicContact CZ-CZ 3.94Å; V31-F60 HydrophobicContact CG1-CE2 4.29Å; V31-F60 HydrophobicContact CG1-CZ 4.22Å; V31-F60 HydrophobicContact CG2-CE1 4.48Å; V31-F60 HydrophobicContact CG2-CZ 4.21Å; M52-F60 HydrophobicContact CE-CD2 3.48Å; M52-F60 VanDerWaalsContact CE-CD2 3.48Å; M52-F60 HydrophobicContact CE-CE2 3.54Å; M52-F60 HydrophobicContact CE-CG 4.3Å; M52-F60 HydrophobicContact CE-CZ 4.41Å; M52-F60 HydrophobicContact SD-CD2 4.26Å; P54-F60 HydrophobicContact CB-CD1 3.79Å; P54-F60 HydrophobicContact CB-CE1 4.14Å; P54-F60 HydrophobicContact CG-CD1 4.07Å; P54-F60 HydrophobicContact CG-CE1 3.95Å; F60-M70 HydrophobicContact CE2-SD 3.94Å; F60-M70 HydrophobicContact CZ-SD 3.72Å
61	D	89.1	Confident	84	Confident	60 Å²	60	57.1 Å²	57.1	32%	0.321	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.2	-176	-69.7	-22.5	0	0	0	113	F4 L5 R6	F4-D61 HydrophobicContact CD2-CB 3.99Å; F4-D61 HydrophobicContact CE2-CB 4.27Å; L5-D61 CarbonylContact O-C 3.56Å; L5-D61 WeakPolarHBondContact O-CA 3.42Å; R6-D61 WeakPolarHBondContact CA-OD1 3.42Å; R6-D61 WeakPolarHBondContact CB-OD1 3.46Å; R6-D61 WeakPolarHBondContact CG-OD1 3.27Å; R6-D61 IonicContact CZ-OD1 3.89Å; R6-D61 IonicContact CZ-OD2 3.18Å; R6-D61 IonicContact NE-OD1 3.73Å; R6-D61 PolarHBondContact NE-OD1 3.22Å; R6-D61 IonicContact NE-OD2 3.84Å; R6-D61 IonicContact NH2-OD1 2.8Å; R6-D61 PolarHBondContact NH2-OD1 3.29Å; R6-D61 IonicContact NH2-OD2 3.68Å; R6-D61 PolarHBondContact NH2-OD2 3.15Å
62	A	85.4	Confident	84.5	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.008	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	105.7	-175.5	0	0	0	0	0	110.6	F4 L5 I7 M33 V64 L89	F4-A62 WeakPolarHBondContact CA-O 3.44Å; L5-A62 PolarHBondContact N-O 3.46Å; L5-A62 PolarHBondContact O-N 3.47Å; I7-A62 HydrophobicContact CD1-CB 3.83Å; M33-A62 HydrophobicContact CE-CB 3.89Å; A62-V64 PolarHBondContact O-N 3.22Å; A62-L89 HydrophobicContact CB-CD1 4.2Å; A62-L89 HydrophobicContact CB-CD2 4.26Å
63	H	86.4	Confident	84.9	Confident	60 Å²	60	54 Å²	54	28%	0.278	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	134	-179.8	-62.6	50.5	0	0	0	111.1	F4 R68	F4-H63 HydrophobicContact CB-CB 4.48Å; H63-R68 VanDerWaalsContact O-CD 3.28Å; H63-R68 WeakPolarHBondContact O-CD 3.35Å; H63-R68 PolarHBondContact O-NH1 3.35Å
64	V	84.1	Confident	85	Confident	18 Å²	18	47.7 Å²	47.7	11%	0.109	25%	0.249	C	C	.	.			trans	-89	116	-174.2	178.9	0	0	0	0	109.3	P3 L5 A62 D90 A93	P3-V64 HydrophobicContact CB-CB 4.25Å; P3-V64 HydrophobicContact CG-CB 4.08Å; P3-V64 PolarHBondContact O-N 3.44Å; L5-V64 HydrophobicContact CD1-CG2 3.9Å; L5-V64 HydrophobicContact CG-CG2 3.82Å; A62-V64 PolarHBondContact O-N 3.22Å; V64-D90 HydrophobicContact CG1-CB 4.28Å; V64-A93 HydrophobicContact CG1-CB 4.04Å; V64-A93 HydrophobicContact CG2-CB 3.84Å
65	H	81.6	Confident	85.3	Confident	85 Å²	85	48.1 Å²	48.1	39%	0.394	25%	0.249	S	C	.	.			trans	-130.6	149.6	174.1	-49.1	-43.2	0	0	0	108.6	G67 R68	H65-G67 PolarHBondContact O-N 2.83Å; H65-R68 HydrophobicContact CB-CB 4.19Å; H65-R68 PolarHBondContact CD2-NH1 3.03Å; H65-R68 PolarHBondContact NE2-NH1 2.74Å; H65-R68 VanDerWaalsContact O-CB 3.3Å; H65-R68 WeakPolarHBondContact O-CB 3.26Å; H65-R68 PolarHBondContact O-N 2.85Å; H65-R68 VanDerWaalsContact O-N 3.13Å
66	R	75.8	Confident	85.2	Confident	243 Å²	243	44 Å²	44	92%	0.917	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	133.7	175.8	-80.7	-178.1	166.5	175.4	-4.5	110.1	R68	R66-R68 PolarHBondContact O-N 3.1Å
67	G	76.8	Confident	84.4	Confident	23 Å²	23	49.5 Å²	49.5	24%	0.237	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	14.5	-179.7	0	0	0	0	0	114.9	A36 H65	A36-G67 WeakPolarHBondContact CB-O 3.49Å; A36-G67 PolarHBondContact N-O 2.82Å; H65-G67 PolarHBondContact O-N 2.83Å
68	R	86.2	Confident	83.6	Confident	13 Å²	13	49.5 Å²	49.5	5%	0.049	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	127.7	174.1	-163.2	-175.9	-159	168.8	15.1	111.1	K34 E35 H63 H65 R66 L89	K34-R68 WeakPolarHBondContact O-CG 3.44Å; E35-R68 HydrophobicContact CG-CG 4.33Å; E35-R68 IonicContact OE1-NH2 2.73Å; E35-R68 PolarHBondContact OE1-NH2 3.33Å; H63-R68 VanDerWaalsContact O-CD 3.28Å; H63-R68 WeakPolarHBondContact O-CD 3.35Å; H63-R68 PolarHBondContact O-NH1 3.35Å; H65-R68 HydrophobicContact CB-CB 4.19Å; H65-R68 PolarHBondContact CD2-NH1 3.03Å; H65-R68 PolarHBondContact NE2-NH1 2.74Å; H65-R68 VanDerWaalsContact O-CB 3.3Å; H65-R68 WeakPolarHBondContact O-CB 3.26Å; H65-R68 PolarHBondContact O-N 2.85Å; H65-R68 VanDerWaalsContact O-N 3.13Å; R66-R68 PolarHBondContact O-N 3.1Å; R68-L89 HydrophobicContact CB-CD1 4.48Å; R68-L89 HydrophobicContact CG-CD1 4.06Å; R68-L89 PolarHBondContact O-N 3.16Å; R68-L89 VanDerWaalsContact O-N 3.1Å
69	I	91.5	Very high	82.9	Confident	17 Å²	17	52 Å²	52	9%	0.087	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	145.2	178.6	65.6	173.8	0	0	0	111.5	K34 Y45 T86 V87	K34-I69 HydrophobicContact CB-CD1 4.27Å; K34-I69 HydrophobicContact CB-CG1 3.82Å; K34-I69 HydrophobicContact CD-CD1 4.21Å; K34-I69 PolarHBondContact N-O 3.38Å; K34-I69 PolarHBondContact O-N 2.99Å; Y45-I69 HydrophobicContact CD1-CD1 3.47Å; Y45-I69 VanDerWaalsContact CD1-CD1 3.47Å; Y45-I69 HydrophobicContact CD1-CG1 3.71Å; Y45-I69 HydrophobicContact CD1-CG2 4.5Å; Y45-I69 HydrophobicContact CD2-CD1 4.06Å; Y45-I69 HydrophobicContact CE1-CD1 3.74Å; Y45-I69 HydrophobicContact CE1-CG1 3.94Å; Y45-I69 HydrophobicContact CE1-CG2 3.84Å; Y45-I69 HydrophobicContact CE2-CD1 4.31Å; Y45-I69 HydrophobicContact CG-CD1 3.63Å; Y45-I69 HydrophobicContact CG-CG1 4.34Å; I69-T86 HydrophobicContact CB-CG2 4Å; I69-T86 HydrophobicContact CD1-CG2 3.82Å; I69-T86 HydrophobicContact CG1-CG2 4.38Å; I69-T86 HydrophobicContact CG2-CG2 4.38Å; I69-V87 WeakPolarHBondContact CA-O 3.36Å
70	M	93.4	Very high	82.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.6	167.2	-179.3	178.7	68.6	0	0	107.9	I7 F9 V31 M33 F60 V72 V87 L89 M117	I7-M70 HydrophobicContact CD1-CE 4.01Å; I7-M70 HydrophobicContact CD1-SD 3.81Å; I7-M70 HydrophobicContact CG2-CE 4.31Å; I7-M70 HydrophobicContact CG2-SD 4.44Å; F9-M70 HydrophobicContact CZ-CE 4.25Å; F9-M70 HydrophobicContact CZ-SD 4.37Å; V31-M70 HydrophobicContact CG1-CG 3.48Å; V31-M70 VanDerWaalsContact CG1-CG 3.48Å; V31-M70 HydrophobicContact CG1-SD 3.91Å; M33-M70 HydrophobicContact SD-CB 4.16Å; M33-M70 HydrophobicContact SD-CG 4.1Å; F60-M70 HydrophobicContact CE2-SD 3.94Å; F60-M70 HydrophobicContact CZ-SD 3.72Å; M70-V72 HydrophobicContact CE-CG2 3.83Å; M70-V72 HydrophobicContact CG-CG2 3.92Å; M70-V72 HydrophobicContact SD-CG2 4.16Å; M70-V87 HydrophobicContact CE-CB 4.15Å; M70-V87 HydrophobicContact CE-CG2 4.24Å; M70-V87 PolarHBondContact N-O 3.26Å; M70-V87 PolarHBondContact O-N 3.22Å; M70-L89 HydrophobicContact CB-CD1 4.42Å; M70-L89 HydrophobicContact CB-CD2 3.95Å; M70-L89 HydrophobicContact CB-CG 4.2Å; M70-M117 HydrophobicContact CE-SD 3.73Å
71	H	93.5	Very high	82.1	Confident	24 Å²	24	55.9 Å²	55.9	11%	0.111	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	111.3	176.2	-178.3	-144.9	0	0	0	109	Y32 K34 M73 E84 A85 T86	Y32-H71 AromaticContact CD2-CE1 3.99Å; Y32-H71 AromaticContact CG-CE1 3.92Å; Y32-H71 PolarHBondContact N-O 3.37Å; Y32-H71 PolarHBondContact O-N 3.22Å; K34-H71 HydrophobicContact CD-CB 4.48Å; K34-H71 VanDerWaalsContact CE-CE1 3.42Å; K34-H71 WeakPolarHBondContact CE-CE1 3.25Å; K34-H71 PolarHBondContact NZ-CE1 3.47Å; K34-H71 PolarHBondContact NZ-ND1 3.29Å; K34-H71 VanDerWaalsContact NZ-ND1 3.17Å; H71-M73 WeakPolarHBondContact CE1-CE 3.29Å; H71-M73 WeakPolarHBondContact NE2-CE 3.29Å; H71-E84 IonicContact NE2-OE2 3.7Å; H71-E84 PolarHBondContact NE2-OE2 3.11Å; H71-A85 PolarHBondContact CD2-O 2.97Å; H71-T86 PolarHBondContact CD2-OG1 2.85Å
72	V	93.6	Very high	81.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.5	-175.3	-172.8	0	0	0	0	109	F9 M70 E84 A85 M109 L115	F9-V72 HydrophobicContact CE1-CG2 4.41Å; F9-V72 HydrophobicContact CE2-CG1 4.24Å; F9-V72 HydrophobicContact CZ-CG1 4.06Å; F9-V72 HydrophobicContact CZ-CG2 3.79Å; M70-V72 HydrophobicContact CE-CG2 3.83Å; M70-V72 HydrophobicContact CG-CG2 3.92Å; M70-V72 HydrophobicContact SD-CG2 4.16Å; V72-E84 CarbonylContact O-C 3.47Å; V72-E84 VanDerWaalsContact O-CA 3.22Å; V72-E84 WeakPolarHBondContact O-CA 3.45Å; V72-E84 WeakPolarHBondContact O-CB 3.32Å; V72-A85 PolarHBondContact N-O 3.17Å; V72-A85 PolarHBondContact O-N 3.02Å; V72-M109 HydrophobicContact CG1-CE 4.46Å; V72-L115 HydrophobicContact CG1-CD2 3.67Å
73	M	91.2	Very high	81.9	Confident	23 Å²	23	57.6 Å²	57.6	11%	0.113	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.7	173.9	-65.5	177.1	-174.8	0	0	109.4	C29 A30 Y32 H71 K75 L81 E84	C29-M73 CarbonylContact C-O 3.48Å; C29-M73 WeakPolarHBondContact CA-O 3.42Å; A30-M73 HydrophobicContact CB-CB 4.41Å; A30-M73 PolarHBondContact N-O 3.48Å; A30-M73 PolarHBondContact O-N 2.68Å; Y32-M73 HydrophobicContact CD2-CE 4.1Å; Y32-M73 HydrophobicContact CD2-CG 4.34Å; Y32-M73 HydrophobicContact CD2-SD 4.02Å; Y32-M73 HydrophobicContact CE2-CE 3.84Å; Y32-M73 HydrophobicContact CE2-CG 4.1Å; Y32-M73 HydrophobicContact CE2-SD 3.35Å; Y32-M73 WeakPolarHBondContact CE2-SD 3.45Å; H71-M73 WeakPolarHBondContact CE1-CE 3.29Å; H71-M73 WeakPolarHBondContact NE2-CE 3.29Å; M73-K75 HydrophobicContact CB-CG 4.48Å; M73-L81 HydrophobicContact CB-CD1 3.67Å; M73-L81 HydrophobicContact CG-CD1 3.77Å; M73-L81 HydrophobicContact SD-CD1 4.19Å; M73-E84 HydrophobicContact CG-CB 4.21Å
74	V	87.3	Confident	82.2	Confident	0 Å²	0	58 Å²	58	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	122.9	165.7	176.1	0	0	0	0	108	F12 P27 R82 S83 M109 L115	F12-V74 HydrophobicContact CD1-CG1 3.93Å; F12-V74 HydrophobicContact CD2-CG2 3.98Å; F12-V74 HydrophobicContact CE1-CG1 3.76Å; F12-V74 HydrophobicContact CE2-CB 4.4Å; F12-V74 HydrophobicContact CE2-CG1 4.38Å; F12-V74 HydrophobicContact CE2-CG2 4.11Å; F12-V74 HydrophobicContact CG-CG1 4.31Å; F12-V74 HydrophobicContact CG-CG2 4.31Å; F12-V74 HydrophobicContact CZ-CB 4.36Å; F12-V74 HydrophobicContact CZ-CG1 4Å; P27-V74 HydrophobicContact CB-CG1 3.76Å; V74-R82 PolarHBondContact O-N 2.86Å; V74-S83 PolarHBondContact N-O 3.48Å; V74-S83 PolarHBondContact O-N 3.05Å; V74-M109 HydrophobicContact CG2-CE 3.79Å; V74-L115 HydrophobicContact CG2-CD1 4.43Å
75	K	81.6	Confident	82.7	Confident	26 Å²	26	57.8 Å²	57.8	11%	0.113	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	153.2	180	-63.1	-173.1	-178.1	-178.4	0	110.7	P27 Y28 Y32 M73 V79 E80	P27-K75 CarbonylContact C-O 3.39Å; P27-K75 VanDerWaalsContact CA-O 3.22Å; P27-K75 WeakPolarHBondContact CA-O 3.41Å; Y28-K75 HydrophobicContact CE1-CB 4.08Å; Y28-K75 HydrophobicContact CE2-CB 4.07Å; Y28-K75 HydrophobicContact CE2-CD 4.43Å; Y28-K75 PolarHBondContact N-O 3.27Å; Y28-K75 PolarHBondContact O-N 3.4Å; Y32-K75 PolarHBondContact OH-NZ 2.72Å; M73-K75 HydrophobicContact CB-CG 4.48Å; K75-V79 HydrophobicContact CD-CG1 4.36Å; K75-E80 VanDerWaalsContact CA-O 3.31Å; K75-E80 WeakPolarHBondContact CA-O 3.48Å
76	D	76.5	Confident	83.3	Confident	3 Å²	3	58 Å²	58	2%	0.016	28%	0.278	C	S	.	.			trans	-90.8	177.8	172.5	60	28	0	0	0	112.6	L25 Y28 T78 V79 E80 R82	L25-D76 HydrophobicContact CD2-CB 3.24Å; Y28-D76 WeakPolarHBondContact CE1-O 3.45Å; D76-T78 PolarHBondContact O-N 2.89Å; D76-T78 VanDerWaalsContact O-N 3.14Å; D76-T78 VanDerWaalsContact OD1-C 3.28Å; D76-T78 VanDerWaalsContact OD1-CA 3.28Å; D76-T78 WeakPolarHBondContact OD1-CA 3.48Å; D76-T78 WeakPolarHBondContact OD1-CB 3.43Å; D76-T78 PolarHBondContact OD1-N 3.5Å; D76-T78 PolarHBondContact OD1-OG1 2.85Å; D76-T78 PolarHBondContact OD2-OG1 3.31Å; D76-T78 VanDerWaalsContact OD2-OG1 3.12Å; D76-V79 PolarHBondContact O-N 3.41Å; D76-V79 PolarHBondContact OD1-N 3.25Å; D76-E80 PolarHBondContact N-O 2.89Å; D76-E80 PolarHBondContact OD1-N 2.79Å; D76-R82 HydrophobicContact CB-CG 4.17Å; D76-R82 IonicContact OD2-CZ 2.8Å; D76-R82 IonicContact OD2-NE 3.82Å; D76-R82 PolarHBondContact OD2-NE 2.69Å; D76-R82 IonicContact OD2-NH2 2.57Å; D76-R82 PolarHBondContact OD2-NH2 3.01Å
77	R	66.9	Low	84.2	Confident	191 Å²	191	47.2 Å²	47.2	72%	0.721	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.6	175	-69.2	-174.6	174.2	174.4	0.6	114.1	V79	R77-V79 VanDerWaalsContact C-N 3.31Å
78	T	64.6	Low	84.9	Confident	100 Å²	100	48 Å²	48	61%	0.613	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	0.8	173.7	38.5	0	0	0	0	113.3	D76 E80	D76-T78 PolarHBondContact O-N 2.89Å; D76-T78 VanDerWaalsContact O-N 3.14Å; D76-T78 VanDerWaalsContact OD1-C 3.28Å; D76-T78 VanDerWaalsContact OD1-CA 3.28Å; D76-T78 WeakPolarHBondContact OD1-CA 3.48Å; D76-T78 WeakPolarHBondContact OD1-CB 3.43Å; D76-T78 PolarHBondContact OD1-N 3.5Å; D76-T78 PolarHBondContact OD1-OG1 2.85Å; D76-T78 PolarHBondContact OD2-OG1 3.31Å; D76-T78 VanDerWaalsContact OD2-OG1 3.12Å; T78-E80 PolarHBondContact O-N 2.84Å
79	V	65.9	Low	85.1	Confident	88 Å²	88	47.4 Å²	47.4	53%	0.533	24%	0.241	S	C	.	.			trans	68.3	11.6	-178.7	-163.6	0	0	0	0	112.6	K75 D76 R77	K75-V79 HydrophobicContact CD-CG1 4.36Å; D76-V79 PolarHBondContact O-N 3.41Å; D76-V79 PolarHBondContact OD1-N 3.25Å; R77-V79 VanDerWaalsContact C-N 3.31Å
80	E	73.6	Confident	85	Confident	113 Å²	113	49.4 Å²	49.4	53%	0.528	25%	0.252	S	S	.	.			trans	-74.6	144.3	173.6	-62.4	-169.1	150.7	0	0	109.9	K75 D76 T78 R82	K75-E80 VanDerWaalsContact CA-O 3.31Å; K75-E80 WeakPolarHBondContact CA-O 3.48Å; D76-E80 PolarHBondContact N-O 2.89Å; D76-E80 PolarHBondContact OD1-N 2.79Å; T78-E80 PolarHBondContact O-N 2.84Å; E80-R82 PolarHBondContact O-N 3.26Å; E80-R82 IonicContact OE2-NH2 2.66Å; E80-R82 PolarHBondContact OE2-NH2 3.5Å
81	L	79.6	Confident	84.8	Confident	85 Å²	85	52.6 Å²	52.6	45%	0.445	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	117.7	175.3	-179.8	64.7	0	0	0	108.7	M73 E84	M73-L81 HydrophobicContact CB-CD1 3.67Å; M73-L81 HydrophobicContact CG-CD1 3.77Å; M73-L81 HydrophobicContact SD-CD1 4.19Å; L81-E84 HydrophobicContact CD1-CB 4.29Å; L81-E84 HydrophobicContact CD2-CG 4.38Å
82	R	81.6	Confident	84.7	Confident	98 Å²	98	51.6 Å²	51.6	37%	0.37	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-49.6	174.7	-69.6	-71.8	166.3	-164.5	-14	111	V74 D76 E80 P111	V74-R82 PolarHBondContact O-N 2.86Å; D76-R82 HydrophobicContact CB-CG 4.17Å; D76-R82 IonicContact OD2-CZ 2.8Å; D76-R82 IonicContact OD2-NE 3.82Å; D76-R82 PolarHBondContact OD2-NE 2.69Å; D76-R82 IonicContact OD2-NH2 2.57Å; D76-R82 PolarHBondContact OD2-NH2 3.01Å; E80-R82 PolarHBondContact O-N 3.26Å; E80-R82 IonicContact OE2-NH2 2.66Å; E80-R82 PolarHBondContact OE2-NH2 3.5Å; R82-P111 WeakPolarHBondContact O-CD 3.37Å
83	S	88.3	Confident	84.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	152.6	179.8	-39	0	0	0	0	112.1	V74 K110 Q112	V74-S83 PolarHBondContact N-O 3.48Å; V74-S83 PolarHBondContact O-N 3.05Å; S83-K110 CarbonylContact C-O 3.5Å; S83-K110 WeakPolarHBondContact CA-O 3.2Å; S83-Q112 VanDerWaalsContact CB-O 3.24Å; S83-Q112 WeakPolarHBondContact CB-O 3.44Å; S83-Q112 PolarHBondContact OG-O 3.46Å
84	E	93.7	Very high	84.4	Confident	68 Å²	68	53.9 Å²	53.9	32%	0.318	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	154.2	175.7	59.7	178.7	-166.8	0	0	113.9	H71 V72 M73 L81 M109 K110	H71-E84 IonicContact NE2-OE2 3.7Å; H71-E84 PolarHBondContact NE2-OE2 3.11Å; V72-E84 CarbonylContact O-C 3.47Å; V72-E84 VanDerWaalsContact O-CA 3.22Å; V72-E84 WeakPolarHBondContact O-CA 3.45Å; V72-E84 WeakPolarHBondContact O-CB 3.32Å; M73-E84 HydrophobicContact CG-CB 4.21Å; L81-E84 HydrophobicContact CD1-CB 4.29Å; L81-E84 HydrophobicContact CD2-CG 4.38Å; E84-M109 WeakPolarHBondContact O-CA 3.42Å; E84-K110 PolarHBondContact N-O 3.25Å; E84-K110 PolarHBondContact O-N 2.75Å
85	A	94.2	Very high	84.5	Confident	14 Å²	14	59.6 Å²	59.6	12%	0.116	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	148.8	169.7	0	0	0	0	0	111.2	H71 V72 M109	H71-A85 PolarHBondContact CD2-O 2.97Å; V72-A85 PolarHBondContact N-O 3.17Å; V72-A85 PolarHBondContact O-N 3.02Å; A85-M109 HydrophobicContact CB-CE 4.2Å; A85-M109 HydrophobicContact CB-SD 3.38Å; A85-M109 WeakPolarHBondContact CB-SD 3.28Å
86	T	94.1	Very high	84.8	Confident	88 Å²	88	58.3 Å²	58.3	54%	0.54	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.1	174.4	-64.2	0	0	0	0	110.1	I69 H71	I69-T86 HydrophobicContact CB-CG2 4Å; I69-T86 HydrophobicContact CD1-CG2 3.82Å; I69-T86 HydrophobicContact CG1-CG2 4.38Å; I69-T86 HydrophobicContact CG2-CG2 4.38Å; H71-T86 PolarHBondContact CD2-OG1 2.85Å
87	V	93.4	Very high	85.2	Confident	18 Å²	18	64 Å²	64	11%	0.109	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.2	-177	-173.5	0	0	0	0	109.8	I69 M70 L92 L107	I69-V87 WeakPolarHBondContact CA-O 3.36Å; M70-V87 HydrophobicContact CE-CB 4.15Å; M70-V87 HydrophobicContact CE-CG2 4.24Å; M70-V87 PolarHBondContact N-O 3.26Å; M70-V87 PolarHBondContact O-N 3.22Å; V87-L92 HydrophobicContact CG1-CB 4.16Å; V87-L92 HydrophobicContact CG1-CD2 4.05Å; V87-L107 HydrophobicContact CG2-CD1 3.8Å; V87-L107 HydrophobicContact CG2-CD2 3.78Å; V87-L107 HydrophobicContact CG2-CG 4.46Å
88	A	92.1	Very high	86.1	Confident	39 Å²	39	63.1 Å²	63.1	32%	0.322	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	124	172.4	0	0	0	0	0	110.2	S91 L92	A88-S91 PolarHBondContact O-N 2.96Å; A88-L92 WeakPolarHBondContact O-CB 3.48Å; A88-L92 PolarHBondContact O-N 3.36Å
89	L	90.1	Very high	86.9	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-77	-26.3	-169.2	-69.2	172.1	0	0	0	113.6	L5 I7 M33 A62 R68 M70 L92 A93	L5-L89 HydrophobicContact CD1-CD2 4.15Å; L5-L89 WeakPolarHBondContact CD1-O 3.49Å; I7-L89 HydrophobicContact CD1-CD2 3.8Å; M33-L89 HydrophobicContact CE-CD1 3.51Å; M33-L89 HydrophobicContact SD-CD1 4.41Å; A62-L89 HydrophobicContact CB-CD1 4.2Å; A62-L89 HydrophobicContact CB-CD2 4.26Å; R68-L89 HydrophobicContact CB-CD1 4.48Å; R68-L89 HydrophobicContact CG-CD1 4.06Å; R68-L89 PolarHBondContact O-N 3.16Å; R68-L89 VanDerWaalsContact O-N 3.1Å; M70-L89 HydrophobicContact CB-CD1 4.42Å; M70-L89 HydrophobicContact CB-CD2 3.95Å; M70-L89 HydrophobicContact CB-CG 4.2Å; L89-L92 HydrophobicContact CD2-CD2 4.27Å; L89-A93 WeakPolarHBondContact O-CB 3.38Å; L89-A93 PolarHBondContact O-N 3.12Å
90	D	89.1	Confident	87.6	Confident	59 Å²	59	67.9 Å²	67.9	32%	0.316	35%	0.345	S	S	.	.	H	α-helix	trans	-69.8	-40.8	171.7	54.1	-5.7	0	0	0	112.3	V64 S94	V64-D90 HydrophobicContact CG1-CB 4.28Å; D90-S94 WeakPolarHBondContact O-CB 3.46Å; D90-S94 PolarHBondContact O-N 2.84Å; D90-S94 PolarHBondContact O-OG 3.15Å
91	S	90.8	Very high	87.8	Confident	67 Å²	67	63.4 Å²	63.4	47%	0.469	33%	0.33	S	S	.	.	H	α-helix	trans	-63.3	-47.4	170.3	-177	0	0	0	0	111.3	A88 A93 S94 R95	A88-S91 PolarHBondContact O-N 2.96Å; S91-A93 VanDerWaalsContact C-N 3.34Å; S91-A93 PolarHBondContact O-N 3.45Å; S91-S94 PolarHBondContact O-N 2.91Å; S91-R95 WeakPolarHBondContact O-CG 3.45Å; S91-R95 PolarHBondContact O-N 2.87Å
92	L	91.3	Very high	88.2	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.016	33%	0.326	C	S	.	.	H	α-helix	trans	-59.8	-43.5	176.9	-174.1	61.6	0	0	0	111.8	L5 I7 V87 A88 L89 R95 C96 L103 I105 M117 A119	L5-L92 HydrophobicContact CD1-CB 3.95Å; L5-L92 HydrophobicContact CD1-CD2 3.85Å; L5-L92 HydrophobicContact CD1-CG 3.83Å; I7-L92 HydrophobicContact CD1-CD2 3.86Å; I7-L92 HydrophobicContact CG1-CD2 4.48Å; V87-L92 HydrophobicContact CG1-CB 4.16Å; V87-L92 HydrophobicContact CG1-CD2 4.05Å; A88-L92 WeakPolarHBondContact O-CB 3.48Å; A88-L92 PolarHBondContact O-N 3.36Å; L89-L92 HydrophobicContact CD2-CD2 4.27Å; L92-R95 PolarHBondContact O-N 2.82Å; L92-C96 PolarHBondContact O-N 3.02Å; L92-C96 PolarHBondContact O-SG 3.05Å; L92-L103 HydrophobicContact CD1-CD2 3.64Å; L92-I105 HydrophobicContact CD1-CD1 4.05Å; L92-M117 HydrophobicContact CD1-CE 3.61Å; L92-M117 HydrophobicContact CD2-CE 3.75Å; L92-M117 HydrophobicContact CD2-SD 4.16Å; L92-M117 HydrophobicContact CG-CE 4.37Å; L92-A119 HydrophobicContact CD1-CB 4.3Å; L92-A119 HydrophobicContact CD2-CB 4.17Å; L92-A119 HydrophobicContact CG-CB 4.27Å
93	A	88.3	Confident	88.6	Confident	4 Å²	4	59.4 Å²	59.4	3%	0.033	31%	0.312	C	S	.	.	H	α-helix	trans	-65	-39.4	176.2	0	0	0	0	0	112.7	L5 V64 L89 S91 R95 C96 K97 Y121	L5-A93 HydrophobicContact CD1-CB 4.01Å; L5-A93 HydrophobicContact CD2-CB 4.27Å; L5-A93 HydrophobicContact CG-CB 4.21Å; V64-A93 HydrophobicContact CG1-CB 4.04Å; V64-A93 HydrophobicContact CG2-CB 3.84Å; L89-A93 WeakPolarHBondContact O-CB 3.38Å; L89-A93 PolarHBondContact O-N 3.12Å; S91-A93 VanDerWaalsContact C-N 3.34Å; S91-A93 PolarHBondContact O-N 3.45Å; A93-R95 VanDerWaalsContact C-N 3.28Å; A93-R95 PolarHBondContact O-N 3.12Å; A93-C96 PolarHBondContact O-N 3.17Å; A93-K97 WeakPolarHBondContact O-CG 3.34Å; A93-K97 PolarHBondContact O-N 2.87Å; A93-Y121 HydrophobicContact CB-CD2 3.83Å; A93-Y121 HydrophobicContact CB-CE2 4.02Å
94	S	89.1	Confident	88.8	Confident	68 Å²	68	64.6 Å²	64.6	48%	0.476	34%	0.336	S	S	.	.	H	α-helix	trans	-65.2	-32.9	176.4	-58.9	0	0	0	0	112.2	D90 S91	D90-S94 WeakPolarHBondContact O-CB 3.46Å; D90-S94 PolarHBondContact O-N 2.84Å; D90-S94 PolarHBondContact O-OG 3.15Å; S91-S94 PolarHBondContact O-N 2.91Å
95	R	90.1	Very high	88.7	Confident	119 Å²	119	62.4 Å²	62.4	45%	0.449	33%	0.326	S	S	.	.	H	α-helix	trans	-70.8	-48.4	171.1	-67.8	175.8	67.8	-176.1	3.7	111.6	S91 L92 A93 K97 K98 E99 L103	S91-R95 WeakPolarHBondContact O-CG 3.45Å; S91-R95 PolarHBondContact O-N 2.87Å; L92-R95 PolarHBondContact O-N 2.82Å; A93-R95 VanDerWaalsContact C-N 3.28Å; A93-R95 PolarHBondContact O-N 3.12Å; R95-K97 PolarHBondContact O-N 3.37Å; R95-K98 PolarHBondContact O-N 3.03Å; R95-E99 PolarHBondContact O-N 3.19Å; R95-L103 HydrophobicContact CB-CD2 3.72Å
96	C	87.8	Confident	88.6	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-55.4	-39.1	176.8	-63	0	0	0	0	112.4	L5 L92 A93 K98 E99 G101 L103	L5-C96 HydrophobicContact CD2-CB 4.17Å; L92-C96 PolarHBondContact O-N 3.02Å; L92-C96 PolarHBondContact O-SG 3.05Å; A93-C96 PolarHBondContact O-N 3.17Å; C96-K98 VanDerWaalsContact C-N 3.32Å; C96-K98 PolarHBondContact O-N 3.36Å; C96-E99 CarbonylContact O-C 3.6Å; C96-E99 PolarHBondContact O-N 2.64Å; C96-G101 WeakPolarHBondContact O-CA 3.07Å; C96-G101 PolarHBondContact O-N 3.37Å; C96-L103 HydrophobicContact CB-CB 4.41Å; C96-L103 VanDerWaalsContact SG-CB 3.58Å
97	K	84.8	Confident	88.5	Confident	121 Å²	121	62.8 Å²	62.8	53%	0.526	32%	0.316	S	S	.	.	H	α-helix	trans	-62.6	-32.7	175.9	-77.2	180	178.3	-169.3	0	114.4	A93 R95 Y121	A93-K97 WeakPolarHBondContact O-CG 3.34Å; A93-K97 PolarHBondContact O-N 2.87Å; R95-K97 PolarHBondContact O-N 3.37Å; K97-Y121 HydrophobicContact CD-CE1 4.34Å; K97-Y121 WeakPolarHBondContact CE-OH 3.5Å; K97-Y121 HydrophobicContact CG-CD1 3.96Å; K97-Y121 HydrophobicContact CG-CE1 4.09Å; K97-Y121 HydrophobicContact CG-CG 4.2Å; K97-Y121 PolarHBondContact NZ-OH 3.25Å; K97-Y121 VanDerWaalsContact NZ-OH 3.08Å
98	K	85.3	Confident	88.5	Confident	174 Å²	174	68.5 Å²	68.5	76%	0.757	34%	0.342	S	S	*	.	H	α-helix	trans	-74.1	-31.6	177.5	-69.2	-179.8	178	-171	0	111.6	R95 C96 N100	R95-K98 PolarHBondContact O-N 3.03Å; C96-K98 VanDerWaalsContact C-N 3.32Å; C96-K98 PolarHBondContact O-N 3.36Å; K98-N100 PolarHBondContact O-N 2.92Å
99	E	82.6	Confident	88.4	Confident	118 Å²	118	67 Å²	67	55%	0.551	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	46.4	179.8	-55	-60.3	162.7	0	0	112.3	R95 C96 G101 K102 L103	R95-E99 PolarHBondContact O-N 3.19Å; C96-E99 CarbonylContact O-C 3.6Å; C96-E99 PolarHBondContact O-N 2.64Å; E99-G101 PolarHBondContact O-N 2.79Å; E99-K102 WeakPolarHBondContact CB-O 3.24Å; E99-K102 PolarHBondContact O-N 3.17Å; E99-L103 HydrophobicContact CG-CD1 3.87Å
100	N	79.6	Confident	88.3	Confident	169 Å²	169	74.6 Å²	74.6	90%	0.904	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	27	179.2	-72.6	-16.3	0	0	0	115.9	K98	K98-N100 PolarHBondContact O-N 2.92Å
101	G	77.8	Confident	88.1	Confident	20 Å²	20	77.3 Å²	77.3	21%	0.206	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	-3	178.1	0	0	0	0	0	115.8	C96 E99 R120 Y121	C96-G101 WeakPolarHBondContact O-CA 3.07Å; C96-G101 PolarHBondContact O-N 3.37Å; E99-G101 PolarHBondContact O-N 2.79Å; G101-R120 CarbonylContact O-C 3.58Å; G101-R120 WeakPolarHBondContact O-CA 3.48Å; G101-Y121 PolarHBondContact O-N 2.67Å
102	K	87.4	Confident	87.7	Confident	84 Å²	84	79 Å²	79	37%	0.365	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.4	171.3	-178	-174.8	-178.2	-165.2	0	110.1	E99 E104 E118 R120	E99-K102 WeakPolarHBondContact CB-O 3.24Å; E99-K102 PolarHBondContact O-N 3.17Å; K102-E104 IonicContact NZ-OE1 3.23Å; K102-E118 WeakPolarHBondContact CE-OE2 3.35Å; K102-E118 IonicContact NZ-OE2 2.9Å; K102-E118 PolarHBondContact NZ-OE2 3Å; K102-R120 HydrophobicContact CB-CG 4.2Å; K102-R120 HydrophobicContact CG-CG 4.01Å
103	L	89.9	Confident	87.5	Confident	14 Å²	14	79.7 Å²	79.7	7%	0.073	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	140.2	174.1	-179.1	69.2	0	0	0	109.9	L92 R95 C96 E99 I105 E118 A119	L92-L103 HydrophobicContact CD1-CD2 3.64Å; R95-L103 HydrophobicContact CB-CD2 3.72Å; C96-L103 HydrophobicContact CB-CB 4.41Å; C96-L103 VanDerWaalsContact SG-CB 3.58Å; E99-L103 HydrophobicContact CG-CD1 3.87Å; L103-I105 HydrophobicContact CD1-CG2 3.72Å; L103-I105 HydrophobicContact CD2-CD1 4.16Å; L103-I105 HydrophobicContact CD2-CG1 4.46Å; L103-I105 HydrophobicContact CD2-CG2 4.19Å; L103-I105 HydrophobicContact CG-CG2 3.81Å; L103-E118 CarbonylContact O-C 3.59Å; L103-E118 WeakPolarHBondContact O-CA 3.13Å; L103-A119 PolarHBondContact N-O 3.36Å; L103-A119 PolarHBondContact O-N 2.77Å
104	E	93	Very high	87.6	Confident	110 Å²	110	84.4 Å²	84.4	51%	0.514	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	120.1	173.1	-175.7	175.3	-68.7	0	0	107.7	K102 L116 M117 E118	K102-E104 IonicContact NZ-OE1 3.23Å; E104-L116 HydrophobicContact CG-CD1 3.99Å; E104-M117 WeakPolarHBondContact CA-O 3.43Å; E104-E118 HydrophobicContact CB-CG 4.33Å; E104-E118 HydrophobicContact CG-CG 3.99Å
105	I	92.3	Very high	87.7	Confident	21 Å²	21	81.1 Å²	81.1	11%	0.108	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	145.7	-173.3	56	170.3	0	0	0	112.4	L92 L103 L107 M117	L92-I105 HydrophobicContact CD1-CD1 4.05Å; L103-I105 HydrophobicContact CD1-CG2 3.72Å; L103-I105 HydrophobicContact CD2-CD1 4.16Å; L103-I105 HydrophobicContact CD2-CG1 4.46Å; L103-I105 HydrophobicContact CD2-CG2 4.19Å; L103-I105 HydrophobicContact CG-CG2 3.81Å; I105-L107 HydrophobicContact CD1-CD2 3.98Å; I105-M117 HydrophobicContact CD1-CE 3.61Å; I105-M117 HydrophobicContact CG1-CE 3.73Å; I105-M117 PolarHBondContact N-O 2.63Å; I105-M117 PolarHBondContact O-N 2.66Å
106	W	92.1	Very high	87.7	Confident	91 Å²	91	76.7 Å²	76.7	35%	0.345	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	129.6	162	-68.9	98	0	0	0	110	N11 E13 R114 L116	N11-W106 HydrophobicContact CB-CH2 4.22Å; E13-W106 VanDerWaalsContact CD-CH2 3.45Å; E13-W106 HydrophobicContact CG-CH2 4.06Å; E13-W106 HydrophobicContact CG-CZ3 4.23Å; E13-W106 VanDerWaalsContact OE1-CH2 3.28Å; E13-W106 WeakPolarHBondContact OE1-CH2 3.18Å; W106-R114 HydrophobicContact CD2-CG 4.31Å; W106-R114 HydrophobicContact CE3-CB 3.91Å; W106-R114 HydrophobicContact CE3-CG 3.54Å; W106-R114 HydrophobicContact CZ3-CB 4.5Å; W106-R114 HydrophobicContact CZ3-CG 3.79Å; W106-L116 HydrophobicContact CD2-CB 4.14Å; W106-L116 HydrophobicContact CD2-CD1 4.05Å; W106-L116 HydrophobicContact CE3-CB 3.83Å; W106-L116 HydrophobicContact CG-CD1 4.31Å; W106-L116 HydrophobicContact CH2-CB 3.79Å; W106-L116 HydrophobicContact CH2-CD2 4.38Å; W106-L116 HydrophobicContact CZ2-CB 4.06Å; W106-L116 HydrophobicContact CZ2-CD1 4.3Å; W106-L116 HydrophobicContact CZ2-CD2 4.06Å; W106-L116 HydrophobicContact CZ2-CG 4.37Å; W106-L116 HydrophobicContact CZ3-CB 3.66Å
107	L	92.3	Very high	88	Confident	19 Å²	19	76.7 Å²	76.7	10%	0.099	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.6	168.8	-65.4	178.8	0	0	0	108.9	V87 I105 M109 R114 L115 M117	V87-L107 HydrophobicContact CG2-CD1 3.8Å; V87-L107 HydrophobicContact CG2-CD2 3.78Å; V87-L107 HydrophobicContact CG2-CG 4.46Å; I105-L107 HydrophobicContact CD1-CD2 3.98Å; L107-M109 HydrophobicContact CB-SD 4.34Å; L107-M109 PolarHBondContact O-N 3.24Å; L107-R114 CarbonylContact O-C 3.56Å; L107-R114 VanDerWaalsContact O-CA 3.3Å; L107-R114 WeakPolarHBondContact O-CA 3.49Å; L107-L115 HydrophobicContact CB-CB 4.33Å; L107-L115 HydrophobicContact CD1-CD2 4.39Å; L107-L115 PolarHBondContact N-O 3.46Å; L107-L115 PolarHBondContact O-N 3.19Å; L107-M117 HydrophobicContact CD1-CB 4.05Å; L107-M117 HydrophobicContact CD1-CE 3.96Å; L107-M117 HydrophobicContact CD1-CG 4.49Å; L107-M117 HydrophobicContact CD1-SD 3.77Å; L107-M117 HydrophobicContact CD2-CE 3.91Å; L107-M117 HydrophobicContact CG-CB 4.2Å; L107-M117 HydrophobicContact CG-CE 4.1Å; L107-M117 HydrophobicContact CG-SD 4.49Å
108	E	92.9	Very high	88.4	Confident	138 Å²	138	73.6 Å²	73.6	65%	0.645	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	125.3	171.9	-62.3	-54.6	140.6	0	0	110.3
109	M	90.5	Very high	88.8	Confident	7 Å²	7	65.3 Å²	65.3	3%	0.034	32%	0.321	C	S	.	.			trans	-108.3	143	-174.9	-48.1	-73.2	-72.1	0	0	110.3	F12 V72 V74 E84 A85 L107 Q112 G113 L115	F12-M109 HydrophobicContact CE2-CG 4.12Å; V72-M109 HydrophobicContact CG1-CE 4.46Å; V74-M109 HydrophobicContact CG2-CE 3.79Å; E84-M109 WeakPolarHBondContact O-CA 3.42Å; A85-M109 HydrophobicContact CB-CE 4.2Å; A85-M109 HydrophobicContact CB-SD 3.38Å; A85-M109 WeakPolarHBondContact CB-SD 3.28Å; L107-M109 HydrophobicContact CB-SD 4.34Å; L107-M109 PolarHBondContact O-N 3.24Å; M109-Q112 CarbonylContact O-C 3.45Å; M109-Q112 PolarHBondContact O-N 3.26Å; M109-G113 WeakPolarHBondContact CA-O 3.2Å; M109-G113 VanDerWaalsContact CB-O 3.24Å; M109-G113 WeakPolarHBondContact CB-O 3.43Å; M109-G113 PolarHBondContact N-O 2.88Å; M109-L115 HydrophobicContact CE-CB 4.49Å; M109-L115 HydrophobicContact CE-CD2 4.19Å; M109-L115 HydrophobicContact CG-CB 3.98Å; M109-L115 HydrophobicContact SD-CB 3.72Å; M109-L115 HydrophobicContact SD-CD2 4.08Å
110	K	88.3	Confident	89.1	Confident	161 Å²	161	65.1 Å²	65.1	70%	0.7	32%	0.315	S	S	*	.	B	Isolated β-bridge	trans	-106	140.8	177.6	-65.2	-173.2	178.3	-174.7	0	111	S83 E84	S83-K110 CarbonylContact C-O 3.5Å; S83-K110 WeakPolarHBondContact CA-O 3.2Å; E84-K110 PolarHBondContact N-O 3.25Å; E84-K110 PolarHBondContact O-N 2.75Å
111	P	84	Confident	89.6	Confident	115 Å²	115	58.8 Å²	58.8	75%	0.747	28%	0.278	S	S	*	.	S	Bend	cis	-76.7	-17.9	2.1	31.1	-36.6	0	0	0	115	R82	R82-P111 WeakPolarHBondContact O-CD 3.37Å
112	Q	82.8	Confident	89.8	Confident	104 Å²	104	61.9 Å²	61.9	49%	0.486	28%	0.284	S	S	.	.	S	Bend	trans	-150.8	156.6	-175	66.1	-170.6	39.4	0	0	113.2	I14 S83 M109	I14-Q112 HydrophobicContact CG2-CG 4.32Å; S83-Q112 VanDerWaalsContact CB-O 3.24Å; S83-Q112 WeakPolarHBondContact CB-O 3.44Å; S83-Q112 PolarHBondContact OG-O 3.46Å; M109-Q112 CarbonylContact O-C 3.45Å; M109-Q112 PolarHBondContact O-N 3.26Å
113	G	86.7	Confident	89.4	Confident	16 Å²	16	62.4 Å²	62.4	17%	0.165	29%	0.291	C	S	.	.			trans	88.3	170.1	172.3	0	0	0	0	0	115.1	E13 M109	E13-G113 CarbonylContact O-C 3.19Å; E13-G113 WeakPolarHBondContact O-CA 3.38Å; M109-G113 WeakPolarHBondContact CA-O 3.2Å; M109-G113 VanDerWaalsContact CB-O 3.24Å; M109-G113 WeakPolarHBondContact CB-O 3.43Å; M109-G113 PolarHBondContact N-O 2.88Å
114	R	90.2	Very high	87.8	Confident	103 Å²	103	64.3 Å²	64.3	39%	0.389	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.4	-175.9	61.1	176.3	-173.3	-169.1	1.9	112	F12 E13 W106 L107	F12-R114 WeakPolarHBondContact CA-O 3.42Å; F12-R114 VanDerWaalsContact CD2-O 3.28Å; F12-R114 WeakPolarHBondContact CD2-O 3.4Å; E13-R114 HydrophobicContact CB-CG 4.09Å; E13-R114 PolarHBondContact N-O 3Å; E13-R114 PolarHBondContact O-N 3.32Å; E13-R114 IonicContact OE2-CZ 3.35Å; E13-R114 IonicContact OE2-NE 3.14Å; E13-R114 PolarHBondContact OE2-NE 3.15Å; E13-R114 IonicContact OE2-NH2 2.68Å; E13-R114 PolarHBondContact OE2-NH2 2.87Å; W106-R114 HydrophobicContact CD2-CG 4.31Å; W106-R114 HydrophobicContact CE3-CB 3.91Å; W106-R114 HydrophobicContact CE3-CG 3.54Å; W106-R114 HydrophobicContact CZ3-CB 4.5Å; W106-R114 HydrophobicContact CZ3-CG 3.79Å; L107-R114 CarbonylContact O-C 3.56Å; L107-R114 VanDerWaalsContact O-CA 3.3Å; L107-R114 WeakPolarHBondContact O-CA 3.49Å
115	L	90.9	Very high	85.4	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.1	-175	178.2	73.6	0	0	0	110.2	F9 F12 W56 V72 V74 L107 M109 M117	F9-L115 HydrophobicContact CB-CD1 4.26Å; F9-L115 HydrophobicContact CD1-CD2 3.79Å; F9-L115 HydrophobicContact CD1-CG 4.12Å; F9-L115 HydrophobicContact CE1-CD2 3.94Å; F9-L115 HydrophobicContact CG-CD1 4.48Å; F9-L115 HydrophobicContact CG-CD2 4.25Å; F12-L115 HydrophobicContact CB-CD1 3.97Å; F12-L115 HydrophobicContact CD2-CB 4.25Å; F12-L115 HydrophobicContact CD2-CD1 4.36Å; W56-L115 HydrophobicContact CH2-CD1 3.61Å; W56-L115 HydrophobicContact CZ3-CD1 3.5Å; V72-L115 HydrophobicContact CG1-CD2 3.67Å; V74-L115 HydrophobicContact CG2-CD1 4.43Å; L107-L115 HydrophobicContact CB-CB 4.33Å; L107-L115 HydrophobicContact CD1-CD2 4.39Å; L107-L115 PolarHBondContact N-O 3.46Å; L107-L115 PolarHBondContact O-N 3.19Å; M109-L115 HydrophobicContact CE-CB 4.49Å; M109-L115 HydrophobicContact CE-CD2 4.19Å; M109-L115 HydrophobicContact CG-CB 3.98Å; M109-L115 HydrophobicContact SD-CB 3.72Å; M109-L115 HydrophobicContact SD-CD2 4.08Å; L115-M117 PolarHBondContact O-N 3.3Å
116	L	91.4	Very high	82.8	Confident	26 Å²	26	71.6 Å²	71.6	14%	0.136	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	121.4	176.5	-174.4	55.2	0	0	0	110	F9 S10 N11 E104 W106	F9-L116 WeakPolarHBondContact CA-O 3.46Å; S10-L116 PolarHBondContact N-O 3.31Å; S10-L116 WeakPolarHBondContact OG-CD2 3.37Å; S10-L116 WeakPolarHBondContact OG-CG 3.43Å; N11-L116 HydrophobicContact CB-CB 4.16Å; N11-L116 PolarHBondContact O-N 3.49Å; E104-L116 HydrophobicContact CG-CD1 3.99Å; W106-L116 HydrophobicContact CD2-CB 4.14Å; W106-L116 HydrophobicContact CD2-CD1 4.05Å; W106-L116 HydrophobicContact CE3-CB 3.83Å; W106-L116 HydrophobicContact CG-CD1 4.31Å; W106-L116 HydrophobicContact CH2-CB 3.79Å; W106-L116 HydrophobicContact CH2-CD2 4.38Å; W106-L116 HydrophobicContact CZ2-CB 4.06Å; W106-L116 HydrophobicContact CZ2-CD1 4.3Å; W106-L116 HydrophobicContact CZ2-CD2 4.06Å; W106-L116 HydrophobicContact CZ2-CG 4.37Å; W106-L116 HydrophobicContact CZ3-CB 3.66Å
117	M	94	Very high	80.1	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.4	-179.1	-178.6	-176.4	64.2	0	0	111.2	I7 G8 F9 M70 L92 E104 I105 L107 L115	I7-M117 HydrophobicContact CG2-CG 3.68Å; I7-M117 HydrophobicContact CG2-SD 3.6Å; G8-M117 WeakPolarHBondContact O-CA 3.47Å; F9-M117 HydrophobicContact CD1-CB 3.92Å; F9-M117 HydrophobicContact CD1-CG 3.9Å; F9-M117 HydrophobicContact CE1-CB 4.05Å; F9-M117 HydrophobicContact CE1-CG 3.7Å; F9-M117 HydrophobicContact CE1-SD 3.88Å; M70-M117 HydrophobicContact CE-SD 3.73Å; L92-M117 HydrophobicContact CD1-CE 3.61Å; L92-M117 HydrophobicContact CD2-CE 3.75Å; L92-M117 HydrophobicContact CD2-SD 4.16Å; L92-M117 HydrophobicContact CG-CE 4.37Å; E104-M117 WeakPolarHBondContact CA-O 3.43Å; I105-M117 HydrophobicContact CD1-CE 3.61Å; I105-M117 HydrophobicContact CG1-CE 3.73Å; I105-M117 PolarHBondContact N-O 2.63Å; I105-M117 PolarHBondContact O-N 2.66Å; L107-M117 HydrophobicContact CD1-CB 4.05Å; L107-M117 HydrophobicContact CD1-CE 3.96Å; L107-M117 HydrophobicContact CD1-CG 4.49Å; L107-M117 HydrophobicContact CD1-SD 3.77Å; L107-M117 HydrophobicContact CD2-CE 3.91Å; L107-M117 HydrophobicContact CG-CB 4.2Å; L107-M117 HydrophobicContact CG-CE 4.1Å; L107-M117 HydrophobicContact CG-SD 4.49Å; L115-M117 PolarHBondContact O-N 3.3Å
118	E	93.3	Very high	77.2	Confident	55 Å²	55	79 Å²	79	26%	0.257	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	141.7	163.8	-74.5	-173.6	-108.4	0	0	110.2	I7 G8 K102 L103 E104	I7-E118 CarbonylContact C-O 3.45Å; I7-E118 VanDerWaalsContact CA-O 3.29Å; I7-E118 WeakPolarHBondContact CA-O 3.37Å; G8-E118 PolarHBondContact N-O 2.79Å; G8-E118 PolarHBondContact O-N 3.47Å; K102-E118 WeakPolarHBondContact CE-OE2 3.35Å; K102-E118 IonicContact NZ-OE2 2.9Å; K102-E118 PolarHBondContact NZ-OE2 3Å; L103-E118 CarbonylContact O-C 3.59Å; L103-E118 WeakPolarHBondContact O-CA 3.13Å; E104-E118 HydrophobicContact CB-CG 4.33Å; E104-E118 HydrophobicContact CG-CG 3.99Å
119	A	92.1	Very high	74.4	Confident	1 Å²	1	79.9 Å²	79.9	1%	0.008	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	138	175	0	0	0	0	0	111.1	R6 I7 L92 L103	R6-A119 CarbonylContact O-C 3.37Å; R6-A119 VanDerWaalsContact O-CA 3.27Å; R6-A119 WeakPolarHBondContact O-CA 3.41Å; I7-A119 HydrophobicContact CG1-CB 4.35Å; L92-A119 HydrophobicContact CD1-CB 4.3Å; L92-A119 HydrophobicContact CD2-CB 4.17Å; L92-A119 HydrophobicContact CG-CB 4.27Å; L103-A119 PolarHBondContact N-O 3.36Å; L103-A119 PolarHBondContact O-N 2.77Å
120	R	90.8	Very high	71.6	Confident	113 Å²	113	82.7 Å²	82.7	43%	0.426	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	136.7	174.3	-62.2	-175.2	-162.6	-172.9	5.9	111.6	L5 R6 G101 K102 Y122	L5-R120 CarbonylContact C-O 3.59Å; L5-R120 VanDerWaalsContact CA-O 3.25Å; L5-R120 WeakPolarHBondContact CA-O 3.36Å; R6-R120 HydrophobicContact CB-CB 4.49Å; R6-R120 PolarHBondContact N-O 2.8Å; R6-R120 PolarHBondContact O-N 2.81Å; G101-R120 CarbonylContact O-C 3.58Å; G101-R120 WeakPolarHBondContact O-CA 3.48Å; K102-R120 HydrophobicContact CB-CG 4.2Å; K102-R120 HydrophobicContact CG-CG 4.01Å; R120-Y122 HydrophobicContact CB-CE2 3.73Å
121	Y	89.9	Confident	68.8	Low	36 Å²	36	85 Å²	85	14%	0.141	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.2	-174.4	177.9	-95.4	0	0	0	113	P3 L5 A93 K97 G101 L123	P3-Y121 HydrophobicContact CB-CE2 3.69Å; P3-Y121 VanDerWaalsContact CB-OH 3.3Å; P3-Y121 WeakPolarHBondContact CB-OH 3.39Å; L5-Y121 HydrophobicContact CD2-CD2 4.23Å; A93-Y121 HydrophobicContact CB-CD2 3.83Å; A93-Y121 HydrophobicContact CB-CE2 4.02Å; K97-Y121 HydrophobicContact CD-CE1 4.34Å; K97-Y121 WeakPolarHBondContact CE-OH 3.5Å; K97-Y121 HydrophobicContact CG-CD1 3.96Å; K97-Y121 HydrophobicContact CG-CE1 4.09Å; K97-Y121 HydrophobicContact CG-CG 4.2Å; K97-Y121 PolarHBondContact NZ-OH 3.25Å; K97-Y121 VanDerWaalsContact NZ-OH 3.08Å; G101-Y121 PolarHBondContact O-N 2.67Å; Y121-L123 HydrophobicContact CE1-CD1 4.24Å; Y121-L123 HydrophobicContact CE1-CG 3.92Å; Y121-L123 WeakPolarHBondContact OH-CD2 3.4Å
122	Y	82.3	Confident	66.3	Low	85 Å²	85	84.7 Å²	84.7	33%	0.333	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	158.2	-179.7	-63	-85.8	0	0	0	112.3	P3 F4 R6 R120	P3-Y122 WeakPolarHBondContact CA-O 3.22Å; F4-Y122 HydrophobicContact CD2-CD2 4.2Å; F4-Y122 VanDerWaalsContact CE1-CB 3.46Å; F4-Y122 HydrophobicContact CE1-CG 4.3Å; F4-Y122 AromaticContact CE2-CD2 3.64Å; F4-Y122 HydrophobicContact CE2-CD2 3.64Å; F4-Y122 HydrophobicContact CE2-CE2 4.48Å; F4-Y122 AromaticContact CE2-CG 3.92Å; F4-Y122 HydrophobicContact CE2-CG 3.92Å; F4-Y122 VanDerWaalsContact CZ-CB 3.42Å; F4-Y122 AromaticContact CZ-CD2 3.97Å; F4-Y122 HydrophobicContact CZ-CD2 3.97Å; F4-Y122 AromaticContact CZ-CG 3.75Å; F4-Y122 HydrophobicContact CZ-CG 3.75Å; F4-Y122 PolarHBondContact N-O 3.26Å; F4-Y122 PolarHBondContact O-N 3.45Å; R6-Y122 HydrophobicContact CB-CD2 4.31Å; R6-Y122 HydrophobicContact CB-CE2 3.76Å; R120-Y122 HydrophobicContact CB-CE2 3.73Å
123	L	77.8	Confident	63.6	Low	96 Å²	96	83.3 Å²	83.3	50%	0.503	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	122.3	173.8	-78.2	161.2	0	0	0	109	M1 P3 Y121 K125	M1-L123 HydrophobicContact CB-CD2 4.21Å; P3-L123 HydrophobicContact CB-CD2 4.3Å; Y121-L123 HydrophobicContact CE1-CD1 4.24Å; Y121-L123 HydrophobicContact CE1-CG 3.92Å; Y121-L123 WeakPolarHBondContact OH-CD2 3.4Å; L123-K125 PolarHBondContact O-N 3.07Å
124	E	55.7	Low	60.8	Low	53 Å²	53	87.4 Å²	87.4	25%	0.248	51%	0.512	C	S	.	.			trans	-68.9	117.8	172.1	-70	-174.7	137	0	0	111.1	M1 S2 F4	M1-E124 WeakPolarHBondContact CA-O 3.36Å; M1-E124 WeakPolarHBondContact CB-O 3.47Å; M1-E124 WeakPolarHBondContact CG-O 3.25Å; S2-E124 WeakPolarHBondContact CB-OE2 3.24Å; S2-E124 PolarHBondContact O-N 2.95Å; S2-E124 PolarHBondContact OG-OE2 3.23Å; F4-E124 HydrophobicContact CD1-CG 4.09Å; F4-E124 HydrophobicContact CE1-CG 4.05Å
125	K	44.5	Very low	57.8	Low	195 Å²	195	89.9 Å²	89.9	85%	0.848	53%	0.533	S	S	*	.			trans	-69.2	141.7	163.2	-70	-178	178.2	178.2	0	109	L123	L123-K125 PolarHBondContact O-N 3.07Å
126	S	36	Very low	55.3	Low	89 Å²	89	95 Å²	95	62%	0.622	57%	0.566	S	S	*	*			trans	-110.5	127.6	177	52.4	0	0	0	0	110.3
127	D	35.7	Very low	52.6	Low	171 Å²	171	101.7 Å²	101.7	91%	0.914	60%	0.602	S	S	*	*			trans	-69.5	132.8	172.7	-62.2	-53.6	0	0	0	111.2
128	A	30.8	Very low	49.6	Very low	95 Å²	95	106.9 Å²	106.9	79%	0.785	64%	0.638	S	S	*	*			trans	-144.1	138.5	169.3	0	0	0	0	0	109.3
129	V	34.2	Very low	46.6	Very low	156 Å²	156	113.2 Å²	113.2	95%	0.945	67%	0.668	S	S	*	*			trans	-90.1	119.5	-168.5	175.1	0	0	0	0	111.9
130	G	33.1	Very low	43.8	Very low	67 Å²	67	125.7 Å²	125.7	69%	0.691	71%	0.714	S	S	*	*			trans	75.4	111.1	137.8	0	0	0	0	0	120.6
131	Q	28.4	Very low	41.1	Very low	208 Å²	208	123.3 Å²	123.3	97%	0.972	73%	0.726	S	S	*	*				-160	164.4	122.6	-108.7	174.9	10.5	0	0	110.7
132	A	32.7	Very low	38.4	Very low	109 Å²	109	133 Å²	133	90%	0.901	76%	0.762	S	S	*	*			trans	-105.7	158	-154.2	0	0	0	0	0	115.9
133	G	25.8	Very low	36.1	Very low	75 Å²	75	137.1 Å²	137.1	77%	0.773	79%	0.79	S	S	*	*			trans	155.8	110	160.1	0	0	0	0	0	114.3
134	A	27.3	Very low	34	Very low	103 Å²	103	136.2 Å²	136.2	85%	0.851	80%	0.804	S	S	*	*			trans	40.7	141.9	160.9	0	0	0	0	0	120.1
135	D	27.8	Very low	32.9	Very low	155 Å²	155	139.2 Å²	139.2	83%	0.829	82%	0.821	S	S	*	*			cis	-152.7	154.6	6	-149.6	16.4	0	0	0	107.7
136	P	38.8	Very low	32.8	Very low	108 Å²	108	135.8 Å²	135.8	70%	0.701	81%	0.806	S	S	*	*			trans	-107.6	94.4	-166.3	37.6	-28.5	0	0	0	114.1
137	D	33.5	Very low	33.3	Very low	165 Å²	165	134.3 Å²	134.3	88%	0.882	79%	0.794	S	S	*	*			trans	-168.6	89.3	149.1	-107.2	-23.1	0	0	0	113.3
138	S	31.3	Very low	34.3	Very low	110 Å²	110	127 Å²	127	77%	0.769	76%	0.755	S	S	*	*	S	Bend	trans	171.7	152.7	144.5	46.6	0	0	0	0	110.4
139	E	30.5	Very low	34.7	Very low	188 Å²	188	127.9 Å²	127.9	88%	0.879	74%	0.742	S	S	*	*			trans	62.3	47.2	166.6	-50.7	-159.2	156.6	0	0	118.4
140	R	32.9	Very low	35.3	Very low	262 Å²	262	128.4 Å²	128.4	99%	0.989	73%	0.734	S	S	*	*			trans	-103.3	74.2	149.6	-75.9	-167.4	-177.9	-171.1	3.1	111.6
141	G	35.1	Very low	36.2	Very low	64 Å²	64	127.7 Å²	127.7	66%	0.66	71%	0.711	S	S	*	*			trans	-166.9	124.5	170.8	0	0	0	0	0	111.4
142	R	31.8	Very low	37.6	Very low	238 Å²	238	120.7 Å²	120.7	90%	0.898	68%	0.675	S	S	*	*	S	Bend	trans	74.1	87.9	-175.8	-52.7	172.4	179.2	167.1	-0.5	115.2
143	D	35	Very low	38.5	Very low	172 Å²	172	118.2 Å²	118.2	92%	0.92	66%	0.66	S	S	*	*	S	Bend		173.5	128.8	106.5	-87.4	-10	0	0	0	110.7
144	G	32.9	Very low	40.1	Very low	78 Å²	78	116.8 Å²	116.8	80%	0.804	64%	0.642	S	S	*	*			trans	132.1	29.2	-176.9	0	0	0	0	0	115.8
145	L	34	Very low	41.7	Very low	115 Å²	115	114 Å²	114	60%	0.602	61%	0.612	S	S	*	*			trans	-101.8	110.8	176.4	-167.9	65.6	0	0	0	109.8	T147	L145-T147 HydrophobicContact CB-CG2 4.16Å; L145-T147 HydrophobicContact CD2-CG2 3.58Å; L145-T147 HydrophobicContact CG-CG2 3.72Å; L145-T147 PolarHBondContact O-N 2.69Å
146	F	41.2	Very low	43.1	Very low	124 Å²	124	110.4 Å²	110.4	54%	0.544	59%	0.589	S	S	.	*			trans	-70.7	77.3	165.5	-73.5	-80.6	0	0	0	108.7
147	T	47.7	Very low	43.9	Very low	58 Å²	58	110.4 Å²	110.4	36%	0.356	58%	0.58	S	S	.	*			trans	-63.7	154.4	178.6	49.8	0	0	0	0	111.3	L145 H149	L145-T147 HydrophobicContact CB-CG2 4.16Å; L145-T147 HydrophobicContact CD2-CG2 3.58Å; L145-T147 HydrophobicContact CG-CG2 3.72Å; L145-T147 PolarHBondContact O-N 2.69Å; T147-H149 PolarHBondContact O-N 3.33Å; T147-H149 PolarHBondContact OG1-CD2 3.41Å
148	L	54.8	Low	45	Very low	18 Å²	18	105.4 Å²	105.4	9%	0.094	56%	0.561	C	S	.	*	T	Hydrogen-bonded Turn	trans	-61.3	1.2	-176.9	-63.4	163.4	0	0	0	114.9	M475 I478 E579	L148-M475 HydrophobicContact CB-CE 4.17Å; L148-M475 HydrophobicContact CB-SD 4.23Å; L148-I478 HydrophobicContact CD1-CD1 4.16Å; L148-I478 HydrophobicContact CD1-CG1 4.26Å; L148-I478 HydrophobicContact CD1-CG2 3.55Å; L148-E579 HydrophobicContact CD2-CG 4.26Å
149	H	40	Very low	46.5	Very low	112 Å²	112	106.9 Å²	106.9	52%	0.519	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.7	1.2	-170.9	-53.6	-62.2	0	0	0	115.5	T147	T147-H149 PolarHBondContact O-N 3.33Å; T147-H149 PolarHBondContact OG1-CD2 3.41Å
150	Q	46.3	Very low	48.6	Very low	168 Å²	168	101.7 Å²	101.7	79%	0.785	53%	0.531	S	S	*	.			trans	-120.3	38.2	-178.8	-67.6	-171.6	0.8	0	0	113.7
151	R	52.7	Low	50.5	Low	52 Å²	52	91 Å²	91	20%	0.196	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-73.7	150.4	179.1	-72	176.6	172.1	-154.4	-6.4	113.1	M475 D516 Y553 E579	R151-M475 VanDerWaalsContact NE-CE 3.26Å; R151-D516 IonicContact NH1-OD2 3.14Å; R151-D516 PolarHBondContact NH1-OD2 2.73Å; R151-Y553 VanDerWaalsContact CZ-OH 3.27Å; R151-Y553 PolarHBondContact NH1-OH 2.95Å; R151-Y553 PolarHBondContact NH2-OH 2.9Å; R151-E579 IonicContact CZ-OE1 3.56Å; R151-E579 IonicContact CZ-OE2 2.78Å; R151-E579 IonicContact NH2-OE1 2.76Å; R151-E579 PolarHBondContact NH2-OE1 3.36Å; R151-E579 IonicContact NH2-OE2 3.61Å; R151-E579 PolarHBondContact NH2-OE2 2.87Å
152	R	57	Low	52.5	Low	60 Å²	60	94.1 Å²	94.1	23%	0.226	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-95.5	143.8	172.4	-61.6	-176.2	-170	117.1	9.7	109.7	T550 P551 G589 R590 D591 E592	R152-T550 WeakPolarHBondContact O-CG2 3.39Å; R152-P551 HydrophobicContact CB-CB 4.2Å; R152-P551 HydrophobicContact CB-CG 3.76Å; R152-G589 PolarHBondContact NH2-O 2.8Å; R152-R590 PolarHBondContact NH2-O 3.22Å; R152-R590 VanDerWaalsContact NH2-O 3.07Å; R152-D591 PolarHBondContact NH1-O 3.49Å; R152-D591 PolarHBondContact NH2-O 3.13Å; R152-D591 VanDerWaalsContact NH2-O 3.13Å; R152-E592 VanDerWaalsContact NH1-CA 3.33Å
153	G	51.6	Low	54.7	Low	57 Å²	57	84.2 Å²	84.2	59%	0.588	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-65.8	164.6	177.9	0	0	0	0	0	112.8	I155 P551	G153-I155 PolarHBondContact O-N 3.02Å; G153-P551 WeakPolarHBondContact O-CD 3.34Å
154	A	60	Low	56.6	Low	46 Å²	46	81.7 Å²	81.7	38%	0.38	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-59.6	130.3	176.2	0	0	0	0	0	111.5	M533	A154-M533 HydrophobicContact CB-CE 4.03Å
155	I	61.7	Low	58.7	Low	45 Å²	45	80.4 Å²	80.4	23%	0.231	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	143.9	178.6	-56.7	-179.5	0	0	0	108.6	G153 M533 C548 G549 P551 E592	G153-I155 PolarHBondContact O-N 3.02Å; I155-M533 WeakPolarHBondContact O-CE 3.3Å; I155-C548 CarbonylContact O-C 3.59Å; I155-C548 WeakPolarHBondContact O-CA 3.46Å; I155-G549 PolarHBondContact N-O 3.09Å; I155-G549 PolarHBondContact O-N 3.4Å; I155-P551 HydrophobicContact CD1-CG 3.67Å; I155-P551 HydrophobicContact CG1-CG 4.04Å; I155-E592 WeakPolarHBondContact CD1-OE1 3.16Å
156	K	56	Low	60.9	Low	79 Å²	79	75.5 Å²	75.5	34%	0.343	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	118.9	165.7	-178.6	-178	167	-167.3	0	108.1	D429 C432 M533 C548	K156-D429 IonicContact NZ-OD1 2.69Å; K156-D429 PolarHBondContact NZ-OD1 2.88Å; K156-C432 PolarHBondContact NZ-SG 3.44Å; K156-M533 HydrophobicContact CB-CE 4.17Å; K156-C548 HydrophobicContact CB-CB 4.42Å; K156-C548 HydrophobicContact CG-CB 4.34Å
157	Q	56.8	Low	62.9	Low	108 Å²	108	72 Å²	72	51%	0.505	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-70.3	137.5	176.9	-71.2	-177.5	8.1	0	0	110.3	K159 F547	Q157-K159 PolarHBondContact O-N 2.94Å; Q157-F547 HydrophobicContact CB-CB 4.11Å; Q157-F547 HydrophobicContact CG-CB 3.96Å; Q157-F547 HydrophobicContact CG-CD1 3.64Å; Q157-F547 HydrophobicContact CG-CE1 4.39Å; Q157-F547 HydrophobicContact CG-CG 3.95Å; Q157-F547 PolarHBondContact N-O 3.16Å
158	A	56	Low	64.7	Low	59 Å²	59	69.2 Å²	69.2	49%	0.488	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-58.4	130.9	177.9	0	0	0	0	0	110.6	I160	A158-I160 PolarHBondContact O-N 3.03Å
159	K	61.4	Low	66	Low	142 Å²	142	69.4 Å²	69.4	62%	0.617	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-56.4	122.6	-176.8	-173	177	175.9	-178	0	110.9	Q157 H161	Q157-K159 PolarHBondContact O-N 2.94Å; K159-H161 PolarHBondContact O-CD2 3.23Å
160	I	75.5	Confident	67.8	Low	79 Å²	79	64.8 Å²	64.8	41%	0.405	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	123.6	173.2	-56.2	176	0	0	0	108.2	A158 E167	A158-I160 PolarHBondContact O-N 3.03Å; I160-E167 HydrophobicContact CG2-CB 3.92Å; I160-E167 HydrophobicContact CG2-CG 4.11Å
161	H	73.3	Confident	68.9	Low	38 Å²	38	58 Å²	58	18%	0.176	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	114.3	174.8	-65.6	-116.6	0	0	0	108.9	K159 H166 F168 Y194 I208	K159-H161 PolarHBondContact O-CD2 3.23Å; H161-H166 VanDerWaalsContact O-O 3.05Å; H161-F168 HydrophobicContact CB-CB 4.16Å; H161-F168 PolarHBondContact N-O 2.7Å; H161-F168 WeakPolarHBondContact O-CB 3.41Å; H161-F168 PolarHBondContact O-N 3.23Å; H161-Y194 AromaticContact CD2-CE1 3.79Å; H161-Y194 PolarHBondContact CE1-OH 2.87Å; H161-Y194 AromaticContact NE2-CE1 3.82Å; H161-Y194 AromaticContact NE2-CZ 3.9Å; H161-I208 HydrophobicContact CB-CD1 3.45Å; H161-I208 VanDerWaalsContact CB-CD1 3.45Å
162	L	77.2	Confident	69.6	Low	129 Å²	129	60.6 Å²	60.6	68%	0.675	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	106.1	178.4	-168.9	74.1	0	0	0	110.3	H166 E167	L162-H166 WeakPolarHBondContact CA-O 3.33Å; L162-E167 HydrophobicContact CD1-CG 4.13Å
163	V	76.9	Confident	70.1	Confident	29 Å²	29	58.3 Å²	58.3	18%	0.176	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	118.6	-177.4	-179.6	0	0	0	0	110.9	C165 H166 F168 I208 V211	V163-C165 PolarHBondContact O-N 2.75Å; V163-H166 PolarHBondContact N-O 2.95Å; V163-H166 VanDerWaalsContact O-CB 3.29Å; V163-H166 WeakPolarHBondContact O-CB 3.25Å; V163-H166 PolarHBondContact O-N 2.96Å; V163-F168 HydrophobicContact CB-CD2 4.38Å; V163-I208 HydrophobicContact CB-CG1 4.49Å; V163-I208 HydrophobicContact CG2-CD1 4.11Å; V163-I208 HydrophobicContact CG2-CG1 3.89Å; V163-V211 HydrophobicContact CG1-CB 4.19Å
164	K	76.4	Confident	70.2	Confident	119 Å²	119	60.5 Å²	60.5	52%	0.517	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.4	48.9	-175.1	-49.6	-58.1	-176.8	-176	0	112.1	H166 V211 A213 K214 C215	K164-H166 PolarHBondContact O-N 3.14Å; K164-V211 VanDerWaalsContact CG-O 3.25Å; K164-V211 WeakPolarHBondContact CG-O 3.48Å; K164-A213 WeakPolarHBondContact CB-O 3.03Å; K164-K214 CarbonylContact O-C 3.58Å; K164-K214 VanDerWaalsContact O-CA 3.28Å; K164-K214 WeakPolarHBondContact O-CA 3.44Å; K164-C215 PolarHBondContact O-N 2.83Å
165	C	76.7	Confident	70.6	Confident	52 Å²	52	62.4 Å²	62.4	35%	0.351	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	68	-2.7	-174.8	-46	0	0	0	0	116.7	V163 C215 S218	V163-C165 PolarHBondContact O-N 2.75Å; C165-C215 VanDerWaalsContact C-CB 3.45Å; C165-C215 HydrophobicContact CB-CB 4.07Å; C165-C215 WeakPolarHBondContact O-CB 3.48Å; C165-S218 PolarHBondContact O-OG 3Å
166	H	80	Confident	71.3	Confident	12 Å²	12	63.7 Å²	63.7	6%	0.056	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	126.3	170.4	-68.9	-102.7	0	0	0	110.7	H161 L162 V163 K164 F168 C196 C199 A213 C215	H161-H166 VanDerWaalsContact O-O 3.05Å; L162-H166 WeakPolarHBondContact CA-O 3.33Å; V163-H166 PolarHBondContact N-O 2.95Å; V163-H166 VanDerWaalsContact O-CB 3.29Å; V163-H166 WeakPolarHBondContact O-CB 3.25Å; V163-H166 PolarHBondContact O-N 2.96Å; K164-H166 PolarHBondContact O-N 3.14Å; H166-F168 HydrophobicContact CB-CD2 3.51Å; H166-F168 HydrophobicContact CB-CE1 4.48Å; H166-F168 HydrophobicContact CB-CE2 3.21Å; H166-F168 HydrophobicContact CB-CG 4.27Å; H166-F168 HydrophobicContact CB-CZ 3.75Å; H166-F168 AromaticContact CG-CE2 3.61Å; H166-F168 AromaticContact CG-CZ 3.76Å; H166-F168 AromaticContact ND1-CZ 3.7Å; H166-F168 PolarHBondContact O-N 2.97Å; H166-C196 HydrophobicContact CB-CB 4.22Å; H166-C196 PolarHBondContact ND1-SG 3.13Å; H166-C199 PolarHBondContact CE1-SG 2.85Å; H166-C199 PolarHBondContact ND1-SG 3.2Å; H166-C199 VanDerWaalsContact ND1-SG 3.37Å; H166-A213 PolarHBondContact NE2-O 2.9Å; H166-C215 HydrophobicContact CB-CB 4.24Å; H166-C215 PolarHBondContact CD2-N 2.9Å; H166-C215 WeakPolarHBondContact NE2-CA 3.37Å; H166-C215 PolarHBondContact NE2-N 3.4Å
167	E	83.3	Confident	72.4	Confident	49 Å²	49	60 Å²	60	23%	0.229	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	90.2	163.3	-76.4	176.3	-122	0	0	109.9	I160 L162 C196 R197 Q198	I160-E167 HydrophobicContact CG2-CB 3.92Å; I160-E167 HydrophobicContact CG2-CG 4.11Å; L162-E167 HydrophobicContact CD1-CG 4.13Å; E167-C196 CarbonylContact O-C 3.57Å; E167-C196 VanDerWaalsContact O-CA 3.26Å; E167-C196 WeakPolarHBondContact O-CA 3.45Å; E167-R197 HydrophobicContact CB-CB 4.38Å; E167-R197 PolarHBondContact O-N 3.45Å; E167-R197 IonicContact OE2-CZ 3.69Å; E167-R197 IonicContact OE2-NH1 2.92Å; E167-R197 PolarHBondContact OE2-NH1 3.2Å; E167-Q198 PolarHBondContact OE1-NE2 2.87Å
168	F	85.5	Confident	73.9	Confident	1 Å²	1	57.6 Å²	57.6	0%	0.004	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	120.2	178	-80	-63.7	0	0	0	111.4	H161 V163 H166 Y194 C196 I203 I208 V211	H161-F168 HydrophobicContact CB-CB 4.16Å; H161-F168 PolarHBondContact N-O 2.7Å; H161-F168 WeakPolarHBondContact O-CB 3.41Å; H161-F168 PolarHBondContact O-N 3.23Å; V163-F168 HydrophobicContact CB-CD2 4.38Å; H166-F168 HydrophobicContact CB-CD2 3.51Å; H166-F168 HydrophobicContact CB-CE1 4.48Å; H166-F168 HydrophobicContact CB-CE2 3.21Å; H166-F168 HydrophobicContact CB-CG 4.27Å; H166-F168 HydrophobicContact CB-CZ 3.75Å; H166-F168 AromaticContact CG-CE2 3.61Å; H166-F168 AromaticContact CG-CZ 3.76Å; H166-F168 AromaticContact ND1-CZ 3.7Å; H166-F168 PolarHBondContact O-N 2.97Å; F168-Y194 HydrophobicContact CB-CG 4.26Å; F168-C196 HydrophobicContact CD1-CB 3.89Å; F168-C196 HydrophobicContact CE1-CB 3.69Å; F168-C196 HydrophobicContact CZ-CB 4.25Å; F168-I203 HydrophobicContact CD1-CD1 3.99Å; F168-I203 HydrophobicContact CD1-CG1 4.09Å; F168-I203 HydrophobicContact CD2-CD1 4.19Å; F168-I203 HydrophobicContact CE1-CD1 3.67Å; F168-I203 HydrophobicContact CE1-CG1 3.75Å; F168-I203 HydrophobicContact CE1-CG2 4.41Å; F168-I203 HydrophobicContact CE2-CD1 3.87Å; F168-I203 HydrophobicContact CG-CD1 4.25Å; F168-I203 HydrophobicContact CZ-CD1 3.62Å; F168-I203 HydrophobicContact CZ-CG1 4.14Å; F168-I203 HydrophobicContact CZ-CG2 4.39Å; F168-I208 HydrophobicContact CB-CD1 4.28Å; F168-I208 HydrophobicContact CD2-CD1 4.4Å; F168-I208 HydrophobicContact CD2-CG1 4.37Å; F168-V211 HydrophobicContact CE2-CG1 4.38Å; F168-V211 HydrophobicContact CE2-CG2 4.04Å; F168-V211 HydrophobicContact CZ-CG2 4.21Å
169	S	80.9	Confident	75.5	Confident	22 Å²	22	54.9 Å²	54.9	15%	0.154	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	145.8	169.4	53.7	0	0	0	0	110.3	T171 Y194 Q195	S169-T171 PolarHBondContact O-N 2.86Å; S169-T171 PolarHBondContact O-OG1 2.87Å; S169-T171 VanDerWaalsContact O-OG1 3.06Å; S169-Y194 VanDerWaalsContact O-CA 3.3Å; S169-Y194 WeakPolarHBondContact O-CA 3.31Å; S169-Q195 PolarHBondContact N-O 3.44Å; S169-Q195 PolarHBondContact O-N 3.34Å; S169-Q195 PolarHBondContact OG-O 2.83Å
170	A	77.8	Confident	76.8	Confident	15 Å²	15	49.2 Å²	49.2	12%	0.124	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	127.7	173.1	0	0	0	0	0	109.4	K191 Y194	A170-K191 HydrophobicContact CB-CB 4.31Å; A170-K191 HydrophobicContact CB-CD 3.84Å; A170-Y194 HydrophobicContact CB-CD1 4.16Å; A170-Y194 HydrophobicContact CB-CE1 4.06Å
171	T	69.9	Low	77.4	Confident	25 Å²	25	45.9 Å²	45.9	15%	0.153	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	135.6	-167.4	-61.4	0	0	0	0	111.3	S169 F173 K191 Q192 G193 Q195	S169-T171 PolarHBondContact O-N 2.86Å; S169-T171 PolarHBondContact O-OG1 2.87Å; S169-T171 VanDerWaalsContact O-OG1 3.06Å; T171-F173 HydrophobicContact CG2-CE1 4.23Å; T171-F173 HydrophobicContact CG2-CZ 4.37Å; T171-K191 CarbonylContact O-C 3.59Å; T171-K191 VanDerWaalsContact O-CA 3.3Å; T171-K191 WeakPolarHBondContact O-CA 3.23Å; T171-Q192 PolarHBondContact O-N 3.02Å; T171-G193 PolarHBondContact N-O 2.91Å; T171-Q195 HydrophobicContact CG2-CB 3.94Å; T171-Q195 WeakPolarHBondContact OG1-CB 3.3Å
172	F	68.1	Low	77.9	Confident	107 Å²	107	45.7 Å²	45.7	47%	0.469	25%	0.249	S	C	.	.			trans	-80.6	124.5	166.7	176.7	-120.5	0	0	0	109.3	P174 K191 Q192	F172-P174 HydrophobicContact CD1-CB 4.25Å; F172-P174 HydrophobicContact CE1-CB 3.75Å; F172-P174 HydrophobicContact CZ-CB 4.4Å; F172-P174 VanDerWaalsContact O-CD 3.26Å; F172-P174 WeakPolarHBondContact O-CD 3.48Å; F172-K191 HydrophobicContact CB-CG 4.48Å; F172-Q192 VanDerWaalsContact CE2-NE2 3.29Å
173	F	68	Low	78.2	Confident	12 Å²	12	45.9 Å²	45.9	5%	0.053	24%	0.244	C	C	.	.			trans	-96.7	102.7	172.5	-60.6	-75	0	0	0	107.9	T171 Q175 T177 V186 Q192 Q195 A202	T171-F173 HydrophobicContact CG2-CE1 4.23Å; T171-F173 HydrophobicContact CG2-CZ 4.37Å; F173-Q175 PolarHBondContact O-N 2.84Å; F173-T177 HydrophobicContact CB-CG2 4.38Å; F173-T177 WeakPolarHBondContact CB-OG1 3.29Å; F173-T177 HydrophobicContact CD1-CG2 3.66Å; F173-T177 HydrophobicContact CD2-CG2 4.46Å; F173-T177 HydrophobicContact CE1-CG2 4Å; F173-T177 HydrophobicContact CG-CG2 3.91Å; F173-V186 HydrophobicContact CD2-CG1 4.2Å; F173-V186 HydrophobicContact CE2-CG1 4.22Å; F173-Q192 HydrophobicContact CD2-CB 4.36Å; F173-Q192 PolarHBondContact O-NE2 2.88Å; F173-Q192 VanDerWaalsContact O-NE2 3.1Å; F173-Q195 HydrophobicContact CE1-CB 3.98Å; F173-Q195 HydrophobicContact CE1-CG 4.25Å; F173-Q195 HydrophobicContact CZ-CB 3.89Å; F173-A202 HydrophobicContact CE1-CB 3.66Å; F173-A202 HydrophobicContact CZ-CB 3.68Å
174	P	54	Low	78.5	Confident	103 Å²	103	50.6 Å²	50.6	67%	0.669	26%	0.264	S	S	*	.	S	Bend	trans	-74.5	-4.9	-179.6	30.9	-36.8	0	0	0	113.2	F172	F172-P174 HydrophobicContact CD1-CB 4.25Å; F172-P174 HydrophobicContact CE1-CB 3.75Å; F172-P174 HydrophobicContact CZ-CB 4.4Å; F172-P174 VanDerWaalsContact O-CD 3.26Å; F172-P174 WeakPolarHBondContact O-CD 3.48Å
175	Q	67.8	Low	78.8	Confident	85 Å²	85	49.2 Å²	49.2	40%	0.397	26%	0.258	S	S	.	.	S	Bend	trans	-121.6	151	178.7	-58.7	-176.6	4.2	0	0	108.9	F173 T177	F173-Q175 PolarHBondContact O-N 2.84Å; Q175-T177 PolarHBondContact O-N 2.7Å; Q175-T177 PolarHBondContact O-OG1 2.76Å
176	P	75.1	Confident	78.7	Confident	73 Å²	73	46.9 Å²	46.9	47%	0.474	24%	0.243	S	C	.	.			trans	-53.1	117.8	172.9	-25.7	34.5	0	0	0	110.7	F185 F250	P176-F185 HydrophobicContact CB-CE2 3.93Å; P176-F250 HydrophobicContact CB-CE1 4.01Å; P176-F250 HydrophobicContact CB-CZ 4.24Å; P176-F250 VanDerWaalsContact O-CE1 3.25Å; P176-F250 WeakPolarHBondContact O-CE1 3.44Å
177	T	81	Confident	77.9	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.012	27%	0.27	C	S	.	.			trans	-128.6	135.7	-170.1	-64	0	0	0	0	109.4	F173 Q175 F185 V186 A202 G255	F173-T177 HydrophobicContact CB-CG2 4.38Å; F173-T177 WeakPolarHBondContact CB-OG1 3.29Å; F173-T177 HydrophobicContact CD1-CG2 3.66Å; F173-T177 HydrophobicContact CD2-CG2 4.46Å; F173-T177 HydrophobicContact CE1-CG2 4Å; F173-T177 HydrophobicContact CG-CG2 3.91Å; Q175-T177 PolarHBondContact O-N 2.7Å; Q175-T177 PolarHBondContact O-OG1 2.76Å; T177-F185 WeakPolarHBondContact O-CD2 3.44Å; T177-V186 WeakPolarHBondContact O-CA 3.48Å; T177-V186 VanDerWaalsContact O-CB 3.29Å; T177-V186 WeakPolarHBondContact O-CB 3.32Å; T177-V186 WeakPolarHBondContact O-CG2 3.42Å; T177-V186 PolarHBondContact O-N 2.85Å; T177-A202 HydrophobicContact CG2-CB 3.69Å; T177-G255 WeakPolarHBondContact CA-O 3.39Å
178	F	87.8	Confident	76.3	Confident	57 Å²	57	53.2 Å²	53.2	25%	0.25	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-110	144.5	-178.9	-69.3	-99	0	0	0	111.8	K183 F185 F250 G255	F178-K183 WeakPolarHBondContact CD1-O 3.25Å; F178-F185 HydrophobicContact CD1-CB 4.1Å; F178-F185 HydrophobicContact CE1-CB 3.71Å; F178-F185 HydrophobicContact CE1-CD2 4.36Å; F178-F185 HydrophobicContact CE1-CG 4.42Å; F178-F185 HydrophobicContact CE2-CD2 4.24Å; F178-F185 HydrophobicContact CZ-CB 4.2Å; F178-F185 HydrophobicContact CZ-CD2 4.12Å; F178-F185 HydrophobicContact CZ-CG 4.45Å; F178-F250 HydrophobicContact CD2-CB 3.85Å; F178-F250 AromaticContact CD2-CD1 3.75Å; F178-F250 HydrophobicContact CD2-CD1 3.75Å; F178-F250 AromaticContact CD2-CD2 3.91Å; F178-F250 HydrophobicContact CD2-CD2 3.91Å; F178-F250 HydrophobicContact CD2-CE1 4.3Å; F178-F250 HydrophobicContact CD2-CE2 4.45Å; F178-F250 AromaticContact CD2-CG 3.54Å; F178-F250 HydrophobicContact CD2-CG 3.54Å; F178-F250 HydrophobicContact CE2-CB 4.37Å; F178-F250 AromaticContact CE2-CD1 3.81Å; F178-F250 HydrophobicContact CE2-CD1 3.81Å; F178-F250 AromaticContact CE2-CD2 3.53Å; F178-F250 HydrophobicContact CE2-CD2 3.53Å; F178-F250 AromaticContact CE2-CE1 3.94Å; F178-F250 HydrophobicContact CE2-CE1 3.94Å; F178-F250 AromaticContact CE2-CE2 3.67Å; F178-F250 HydrophobicContact CE2-CE2 3.67Å; F178-F250 AromaticContact CE2-CG 3.62Å; F178-F250 HydrophobicContact CE2-CG 3.62Å; F178-F250 AromaticContact CE2-CZ 3.87Å; F178-F250 HydrophobicContact CE2-CZ 3.87Å; F178-F250 HydrophobicContact CZ-CD2 4.34Å; F178-F250 HydrophobicContact CZ-CE2 4.36Å; F178-G255 PolarHBondContact N-O 2.82Å; F178-G255 VanDerWaalsContact N-O 3.1Å; F178-G255 WeakPolarHBondContact O-CA 3.35Å
179	C	88.9	Confident	73.9	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.014	29%	0.291	C	S	.	.			trans	-73.1	129.3	-176.8	171.9	0	0	0	0	111.1	V181 K183 E184 V186 A202 H204	C179-V181 PolarHBondContact O-N 3.46Å; C179-V181 PolarHBondContact SG-N 3.15Å; C179-K183 WeakPolarHBondContact O-CA 3.39Å; C179-K183 PolarHBondContact O-N 2.92Å; C179-E184 PolarHBondContact N-O 3.44Å; C179-V186 HydrophobicContact CB-CG2 3.82Å; C179-A202 CarbonylContact C-O 3.06Å; C179-A202 WeakPolarHBondContact CA-O 3.49Å; C179-H204 VanDerWaalsContact CB-CE1 3.48Å; C179-H204 WeakPolarHBondContact CB-CE1 3.36Å; C179-H204 VanDerWaalsContact CB-ND1 3.27Å; C179-H204 WeakPolarHBondContact CB-ND1 3.46Å
180	S	90	Very high	72.5	Confident	23 Å²	23	58.3 Å²	58.3	16%	0.161	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.7	178.6	64.5	0	0	0	0	114.4	A202 I203 Q252	S180-A202 PolarHBondContact N-O 3.39Å; S180-A202 PolarHBondContact OG-O 3.07Å; S180-I203 WeakPolarHBondContact OG-CG2 3.13Å; S180-Q252 WeakPolarHBondContact CA-O 3.45Å; S180-Q252 WeakPolarHBondContact CB-O 3.37Å
181	V	86.9	Confident	71.4	Confident	9 Å²	9	60.3 Å²	60.3	6%	0.055	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-58	-179.1	178.9	0	0	0	0	111.5	C179 I203 C207 K210 V211	C179-V181 PolarHBondContact O-N 3.46Å; C179-V181 PolarHBondContact SG-N 3.15Å; V181-I203 HydrophobicContact CG2-CG2 3.81Å; V181-C207 HydrophobicContact CB-CB 4.26Å; V181-C207 HydrophobicContact CG1-CB 4.47Å; V181-K210 HydrophobicContact CG1-CB 3.9Å; V181-V211 HydrophobicContact CG2-CG2 3.97Å
182	C	83.3	Confident	71.4	Confident	34 Å²	34	60.5 Å²	60.5	23%	0.23	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-6.8	-174.8	75.2	0	0	0	0	114.5	E184 H204	C182-E184 PolarHBondContact O-N 3.05Å; C182-E184 VanDerWaalsContact O-N 3.08Å; C182-H204 PolarHBondContact SG-CE1 3.4Å; C182-H204 PolarHBondContact SG-ND1 3.49Å
183	K	84.4	Confident	71.9	Confident	132 Å²	132	55.4 Å²	55.4	57%	0.574	28%	0.28	S	S	*	.			trans	65	-0.3	-179	-53.6	174	-175.9	175.5	0	115.8	F178 C179	F178-K183 WeakPolarHBondContact CD1-O 3.25Å; C179-K183 WeakPolarHBondContact O-CA 3.39Å; C179-K183 PolarHBondContact O-N 2.92Å
184	E	83.6	Confident	72.9	Confident	129 Å²	129	55.7 Å²	55.7	60%	0.603	28%	0.281	S	S	*	.	S	Bend	trans	-78	158.3	175.5	-61.5	-56.7	147.6	0	0	112.7	C179 C182 V186 H204	C179-E184 PolarHBondContact N-O 3.44Å; C182-E184 PolarHBondContact O-N 3.05Å; C182-E184 VanDerWaalsContact O-N 3.08Å; E184-V186 PolarHBondContact O-N 3.15Å; E184-H204 PolarHBondContact O-CE1 2.87Å
185	F	81.7	Confident	74.5	Confident	90 Å²	90	53 Å²	53	40%	0.395	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-62.6	129.8	178.5	-178.9	-136.1	0	0	0	111.8	P176 T177 F178 W187 H204	P176-F185 HydrophobicContact CB-CE2 3.93Å; T177-F185 WeakPolarHBondContact O-CD2 3.44Å; F178-F185 HydrophobicContact CD1-CB 4.1Å; F178-F185 HydrophobicContact CE1-CB 3.71Å; F178-F185 HydrophobicContact CE1-CD2 4.36Å; F178-F185 HydrophobicContact CE1-CG 4.42Å; F178-F185 HydrophobicContact CE2-CD2 4.24Å; F178-F185 HydrophobicContact CZ-CB 4.2Å; F178-F185 HydrophobicContact CZ-CD2 4.12Å; F178-F185 HydrophobicContact CZ-CG 4.45Å; F185-W187 VanDerWaalsContact C-N 3.31Å; F185-W187 HydrophobicContact CD1-CB 3.69Å; F185-W187 HydrophobicContact CE1-CB 3.66Å; F185-W187 HydrophobicContact CG-CB 4.49Å; F185-W187 HydrophobicContact CZ-CB 4.42Å; F185-W187 PolarHBondContact O-N 3.23Å; F185-W187 VanDerWaalsContact O-N 3.08Å; F185-H204 PolarHBondContact O-NE2 3.47Å
186	V	75.8	Confident	75.5	Confident	3 Å²	3	49 Å²	49	2%	0.018	24%	0.241	C	C	.	.			trans	-83.9	79.1	176.6	-167.8	0	0	0	0	108.7	F173 T177 C179 E184 Q192 H204	F173-V186 HydrophobicContact CD2-CG1 4.2Å; F173-V186 HydrophobicContact CE2-CG1 4.22Å; T177-V186 WeakPolarHBondContact O-CA 3.48Å; T177-V186 VanDerWaalsContact O-CB 3.29Å; T177-V186 WeakPolarHBondContact O-CB 3.32Å; T177-V186 WeakPolarHBondContact O-CG2 3.42Å; T177-V186 PolarHBondContact O-N 2.85Å; C179-V186 HydrophobicContact CB-CG2 3.82Å; E184-V186 PolarHBondContact O-N 3.15Å; V186-Q192 HydrophobicContact CG1-CB 3.73Å; V186-Q192 WeakPolarHBondContact CG1-O 3.38Å; V186-H204 WeakPolarHBondContact CA-NE2 3.48Å
187	W	62	Low	75.9	Confident	166 Å²	166	52.7 Å²	52.7	63%	0.629	25%	0.246	S	C	*	.			trans	-94.1	159.9	177.7	71.8	-87.3	0	0	0	112.1	F185	F185-W187 VanDerWaalsContact C-N 3.31Å; F185-W187 HydrophobicContact CD1-CB 3.69Å; F185-W187 HydrophobicContact CE1-CB 3.66Å; F185-W187 HydrophobicContact CG-CB 4.49Å; F185-W187 HydrophobicContact CZ-CB 4.42Å; F185-W187 PolarHBondContact O-N 3.23Å; F185-W187 VanDerWaalsContact O-N 3.08Å
188	G	49.6	Very low	76	Confident	28 Å²	28	55.1 Å²	55.1	29%	0.289	26%	0.257	S	S	.	.	S	Bend	trans	142	164.2	-167.6	0	0	0	0	0	107.9	Q192	G188-Q192 WeakPolarHBondContact O-CG 3.38Å
189	L	35.5	Very low	75.7	Confident	73 Å²	73	52.4 Å²	52.4	38%	0.382	25%	0.245	S	C	.	.	S	Bend	trans	-115	122.1	179.6	-74.7	136.5	0	0	0	107.7	L690	L189-L690 HydrophobicContact CB-CD1 4.03Å; L189-L690 HydrophobicContact CB-CD2 3.37Å; L189-L690 HydrophobicContact CB-CG 3.4Å; L189-L690 VanDerWaalsContact CB-CG 3.4Å; L189-L690 HydrophobicContact CD1-CB 4.3Å; L189-L690 HydrophobicContact CD1-CD2 4.29Å; L189-L690 HydrophobicContact CD1-CG 3.82Å; L189-L690 HydrophobicContact CD2-CG 4.33Å; L189-L690 HydrophobicContact CG-CD2 4.38Å; L189-L690 HydrophobicContact CG-CG 4.01Å
190	N	52	Low	75.7	Confident	56 Å²	56	55.5 Å²	55.5	30%	0.299	26%	0.261	S	S	.	.	S	Bend	trans	67.9	-155.6	-161.4	-51.5	-84.3	0	0	0	111.4	Q192 M426	N190-Q192 WeakPolarHBondContact O-CA 3.39Å; N190-Q192 WeakPolarHBondContact O-CG 3.37Å; N190-Q192 PolarHBondContact O-N 3.49Å; N190-Q192 PolarHBondContact O-OE1 2.72Å; N190-M426 HydrophobicContact CB-CB 3.72Å; N190-M426 HydrophobicContact CB-CG 3.58Å; N190-M426 HydrophobicContact CB-SD 4.07Å; N190-M426 WeakPolarHBondContact ND2-CE 3.33Å; N190-M426 WeakPolarHBondContact ND2-CG 3.43Å; N190-M426 PolarHBondContact ND2-SD 3.21Å
191	K	55.1	Low	75.8	Confident	58 Å²	58	54.6 Å²	54.6	25%	0.252	26%	0.255	S	S	.	.	S	Bend	trans	-51.2	85.3	-162.8	-60.3	177.9	-170.2	118.9	0	114.3	A170 T171 F172 G193 M426 D427	A170-K191 HydrophobicContact CB-CB 4.31Å; A170-K191 HydrophobicContact CB-CD 3.84Å; T171-K191 CarbonylContact O-C 3.59Å; T171-K191 VanDerWaalsContact O-CA 3.3Å; T171-K191 WeakPolarHBondContact O-CA 3.23Å; F172-K191 HydrophobicContact CB-CG 4.48Å; K191-G193 PolarHBondContact O-N 3.35Å; K191-M426 VanDerWaalsContact CD-O 3.32Å; K191-M426 WeakPolarHBondContact CD-O 3.47Å; K191-M426 PolarHBondContact NZ-O 3.5Å; K191-D427 IonicContact NZ-OD1 4Å; K191-D427 PolarHBondContact NZ-OD1 3.23Å
192	Q	68.4	Low	76	Confident	29 Å²	29	54.1 Å²	54.1	14%	0.136	25%	0.252	C	S	.	.			trans	-74.7	-15.9	-164.3	-55.6	91	-21.4	0	0	113.1	T171 F172 F173 V186 G188 N190	T171-Q192 PolarHBondContact O-N 3.02Å; F172-Q192 VanDerWaalsContact CE2-NE2 3.29Å; F173-Q192 HydrophobicContact CD2-CB 4.36Å; F173-Q192 PolarHBondContact O-NE2 2.88Å; F173-Q192 VanDerWaalsContact O-NE2 3.1Å; V186-Q192 HydrophobicContact CG1-CB 3.73Å; V186-Q192 WeakPolarHBondContact CG1-O 3.38Å; G188-Q192 WeakPolarHBondContact O-CG 3.38Å; N190-Q192 WeakPolarHBondContact O-CA 3.39Å; N190-Q192 WeakPolarHBondContact O-CG 3.37Å; N190-Q192 PolarHBondContact O-N 3.49Å; N190-Q192 PolarHBondContact O-OE1 2.72Å
193	G	80	Confident	76.3	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168	-166.8	-176.7	0	0	0	0	0	111.6	T171 K191 I203	T171-G193 PolarHBondContact N-O 2.91Å; K191-G193 PolarHBondContact O-N 3.35Å; G193-I203 CarbonylContact C-O 3.53Å; G193-I203 WeakPolarHBondContact CA-O 3.32Å
194	Y	87.9	Confident	76.2	Confident	17 Å²	17	46.9 Å²	46.9	7%	0.067	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	139.1	174.3	-59.5	-69.7	0	0	0	110.7	H161 F168 S169 A170 I203 K205 I208	H161-Y194 AromaticContact CD2-CE1 3.79Å; H161-Y194 PolarHBondContact CE1-OH 2.87Å; H161-Y194 AromaticContact NE2-CE1 3.82Å; H161-Y194 AromaticContact NE2-CZ 3.9Å; F168-Y194 HydrophobicContact CB-CG 4.26Å; S169-Y194 VanDerWaalsContact O-CA 3.3Å; S169-Y194 WeakPolarHBondContact O-CA 3.31Å; A170-Y194 HydrophobicContact CB-CD1 4.16Å; A170-Y194 HydrophobicContact CB-CE1 4.06Å; Y194-I203 HydrophobicContact CD2-CD1 4.37Å; Y194-I203 HydrophobicContact CD2-CG1 4.44Å; Y194-I203 PolarHBondContact N-O 3.41Å; Y194-I203 PolarHBondContact O-N 3.26Å; Y194-K205 HydrophobicContact CD2-CB 4.48Å; Y194-K205 HydrophobicContact CD2-CG 4.34Å; Y194-K205 HydrophobicContact CE2-CB 3.89Å; Y194-K205 HydrophobicContact CE2-CG 3.88Å; Y194-I208 HydrophobicContact CD2-CB 4.16Å; Y194-I208 HydrophobicContact CD2-CD1 3.77Å; Y194-I208 HydrophobicContact CD2-CG1 4.36Å; Y194-I208 HydrophobicContact CE2-CB 4.15Å; Y194-I208 HydrophobicContact CE2-CD1 3.73Å; Y194-I208 HydrophobicContact CE2-CG1 4.49Å; Y194-I208 HydrophobicContact CE2-CG2 4.34Å; Y194-I208 HydrophobicContact CG-CD1 4.37Å
195	Q	88.7	Confident	76.2	Confident	47 Å²	47	43.9 Å²	43.9	22%	0.22	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.6	165.2	-166.5	168.4	45.6	0	0	110	S169 T171 F173 R197 N200 A201	S169-Q195 PolarHBondContact N-O 3.44Å; S169-Q195 PolarHBondContact O-N 3.34Å; S169-Q195 PolarHBondContact OG-O 2.83Å; T171-Q195 HydrophobicContact CG2-CB 3.94Å; T171-Q195 WeakPolarHBondContact OG1-CB 3.3Å; F173-Q195 HydrophobicContact CE1-CB 3.98Å; F173-Q195 HydrophobicContact CE1-CG 4.25Å; F173-Q195 HydrophobicContact CZ-CB 3.89Å; Q195-R197 PolarHBondContact O-N 3.08Å; Q195-N200 PolarHBondContact NE2-O 2.92Å; Q195-A201 CarbonylContact C-O 3.57Å; Q195-A201 WeakPolarHBondContact CA-O 3.37Å
196	C	88.1	Confident	76	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	120.8	172.2	175.7	0	0	0	0	109.9	H166 E167 F168 Q198 N200 A201	H166-C196 HydrophobicContact CB-CB 4.22Å; H166-C196 PolarHBondContact ND1-SG 3.13Å; E167-C196 CarbonylContact O-C 3.57Å; E167-C196 VanDerWaalsContact O-CA 3.26Å; E167-C196 WeakPolarHBondContact O-CA 3.45Å; F168-C196 HydrophobicContact CD1-CB 3.89Å; F168-C196 HydrophobicContact CE1-CB 3.69Å; F168-C196 HydrophobicContact CZ-CB 4.25Å; C196-Q198 PolarHBondContact O-N 3.39Å; C196-Q198 VanDerWaalsContact O-N 3.16Å; C196-N200 WeakPolarHBondContact O-CA 3.39Å; C196-N200 PolarHBondContact O-N 3.39Å; C196-A201 HydrophobicContact CB-CB 4.33Å; C196-A201 PolarHBondContact N-O 3.47Å
197	R	82.8	Confident	76.2	Confident	151 Å²	151	47.4 Å²	47.4	57%	0.57	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.3	-176.9	-63.2	175.3	73.5	-153.5	12.5	113.7	E167 Q195	E167-R197 HydrophobicContact CB-CB 4.38Å; E167-R197 PolarHBondContact O-N 3.45Å; E167-R197 IonicContact OE2-CZ 3.69Å; E167-R197 IonicContact OE2-NH1 2.92Å; E167-R197 PolarHBondContact OE2-NH1 3.2Å; Q195-R197 PolarHBondContact O-N 3.08Å
198	Q	83.8	Confident	77.1	Confident	53 Å²	53	40 Å²	40	25%	0.248	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-53.5	-175.6	-57.4	173.4	-1	0	0	112.7	E167 C196 C215 S218 K282	E167-Q198 PolarHBondContact OE1-NE2 2.87Å; C196-Q198 PolarHBondContact O-N 3.39Å; C196-Q198 VanDerWaalsContact O-N 3.16Å; Q198-C215 PolarHBondContact OE1-SG 2.95Å; Q198-S218 VanDerWaalsContact OE1-CA 3.31Å; Q198-S218 VanDerWaalsContact OE1-N 3.14Å; Q198-S218 PolarHBondContact OE1-OG 3.09Å; Q198-K282 PolarHBondContact O-NZ 3.16Å
199	C	81.7	Confident	78.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-6.9	-174	75	0	0	0	0	114.1	H166 A201 H253 K282	H166-C199 PolarHBondContact CE1-SG 2.85Å; H166-C199 PolarHBondContact ND1-SG 3.2Å; H166-C199 VanDerWaalsContact ND1-SG 3.37Å; C199-A201 PolarHBondContact O-N 2.99Å; C199-A201 VanDerWaalsContact SG-CB 3.53Å; C199-H253 PolarHBondContact O-NE2 3.24Å; C199-K282 HydrophobicContact CB-CB 4.46Å; C199-K282 WeakPolarHBondContact O-CD 3.42Å
200	N	89.4	Confident	80.6	Confident	67 Å²	67	45.3 Å²	45.3	36%	0.358	21%	0.209	S	C	.	.			trans	62.9	15.8	-177.2	-51	51.4	0	0	0	114.6	Q195 C196 A202 C254 K282	Q195-N200 PolarHBondContact NE2-O 2.92Å; C196-N200 WeakPolarHBondContact O-CA 3.39Å; C196-N200 PolarHBondContact O-N 3.39Å; N200-A202 PolarHBondContact O-N 3.18Å; N200-C254 HydrophobicContact CB-CB 4.44Å; N200-C254 WeakPolarHBondContact O-CA 3.27Å; N200-C254 WeakPolarHBondContact O-CB 3.31Å; N200-K282 PolarHBondContact OD1-NZ 2.79Å; N200-K282 VanDerWaalsContact OD1-NZ 3.16Å
201	A	90.5	Very high	82	Confident	3 Å²	3	43 Å²	43	3%	0.025	20%	0.197	C	C	.	.			trans	-59.9	132.9	173.4	0	0	0	0	0	110.5	Q195 C196 C199 H253	Q195-A201 CarbonylContact C-O 3.57Å; Q195-A201 WeakPolarHBondContact CA-O 3.37Å; C196-A201 HydrophobicContact CB-CB 4.33Å; C196-A201 PolarHBondContact N-O 3.47Å; C199-A201 PolarHBondContact O-N 2.99Å; C199-A201 VanDerWaalsContact SG-CB 3.53Å; A201-H253 WeakPolarHBondContact CA-O 3.29Å
202	A	91.1	Very high	83	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.2	-177.1	0	0	0	0	0	111	F173 T177 C179 S180 N200 H253 C254	F173-A202 HydrophobicContact CE1-CB 3.66Å; F173-A202 HydrophobicContact CZ-CB 3.68Å; T177-A202 HydrophobicContact CG2-CB 3.69Å; C179-A202 CarbonylContact C-O 3.06Å; C179-A202 WeakPolarHBondContact CA-O 3.49Å; S180-A202 PolarHBondContact N-O 3.39Å; S180-A202 PolarHBondContact OG-O 3.07Å; N200-A202 PolarHBondContact O-N 3.18Å; A202-H253 PolarHBondContact N-O 3.16Å; A202-C254 WeakPolarHBondContact CB-O 3.42Å
203	I	90.4	Very high	83.3	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	154.1	-177.8	61.8	169.2	0	0	0	112.5	F168 S180 V181 G193 Y194 C207 I208 V211	F168-I203 HydrophobicContact CD1-CD1 3.99Å; F168-I203 HydrophobicContact CD1-CG1 4.09Å; F168-I203 HydrophobicContact CD2-CD1 4.19Å; F168-I203 HydrophobicContact CE1-CD1 3.67Å; F168-I203 HydrophobicContact CE1-CG1 3.75Å; F168-I203 HydrophobicContact CE1-CG2 4.41Å; F168-I203 HydrophobicContact CE2-CD1 3.87Å; F168-I203 HydrophobicContact CG-CD1 4.25Å; F168-I203 HydrophobicContact CZ-CD1 3.62Å; F168-I203 HydrophobicContact CZ-CG1 4.14Å; F168-I203 HydrophobicContact CZ-CG2 4.39Å; S180-I203 WeakPolarHBondContact OG-CG2 3.13Å; V181-I203 HydrophobicContact CG2-CG2 3.81Å; G193-I203 CarbonylContact C-O 3.53Å; G193-I203 WeakPolarHBondContact CA-O 3.32Å; Y194-I203 HydrophobicContact CD2-CD1 4.37Å; Y194-I203 HydrophobicContact CD2-CG1 4.44Å; Y194-I203 PolarHBondContact N-O 3.41Å; Y194-I203 PolarHBondContact O-N 3.26Å; I203-C207 HydrophobicContact CB-CB 4.49Å; I203-I208 HydrophobicContact CD1-CB 3.97Å; I203-I208 HydrophobicContact CD1-CG1 4.04Å; I203-V211 HydrophobicContact CD1-CG2 3.92Å
204	H	82.9	Confident	83.3	Confident	13 Å²	13	47 Å²	47	6%	0.06	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	154.5	166.2	-61.9	102.3	0	0	0	111.4	C179 C182 E184 F185 V186 K206 C207	C179-H204 VanDerWaalsContact CB-CE1 3.48Å; C179-H204 WeakPolarHBondContact CB-CE1 3.36Å; C179-H204 VanDerWaalsContact CB-ND1 3.27Å; C179-H204 WeakPolarHBondContact CB-ND1 3.46Å; C182-H204 PolarHBondContact SG-CE1 3.4Å; C182-H204 PolarHBondContact SG-ND1 3.49Å; E184-H204 PolarHBondContact O-CE1 2.87Å; F185-H204 PolarHBondContact O-NE2 3.47Å; V186-H204 WeakPolarHBondContact CA-NE2 3.48Å; H204-K206 VanDerWaalsContact C-N 3.27Å; H204-K206 HydrophobicContact CB-CG 3.89Å; H204-K206 PolarHBondContact O-N 3.15Å; H204-C207 HydrophobicContact CB-CB 4.19Å; H204-C207 PolarHBondContact O-N 2.92Å
205	K	82.2	Confident	82.8	Confident	66 Å²	66	46.6 Å²	46.6	29%	0.287	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-52.9	-45	170.4	-64.4	-167.6	179.7	-175	0	112	Y194 C207 I208 D428	Y194-K205 HydrophobicContact CD2-CB 4.48Å; Y194-K205 HydrophobicContact CD2-CG 4.34Å; Y194-K205 HydrophobicContact CE2-CB 3.89Å; Y194-K205 HydrophobicContact CE2-CG 3.88Å; K205-C207 PolarHBondContact O-N 3.21Å; K205-I208 WeakPolarHBondContact O-CG2 3.34Å; K205-I208 PolarHBondContact O-N 2.69Å; K205-D428 IonicContact NZ-OD1 3.08Å; K205-D428 PolarHBondContact NZ-OD1 3.14Å
206	K	78.6	Confident	82.2	Confident	160 Å²	160	46.8 Å²	46.8	70%	0.696	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-69	-4.4	177.2	72.4	-178.1	178.8	-174.1	0	116.4	H204	H204-K206 VanDerWaalsContact C-N 3.27Å; H204-K206 HydrophobicContact CB-CG 3.89Å; H204-K206 PolarHBondContact O-N 3.15Å
207	C	79.1	Confident	81.1	Confident	7 Å²	7	48.4 Å²	48.4	5%	0.047	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-107.8	1.4	-177.6	-72.4	0	0	0	0	113	V181 I203 H204 K205 K210	V181-C207 HydrophobicContact CB-CB 4.26Å; V181-C207 HydrophobicContact CG1-CB 4.47Å; I203-C207 HydrophobicContact CB-CB 4.49Å; H204-C207 HydrophobicContact CB-CB 4.19Å; H204-C207 PolarHBondContact O-N 2.92Å; K205-C207 PolarHBondContact O-N 3.21Å; C207-K210 PolarHBondContact O-N 2.91Å; C207-K210 VanDerWaalsContact O-N 3.15Å
208	I	82	Confident	79.9	Confident	10 Å²	10	42.4 Å²	42.4	5%	0.051	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-63	-44.3	-175.1	-166	168.2	0	0	0	112.9	H161 V163 F168 Y194 I203 K205 K210 V211	H161-I208 HydrophobicContact CB-CD1 3.45Å; H161-I208 VanDerWaalsContact CB-CD1 3.45Å; V163-I208 HydrophobicContact CB-CG1 4.49Å; V163-I208 HydrophobicContact CG2-CD1 4.11Å; V163-I208 HydrophobicContact CG2-CG1 3.89Å; F168-I208 HydrophobicContact CB-CD1 4.28Å; F168-I208 HydrophobicContact CD2-CD1 4.4Å; F168-I208 HydrophobicContact CD2-CG1 4.37Å; Y194-I208 HydrophobicContact CD2-CB 4.16Å; Y194-I208 HydrophobicContact CD2-CD1 3.77Å; Y194-I208 HydrophobicContact CD2-CG1 4.36Å; Y194-I208 HydrophobicContact CE2-CB 4.15Å; Y194-I208 HydrophobicContact CE2-CD1 3.73Å; Y194-I208 HydrophobicContact CE2-CG1 4.49Å; Y194-I208 HydrophobicContact CE2-CG2 4.34Å; Y194-I208 HydrophobicContact CG-CD1 4.37Å; I203-I208 HydrophobicContact CD1-CB 3.97Å; I203-I208 HydrophobicContact CD1-CG1 4.04Å; K205-I208 WeakPolarHBondContact O-CG2 3.34Å; K205-I208 PolarHBondContact O-N 2.69Å; I208-K210 PolarHBondContact O-N 3.25Å; I208-V211 WeakPolarHBondContact O-CB 3.47Å; I208-V211 WeakPolarHBondContact O-CG2 3.38Å; I208-V211 PolarHBondContact O-N 2.87Å
209	D	77.5	Confident	78.2	Confident	140 Å²	140	43.8 Å²	43.8	75%	0.749	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-74.7	-8.5	178.9	-46.5	-59.8	0	0	0	112.9
210	K	79.8	Confident	76.6	Confident	73 Å²	73	50 Å²	50	32%	0.317	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-93.7	5.4	176.2	-57.8	-165.5	175.5	-159.9	0	113	V181 C207 I208 I212 A295 E296	V181-K210 HydrophobicContact CG1-CB 3.9Å; C207-K210 PolarHBondContact O-N 2.91Å; C207-K210 VanDerWaalsContact O-N 3.15Å; I208-K210 PolarHBondContact O-N 3.25Å; K210-I212 PolarHBondContact O-N 3Å; K210-A295 HydrophobicContact CB-CB 4.35Å; K210-E296 IonicContact NZ-OE1 2.93Å; K210-E296 PolarHBondContact NZ-OE1 3.45Å
211	V	81.4	Confident	74.4	Confident	8 Å²	8	53.5 Å²	53.5	5%	0.048	30%	0.297	C	S	.	.			trans	-77.4	108.1	175.3	177.9	0	0	0	0	110	V163 K164 F168 V181 I203 I208	V163-V211 HydrophobicContact CG1-CB 4.19Å; K164-V211 VanDerWaalsContact CG-O 3.25Å; K164-V211 WeakPolarHBondContact CG-O 3.48Å; F168-V211 HydrophobicContact CE2-CG1 4.38Å; F168-V211 HydrophobicContact CE2-CG2 4.04Å; F168-V211 HydrophobicContact CZ-CG2 4.21Å; V181-V211 HydrophobicContact CG2-CG2 3.97Å; I203-V211 HydrophobicContact CD1-CG2 3.92Å; I208-V211 WeakPolarHBondContact O-CB 3.47Å; I208-V211 WeakPolarHBondContact O-CG2 3.38Å; I208-V211 PolarHBondContact O-N 2.87Å
212	I	75.8	Confident	72.2	Confident	50 Å²	50	56.1 Å²	56.1	26%	0.256	32%	0.315	S	S	.	.			trans	-90.6	-39.2	175.8	-53.6	173.7	0	0	0	111.3	K210 Q291 M294 A295 L298	K210-I212 PolarHBondContact O-N 3Å; I212-Q291 HydrophobicContact CD1-CB 4.49Å; I212-Q291 VanDerWaalsContact CD1-O 3.26Å; I212-Q291 WeakPolarHBondContact CD1-O 3.14Å; I212-M294 HydrophobicContact CD1-CB 3.54Å; I212-A295 HydrophobicContact CD1-CB 4.01Å; I212-A295 HydrophobicContact CG1-CB 4.15Å; I212-L298 HydrophobicContact CD1-CD1 4.3Å; I212-L298 HydrophobicContact CG2-CD1 4.36Å
213	A	75.9	Confident	70	Confident	15 Å²	15	65.5 Å²	65.5	12%	0.124	36%	0.356	C	S	.	.	S	Bend	trans	-61.5	136.7	-175.7	0	0	0	0	0	111.4	K164 H166 A284 L286	K164-A213 WeakPolarHBondContact CB-O 3.03Å; H166-A213 PolarHBondContact NE2-O 2.9Å; A213-A284 HydrophobicContact CB-CB 3.73Å; A213-L286 HydrophobicContact CB-CD1 3.87Å
214	K	78.6	Confident	67.8	Low	107 Å²	107	72.6 Å²	72.6	47%	0.465	39%	0.389	S	S	.	.			trans	-75.7	144	166.9	-69.5	-173.4	-176.6	-179.8	0	110	K164 T216 H228	K164-K214 CarbonylContact O-C 3.58Å; K164-K214 VanDerWaalsContact O-CA 3.28Å; K164-K214 WeakPolarHBondContact O-CA 3.44Å; K214-T216 PolarHBondContact O-N 3.26Å; K214-T216 VanDerWaalsContact O-N 3.14Å; K214-H228 PolarHBondContact NZ-O 3.31Å
215	C	79.3	Confident	65.8	Low	8 Å²	8	75.3 Å²	75.3	5%	0.054	41%	0.407	C	S	.	.			trans	-64.9	114.8	176.2	-173.5	0	0	0	0	111.5	K164 C165 H166 Q198 G217 S218	K164-C215 PolarHBondContact O-N 2.83Å; C165-C215 VanDerWaalsContact C-CB 3.45Å; C165-C215 HydrophobicContact CB-CB 4.07Å; C165-C215 WeakPolarHBondContact O-CB 3.48Å; H166-C215 HydrophobicContact CB-CB 4.24Å; H166-C215 PolarHBondContact CD2-N 2.9Å; H166-C215 WeakPolarHBondContact NE2-CA 3.37Å; H166-C215 PolarHBondContact NE2-N 3.4Å; Q198-C215 PolarHBondContact OE1-SG 2.95Å; C215-G217 PolarHBondContact O-N 2.65Å; C215-G217 PolarHBondContact SG-N 3.29Å; C215-G217 VanDerWaalsContact SG-N 3.4Å; C215-S218 VanDerWaalsContact CB-OG 3.26Å; C215-S218 WeakPolarHBondContact CB-OG 3.42Å; C215-S218 PolarHBondContact O-N 3.4Å; C215-S218 PolarHBondContact O-OG 3.41Å; C215-S218 PolarHBondContact SG-OG 2.97Å
216	T	76.3	Confident	64	Low	51 Å²	51	79.1 Å²	79.1	31%	0.313	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-66.2	-22	172.4	51.6	0	0	0	0	113.1	K214 K282	K214-T216 PolarHBondContact O-N 3.26Å; K214-T216 VanDerWaalsContact O-N 3.14Å; T216-K282 VanDerWaalsContact OG1-C 3.29Å; T216-K282 WeakPolarHBondContact OG1-CA 3.41Å; T216-K282 PolarHBondContact OG1-O 2.84Å
217	G	63.3	Low	62.4	Low	34 Å²	34	78.2 Å²	78.2	35%	0.351	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-75.7	-18.8	177.4	0	0	0	0	0	114.5	C215	C215-G217 PolarHBondContact O-N 2.65Å; C215-G217 PolarHBondContact SG-N 3.29Å; C215-G217 VanDerWaalsContact SG-N 3.4Å
218	S	58.3	Low	60.5	Low	26 Å²	26	85.2 Å²	85.2	18%	0.182	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-85	-10.8	179.9	-33.9	0	0	0	0	113.3	C165 Q198 C215 V220 N221	C165-S218 PolarHBondContact O-OG 3Å; Q198-S218 VanDerWaalsContact OE1-CA 3.31Å; Q198-S218 VanDerWaalsContact OE1-N 3.14Å; Q198-S218 PolarHBondContact OE1-OG 3.09Å; C215-S218 VanDerWaalsContact CB-OG 3.26Å; C215-S218 WeakPolarHBondContact CB-OG 3.42Å; C215-S218 PolarHBondContact O-N 3.4Å; C215-S218 PolarHBondContact O-OG 3.41Å; C215-S218 PolarHBondContact SG-OG 2.97Å; S218-V220 PolarHBondContact O-N 3.16Å; S218-N221 PolarHBondContact O-N 3.37Å
219	A	47.3	Very low	58.7	Low	81 Å²	81	91.2 Å²	91.2	67%	0.669	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	15.2	-165.9	0	0	0	0	0	115.5
220	V	49	Very low	57.2	Low	130 Å²	130	92 Å²	92	79%	0.788	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-26.4	176.4	-171.9	0	0	0	0	111.9	S218	S218-V220 PolarHBondContact O-N 3.16Å
221	N	42.6	Very low	55.5	Low	141 Å²	141	98.5 Å²	98.5	75%	0.754	51%	0.508	S	S	*	.	S	Bend	trans	-126.7	82.4	-172.2	-72.8	-11	0	0	0	113.6	S218	S218-N221 PolarHBondContact O-N 3.37Å
222	S	45	Very low	53.9	Low	58 Å²	58	104.8 Å²	104.8	41%	0.406	54%	0.535	S	S	.	.			trans	156.1	144.5	133.8	74.7	0	0	0	0	113	E224 T225	S222-E224 PolarHBondContact O-N 2.97Å; S222-T225 PolarHBondContact O-N 2.86Å; S222-T225 PolarHBondContact O-OG1 2.97Å
223	K	44.2	Very low	52.7	Low	197 Å²	197	109.2 Å²	109.2	86%	0.857	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-66	-20.5	176.1	-73	178.6	175.2	176.9	0	113.3	T225 M226	K223-T225 PolarHBondContact O-N 2.94Å; K223-M226 PolarHBondContact O-N 3.2Å
224	E	43.8	Very low	51.9	Low	149 Å²	149	112.1 Å²	112.1	70%	0.696	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-63.9	-24.6	-179.9	-63.5	176.6	130.2	0	0	113.2	S222 M226 I227	S222-E224 PolarHBondContact O-N 2.97Å; E224-M226 PolarHBondContact O-N 3.34Å; E224-M226 VanDerWaalsContact O-N 3.11Å; E224-I227 PolarHBondContact O-N 3.36Å
225	T	42.6	Very low	51.2	Low	71 Å²	71	112.4 Å²	112.4	44%	0.436	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	-63.7	-16.2	178.2	57.4	0	0	0	0	114.2	S222 K223	S222-T225 PolarHBondContact O-N 2.86Å; S222-T225 PolarHBondContact O-OG1 2.97Å; K223-T225 PolarHBondContact O-N 2.94Å
226	M	43.7	Very low	51.2	Low	145 Å²	145	117.4 Å²	117.4	71%	0.714	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-77.7	-23.5	178.2	-68	-160.3	171.1	0	0	114.3	K223 E224	K223-M226 PolarHBondContact O-N 3.2Å; E224-M226 PolarHBondContact O-N 3.34Å; E224-M226 VanDerWaalsContact O-N 3.11Å
227	I	45.1	Very low	51.5	Low	142 Å²	142	119.1 Å²	119.1	73%	0.728	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-36.6	-172.6	-60.4	175.2	0	0	0	111.5	E224 K229	E224-I227 PolarHBondContact O-N 3.36Å; I227-K229 PolarHBondContact O-N 2.81Å
228	H	38.8	Very low	52.6	Low	154 Å²	154	118.9 Å²	118.9	71%	0.713	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	44.9	174	-72.6	-59.6	0	0	0	113.7	K214	K214-H228 PolarHBondContact NZ-O 3.31Å
229	K	44.1	Very low	54.2	Low	135 Å²	135	125 Å²	125	59%	0.587	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	1.3	-177.9	-136.4	174.1	-173.3	-179.3	0	113.6	I227 K233	I227-K229 PolarHBondContact O-N 2.81Å; K229-K233 WeakPolarHBondContact O-CE 3.26Å; K229-K233 VanDerWaalsContact O-CG 3.3Å; K229-K233 WeakPolarHBondContact O-CG 3.49Å
230	E	46.2	Very low	56.4	Low	157 Å²	157	122.5 Å²	122.5	73%	0.734	59%	0.59	S	S	*	*			trans	-126.3	98.1	-166.5	-55.3	-157.8	142.4	0	0	114	K233	E230-K233 IonicContact OE1-NZ 3.46Å
231	R	44.6	Very low	58.5	Low	210 Å²	210	122 Å²	122	79%	0.792	58%	0.577	S	S	*	*	S	Bend	trans	-172.1	-28	133.7	-112.2	178.6	177.5	171.9	0.8	113.2
232	F	48.5	Very low	61	Low	139 Å²	139	119.1 Å²	119.1	61%	0.61	57%	0.565	S	S	*	*			trans	-138.2	77.8	176.2	-56.5	-76.2	0	0	0	110.6	I234	F232-I234 PolarHBondContact O-N 2.74Å
233	K	50.5	Low	63.2	Low	144 Å²	144	121.2 Å²	121.2	63%	0.626	57%	0.565	S	S	*	*			trans	-74.3	72.8	177.1	-70.4	178.6	-174.5	164.2	0	110.8	K229 E230 D235	K229-K233 WeakPolarHBondContact O-CE 3.26Å; K229-K233 VanDerWaalsContact O-CG 3.3Å; K229-K233 WeakPolarHBondContact O-CG 3.49Å; E230-K233 IonicContact OE1-NZ 3.46Å; K233-D235 PolarHBondContact O-N 3.21Å
234	I	57.8	Low	65.4	Low	75 Å²	75	116.1 Å²	116.1	39%	0.385	55%	0.547	S	S	.	.			trans	-83.4	95.6	165.2	-53.1	178.8	0	0	0	107.2	F232 L286 V289 M294	F232-I234 PolarHBondContact O-N 2.74Å; I234-L286 HydrophobicContact CB-CD2 4.09Å; I234-L286 HydrophobicContact CG2-CD2 3.81Å; I234-V289 HydrophobicContact CG2-CG2 3.86Å; I234-M294 HydrophobicContact CD1-CE 3.88Å
235	D	65.1	Low	67.5	Low	114 Å²	114	110 Å²	110	61%	0.61	52%	0.518	S	S	*	.			trans	-123.5	72.1	177.5	-171.5	18.2	0	0	0	108.3	K233 P237 N285	K233-D235 PolarHBondContact O-N 3.21Å; D235-P237 WeakPolarHBondContact O-CD 3.49Å; D235-N285 WeakPolarHBondContact OD1-CB 3.16Å; D235-N285 PolarHBondContact OD1-ND2 2.99Å
236	M	78.3	Confident	69.6	Low	112 Å²	112	116.9 Å²	116.9	55%	0.552	54%	0.541	S	S	*	.	B	Isolated β-bridge	trans	-106.1	99	-178	-164.3	168.4	-79.2	0	0	109.3	N285 L286 C287	M236-N285 PolarHBondContact N-O 3.47Å; M236-N285 CarbonylContact O-C 3.57Å; M236-N285 WeakPolarHBondContact O-CA 3.36Å; M236-L286 PolarHBondContact O-N 3.25Å; M236-C287 HydrophobicContact CB-CB 4.35Å; M236-C287 HydrophobicContact CG-CB 4.06Å; M236-C287 WeakPolarHBondContact O-CB 3.41Å; M236-C287 PolarHBondContact O-N 3.21Å
237	P	82.3	Confident	71.4	Confident	87 Å²	87	113.8 Å²	113.8	57%	0.565	53%	0.534	S	S	*	.			trans	-70.6	147.3	-173	28.6	-35.6	0	0	0	112	D235	D235-P237 WeakPolarHBondContact O-CD 3.49Å
238	H	86.5	Confident	73.2	Confident	30 Å²	30	112.1 Å²	112.1	14%	0.139	53%	0.532	C	S	.	.			trans	-81.2	123.3	177.3	-73.4	-101.5	0	0	0	111.9	F240 C268 C271 M273 A284 C287	H238-F240 HydrophobicContact CB-CD2 3.58Å; H238-F240 HydrophobicContact CB-CE1 4.35Å; H238-F240 HydrophobicContact CB-CE2 3.22Å; H238-F240 HydrophobicContact CB-CG 4.31Å; H238-F240 HydrophobicContact CB-CZ 3.65Å; H238-F240 AromaticContact CG-CE2 3.84Å; H238-F240 AromaticContact CG-CZ 3.86Å; H238-F240 AromaticContact ND1-CZ 3.98Å; H238-F240 PolarHBondContact O-N 3.31Å; H238-F240 VanDerWaalsContact O-N 3.09Å; H238-C268 HydrophobicContact CB-CB 4.44Å; H238-C271 PolarHBondContact CE1-SG 2.97Å; H238-C271 PolarHBondContact ND1-SG 3.13Å; H238-M273 PolarHBondContact CE1-SD 3.36Å; H238-A284 PolarHBondContact CD2-O 3.19Å; H238-A284 PolarHBondContact NE2-O 2.93Å; H238-C287 PolarHBondContact NE2-N 2.83Å
239	R	91.8	Very high	75.6	Confident	154 Å²	154	105.9 Å²	105.9	58%	0.581	51%	0.505	S	S	*	.			trans	-77.8	87.2	169.4	-170.8	-172.4	-63	-108	-4.8	110.4	C268 E269 E270	R239-C268 CarbonylContact O-C 3.54Å; R239-C268 VanDerWaalsContact O-CA 3.24Å; R239-C268 WeakPolarHBondContact O-CA 3.36Å; R239-E269 WeakPolarHBondContact CD-OE2 3.45Å; R239-E269 WeakPolarHBondContact CG-OE2 3.44Å; R239-E269 PolarHBondContact O-N 2.72Å; R239-E270 HydrophobicContact CB-CG 4.31Å; R239-E270 IonicContact CZ-OE1 3.88Å; R239-E270 IonicContact NE-OE1 3.83Å; R239-E270 PolarHBondContact NE-OE1 3.48Å; R239-E270 VanDerWaalsContact NE-OE1 3.08Å
240	F	94.9	Very high	77.8	Confident	29 Å²	29	102 Å²	102	13%	0.127	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	132.8	-179.1	-77	-64.1	0	0	0	113	H238 L266 C268 M273 V275 Q280 V283	H238-F240 HydrophobicContact CB-CD2 3.58Å; H238-F240 HydrophobicContact CB-CE1 4.35Å; H238-F240 HydrophobicContact CB-CE2 3.22Å; H238-F240 HydrophobicContact CB-CG 4.31Å; H238-F240 HydrophobicContact CB-CZ 3.65Å; H238-F240 AromaticContact CG-CE2 3.84Å; H238-F240 AromaticContact CG-CZ 3.86Å; H238-F240 AromaticContact ND1-CZ 3.98Å; H238-F240 PolarHBondContact O-N 3.31Å; H238-F240 VanDerWaalsContact O-N 3.09Å; F240-L266 HydrophobicContact CB-CB 4.1Å; F240-L266 HydrophobicContact CB-CD1 4.25Å; F240-L266 HydrophobicContact CD1-CB 3.92Å; F240-L266 HydrophobicContact CG-CB 4.24Å; F240-C268 HydrophobicContact CD1-CB 3.82Å; F240-C268 HydrophobicContact CE1-CB 3.72Å; F240-C268 HydrophobicContact CZ-CB 4.44Å; F240-M273 HydrophobicContact CE1-CB 4.42Å; F240-M273 HydrophobicContact CZ-SD 4.27Å; F240-V275 HydrophobicContact CD1-CG2 3.89Å; F240-V275 HydrophobicContact CE1-CB 4.37Å; F240-V275 HydrophobicContact CE1-CG1 4.06Å; F240-V275 HydrophobicContact CE1-CG2 3.44Å; F240-V275 VanDerWaalsContact CE1-CG2 3.44Å; F240-V275 HydrophobicContact CE2-CG2 4.14Å; F240-V275 HydrophobicContact CG-CG2 4.46Å; F240-V275 HydrophobicContact CZ-CB 4.43Å; F240-V275 HydrophobicContact CZ-CG1 3.92Å; F240-V275 HydrophobicContact CZ-CG2 3.59Å; F240-Q280 HydrophobicContact CD2-CG 3.82Å; F240-Q280 HydrophobicContact CE2-CG 4.43Å; F240-Q280 HydrophobicContact CG-CG 4.41Å; F240-V283 HydrophobicContact CE2-CG1 4.38Å; F240-V283 HydrophobicContact CZ-CG1 4.34Å; F240-V283 HydrophobicContact CZ-CG2 4.48Å
241	K	92.9	Very high	80	Confident	118 Å²	118	94.5 Å²	94.5	51%	0.513	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	152.7	168.1	-74.3	-170.8	-177.7	152.9	0	111.7	Y243 L266 K267 E269	K241-Y243 PolarHBondContact O-N 3.44Å; K241-L266 CarbonylContact O-C 3.52Å; K241-L266 VanDerWaalsContact O-CA 3.25Å; K241-L266 WeakPolarHBondContact O-CA 3.49Å; K241-K267 PolarHBondContact N-O 3.46Å; K241-K267 PolarHBondContact O-N 2.63Å; K241-E269 VanDerWaalsContact CD-CD 3.46Å; K241-E269 HydrophobicContact CD-CG 4.22Å; K241-E269 WeakPolarHBondContact CD-OE1 3.32Å; K241-E269 WeakPolarHBondContact CD-OE2 3.41Å; K241-E269 VanDerWaalsContact CE-CD 3.4Å; K241-E269 WeakPolarHBondContact CE-OE1 3.15Å; K241-E269 WeakPolarHBondContact CE-OE2 3.44Å; K241-E269 HydrophobicContact CG-CG 4.29Å; K241-E269 IonicContact NZ-OE1 3.6Å; K241-E269 PolarHBondContact NZ-OE1 3.38Å; K241-E269 IonicContact NZ-OE2 2.78Å; K241-E269 PolarHBondContact NZ-OE2 2.96Å
242	V	94	Very high	82.2	Confident	81 Å²	81	87 Å²	87	49%	0.491	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	131.3	174.2	-173.4	0	0	0	0	109.8	K263 L266 H277	V242-K263 HydrophobicContact CG1-CB 3.64Å; V242-K263 HydrophobicContact CG1-CD 4.13Å; V242-K263 HydrophobicContact CG1-CG 3.75Å; V242-L266 HydrophobicContact CB-CD2 4.49Å; V242-L266 HydrophobicContact CG2-CD2 3.92Å; V242-H277 VanDerWaalsContact CB-CE1 3.47Å; V242-H277 WeakPolarHBondContact CB-CE1 3.34Å; V242-H277 WeakPolarHBondContact CG1-CE1 3.33Å; V242-H277 WeakPolarHBondContact CG2-CE1 3.4Å
243	Y	92.3	Very high	84.2	Confident	102 Å²	102	81 Å²	81	40%	0.4	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146.3	-173.1	-164.8	-99.9	0	0	0	112.5	K241 Y245 K263 G265 K267	K241-Y243 PolarHBondContact O-N 3.44Å; Y243-Y245 AromaticContact CD1-CD1 3.76Å; Y243-Y245 HydrophobicContact CD1-CD1 3.76Å; Y243-Y245 AromaticContact CD1-CD2 3.95Å; Y243-Y245 HydrophobicContact CD1-CD2 3.95Å; Y243-Y245 AromaticContact CD1-CE1 3.66Å; Y243-Y245 HydrophobicContact CD1-CE1 3.66Å; Y243-Y245 AromaticContact CD1-CE2 3.88Å; Y243-Y245 HydrophobicContact CD1-CE2 3.88Å; Y243-Y245 AromaticContact CD1-CG 3.91Å; Y243-Y245 HydrophobicContact CD1-CG 3.91Å; Y243-Y245 AromaticContact CD1-CZ 3.74Å; Y243-Y245 HydrophobicContact CE1-CD1 4.06Å; Y243-Y245 HydrophobicContact CE1-CE1 4.18Å; Y243-Y245 HydrophobicContact CE1-CG 4.42Å; Y243-Y245 HydrophobicContact CG-CE2 4.42Å; Y243-K263 WeakPolarHBondContact O-CA 3.42Å; Y243-G265 PolarHBondContact N-O 2.85Å; Y243-K267 HydrophobicContact CD1-CB 4.39Å; Y243-K267 HydrophobicContact CD1-CD 4.22Å; Y243-K267 HydrophobicContact CD2-CB 4.19Å; Y243-K267 HydrophobicContact CD2-CD 4.2Å; Y243-K267 HydrophobicContact CE1-CD 4.25Å; Y243-K267 HydrophobicContact CE2-CD 4.24Å; Y243-K267 HydrophobicContact CG-CB 3.84Å; Y243-K267 HydrophobicContact CG-CD 4.19Å
244	N	89.3	Confident	86	Confident	91 Å²	91	74.5 Å²	74.5	49%	0.487	37%	0.374	S	S	.	.			trans	-100.2	106.4	174.6	-67.8	-20.9	0	0	0	108.8	K263	N244-K263 WeakPolarHBondContact OD1-CA 3.04Å; N244-K263 WeakPolarHBondContact OD1-CG 3.31Å; N244-K263 PolarHBondContact OD1-N 3.22Å
245	Y	89	Confident	87.4	Confident	21 Å²	21	70.9 Å²	70.9	8%	0.082	36%	0.355	C	S	.	.			trans	-82.2	132.3	179	-65	-87.9	0	0	0	110.5	Y243 T249 L258 Q264 L266 K267 N274	Y243-Y245 AromaticContact CD1-CD1 3.76Å; Y243-Y245 HydrophobicContact CD1-CD1 3.76Å; Y243-Y245 AromaticContact CD1-CD2 3.95Å; Y243-Y245 HydrophobicContact CD1-CD2 3.95Å; Y243-Y245 AromaticContact CD1-CE1 3.66Å; Y243-Y245 HydrophobicContact CD1-CE1 3.66Å; Y243-Y245 AromaticContact CD1-CE2 3.88Å; Y243-Y245 HydrophobicContact CD1-CE2 3.88Å; Y243-Y245 AromaticContact CD1-CG 3.91Å; Y243-Y245 HydrophobicContact CD1-CG 3.91Å; Y243-Y245 AromaticContact CD1-CZ 3.74Å; Y243-Y245 HydrophobicContact CE1-CD1 4.06Å; Y243-Y245 HydrophobicContact CE1-CE1 4.18Å; Y243-Y245 HydrophobicContact CE1-CG 4.42Å; Y243-Y245 HydrophobicContact CG-CE2 4.42Å; Y245-T249 HydrophobicContact CD1-CG2 3.69Å; Y245-T249 WeakPolarHBondContact CD1-OG1 3.41Å; Y245-T249 HydrophobicContact CE1-CG2 3.69Å; Y245-T249 HydrophobicContact CG-CG2 4.49Å; Y245-L258 HydrophobicContact CD2-CD1 4.13Å; Y245-L258 HydrophobicContact CE1-CD1 4.32Å; Y245-L258 HydrophobicContact CE2-CD1 3.64Å; Y245-Q264 HydrophobicContact CD2-CB 4.15Å; Y245-Q264 PolarHBondContact O-NE2 2.89Å; Y245-L266 PolarHBondContact OH-O 2.81Å; Y245-L266 VanDerWaalsContact OH-O 3.12Å; Y245-K267 WeakPolarHBondContact OH-CB 3.22Å; Y245-N274 HydrophobicContact CE1-CB 4.19Å; Y245-N274 VanDerWaalsContact CE1-OD1 3.24Å; Y245-N274 WeakPolarHBondContact CE1-OD1 3.48Å; Y245-N274 WeakPolarHBondContact OH-CB 3.45Å; Y245-N274 PolarHBondContact OH-OD1 3.29Å
246	K	85.4	Confident	88.4	Confident	215 Å²	215	66.9 Å²	66.9	94%	0.935	34%	0.335	S	S	*	.	S	Bend	trans	-88.1	-4.7	179	-63.5	-171.8	178.8	-174.8	0	113.8
247	S	82.8	Confident	88.8	Confident	79 Å²	79	63.1 Å²	63.1	55%	0.552	32%	0.317	S	S	*	.	S	Bend	trans	-148.6	158.3	-178.6	56.3	0	0	0	0	110.6	T249	S247-T249 PolarHBondContact O-N 3.46Å; S247-T249 PolarHBondContact O-OG1 2.67Å
248	P	82.6	Confident	88.9	Confident	107 Å²	107	59.4 Å²	59.4	70%	0.695	29%	0.292	S	S	*	.			trans	-52.7	113.3	175.4	-27.2	36.1	0	0	0	111.3	L257	P248-L257 HydrophobicContact CB-CD1 3.89Å
249	T	88.1	Confident	88.5	Confident	23 Å²	23	66.2 Å²	66.2	14%	0.141	32%	0.317	C	S	.	.			trans	-124.5	136.5	-174.2	-57.7	0	0	0	0	109.8	Y245 S247 L258 N274	Y245-T249 HydrophobicContact CD1-CG2 3.69Å; Y245-T249 WeakPolarHBondContact CD1-OG1 3.41Å; Y245-T249 HydrophobicContact CE1-CG2 3.69Å; Y245-T249 HydrophobicContact CG-CG2 4.49Å; S247-T249 PolarHBondContact O-N 3.46Å; S247-T249 PolarHBondContact O-OG1 2.67Å; T249-L258 HydrophobicContact CG2-CD1 4Å; T249-L258 VanDerWaalsContact O-CB 3.24Å; T249-L258 WeakPolarHBondContact O-CB 3.42Å; T249-L258 VanDerWaalsContact O-CG 3.3Å; T249-L258 WeakPolarHBondContact O-CG 3.24Å; T249-L258 PolarHBondContact O-N 3.03Å; T249-N274 HydrophobicContact CG2-CB 4Å
250	F	90.7	Very high	87.5	Confident	53 Å²	53	61.2 Å²	61.2	23%	0.232	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-100	146.5	-175.6	-63.4	-95	0	0	0	111.8	P176 F178 Q252 G255 L257	P176-F250 HydrophobicContact CB-CE1 4.01Å; P176-F250 HydrophobicContact CB-CZ 4.24Å; P176-F250 VanDerWaalsContact O-CE1 3.25Å; P176-F250 WeakPolarHBondContact O-CE1 3.44Å; F178-F250 HydrophobicContact CD2-CB 3.85Å; F178-F250 AromaticContact CD2-CD1 3.75Å; F178-F250 HydrophobicContact CD2-CD1 3.75Å; F178-F250 AromaticContact CD2-CD2 3.91Å; F178-F250 HydrophobicContact CD2-CD2 3.91Å; F178-F250 HydrophobicContact CD2-CE1 4.3Å; F178-F250 HydrophobicContact CD2-CE2 4.45Å; F178-F250 AromaticContact CD2-CG 3.54Å; F178-F250 HydrophobicContact CD2-CG 3.54Å; F178-F250 HydrophobicContact CE2-CB 4.37Å; F178-F250 AromaticContact CE2-CD1 3.81Å; F178-F250 HydrophobicContact CE2-CD1 3.81Å; F178-F250 AromaticContact CE2-CD2 3.53Å; F178-F250 HydrophobicContact CE2-CD2 3.53Å; F178-F250 AromaticContact CE2-CE1 3.94Å; F178-F250 HydrophobicContact CE2-CE1 3.94Å; F178-F250 AromaticContact CE2-CE2 3.67Å; F178-F250 HydrophobicContact CE2-CE2 3.67Å; F178-F250 AromaticContact CE2-CG 3.62Å; F178-F250 HydrophobicContact CE2-CG 3.62Å; F178-F250 AromaticContact CE2-CZ 3.87Å; F178-F250 HydrophobicContact CE2-CZ 3.87Å; F178-F250 HydrophobicContact CZ-CD2 4.34Å; F178-F250 HydrophobicContact CZ-CE2 4.36Å; F250-Q252 PolarHBondContact O-N 2.98Å; F250-G255 WeakPolarHBondContact CD1-O 3.21Å; F250-L257 HydrophobicContact CD1-CB 4.12Å; F250-L257 HydrophobicContact CD1-CD1 4.24Å; F250-L257 HydrophobicContact CD2-CD1 4.4Å; F250-L257 HydrophobicContact CE1-CB 3.93Å; F250-L257 HydrophobicContact CE1-CD1 3.91Å; F250-L257 HydrophobicContact CE2-CD1 4.09Å; F250-L257 HydrophobicContact CG-CD1 4.47Å; F250-L257 HydrophobicContact CZ-CD1 3.83Å
251	C	92.2	Very high	86.5	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.007	35%	0.353	C	S	.	.			trans	-71	120.3	173.4	175.6	0	0	0	0	109.9	H253 G255 T256 L258 N274 H276	C251-H253 PolarHBondContact O-N 2.81Å; C251-G255 CarbonylContact O-C 3.6Å; C251-G255 WeakPolarHBondContact O-CA 3.46Å; C251-G255 PolarHBondContact O-N 2.86Å; C251-T256 WeakPolarHBondContact CB-O 3.48Å; C251-T256 PolarHBondContact N-O 3.03Å; C251-L258 HydrophobicContact CB-CD2 4.03Å; C251-N274 CarbonylContact C-O 3.53Å; C251-N274 WeakPolarHBondContact CA-O 3.37Å; C251-H276 WeakPolarHBondContact CB-CE1 3.28Å; C251-H276 VanDerWaalsContact CB-ND1 3.3Å; C251-H276 WeakPolarHBondContact CB-ND1 3.4Å; C251-H276 PolarHBondContact SG-ND1 3.36Å
252	Q	91.2	Very high	85.8	Confident	51 Å²	51	65.8 Å²	65.8	24%	0.238	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	10.7	-177.6	-67.2	173.1	-60	0	0	113.9	S180 F250 M273 N274	S180-Q252 WeakPolarHBondContact CA-O 3.45Å; S180-Q252 WeakPolarHBondContact CB-O 3.37Å; F250-Q252 PolarHBondContact O-N 2.98Å; Q252-M273 HydrophobicContact CB-CE 3.88Å; Q252-M273 HydrophobicContact CB-CG 4.17Å; Q252-M273 VanDerWaalsContact OE1-CA 3.23Å; Q252-N274 PolarHBondContact N-O 3.12Å
253	H	90.8	Very high	85.3	Confident	14 Å²	14	68.7 Å²	68.7	7%	0.065	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-63.4	174.6	177.3	80.6	0	0	0	111.8	C199 A201 A202 C251 K282 V283	C199-H253 PolarHBondContact O-NE2 3.24Å; A201-H253 WeakPolarHBondContact CA-O 3.29Å; A202-H253 PolarHBondContact N-O 3.16Å; C251-H253 PolarHBondContact O-N 2.81Å; H253-K282 PolarHBondContact CE1-O 2.97Å; H253-V283 HydrophobicContact CB-CG2 4Å
254	C	88.4	Confident	85.2	Confident	7 Å²	7	64.8 Å²	64.8	5%	0.047	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-1.5	177.8	65.1	0	0	0	0	114	N200 A202 T256 H276	N200-C254 HydrophobicContact CB-CB 4.44Å; N200-C254 WeakPolarHBondContact O-CA 3.27Å; N200-C254 WeakPolarHBondContact O-CB 3.31Å; A202-C254 WeakPolarHBondContact CB-O 3.42Å; C254-T256 PolarHBondContact O-N 2.85Å; C254-T256 VanDerWaalsContact O-N 3.14Å; C254-T256 PolarHBondContact SG-OG1 3.49Å; C254-H276 VanDerWaalsContact SG-CE1 3.51Å; C254-H276 PolarHBondContact SG-ND1 2.78Å; C254-H276 VanDerWaalsContact SG-ND1 3.36Å
255	G	86.8	Confident	85.3	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.321	C	S	.	.			trans	76.6	-15.4	177.3	0	0	0	0	0	116.1	T177 F178 F250 C251	T177-G255 WeakPolarHBondContact CA-O 3.39Å; F178-G255 PolarHBondContact N-O 2.82Å; F178-G255 VanDerWaalsContact N-O 3.1Å; F178-G255 WeakPolarHBondContact O-CA 3.35Å; F250-G255 WeakPolarHBondContact CD1-O 3.21Å; C251-G255 CarbonylContact O-C 3.6Å; C251-G255 WeakPolarHBondContact O-CA 3.46Å; C251-G255 PolarHBondContact O-N 2.86Å
256	T	86.4	Confident	85.6	Confident	29 Å²	29	59.7 Å²	59.7	18%	0.178	32%	0.318	C	S	.	.			trans	-87.5	161.7	-172.1	69.9	0	0	0	0	114.3	C251 C254 H276	C251-T256 WeakPolarHBondContact CB-O 3.48Å; C251-T256 PolarHBondContact N-O 3.03Å; C254-T256 PolarHBondContact O-N 2.85Å; C254-T256 VanDerWaalsContact O-N 3.14Å; C254-T256 PolarHBondContact SG-OG1 3.49Å; T256-H276 PolarHBondContact O-CE1 3.26Å; T256-H276 PolarHBondContact OG1-CE1 3.26Å
257	L	86.1	Confident	86	Confident	33 Å²	33	52.1 Å²	52.1	17%	0.173	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-61.1	141	-174.4	-171.3	68.4	0	0	0	113.6	P248 F250 W259 H276	P248-L257 HydrophobicContact CB-CD1 3.89Å; F250-L257 HydrophobicContact CD1-CB 4.12Å; F250-L257 HydrophobicContact CD1-CD1 4.24Å; F250-L257 HydrophobicContact CD2-CD1 4.4Å; F250-L257 HydrophobicContact CE1-CB 3.93Å; F250-L257 HydrophobicContact CE1-CD1 3.91Å; F250-L257 HydrophobicContact CE2-CD1 4.09Å; F250-L257 HydrophobicContact CG-CD1 4.47Å; F250-L257 HydrophobicContact CZ-CD1 3.83Å; L257-W259 HydrophobicContact CD2-CD2 4.1Å; L257-W259 HydrophobicContact CD2-CE3 4.24Å; L257-W259 HydrophobicContact CD2-CH2 4.1Å; L257-W259 HydrophobicContact CD2-CZ2 3.94Å; L257-W259 HydrophobicContact CD2-CZ3 4.25Å; L257-W259 PolarHBondContact O-N 3.01Å; L257-H276 PolarHBondContact O-NE2 3.24Å
258	L	85.8	Confident	86.6	Confident	10 Å²	10	48.4 Å²	48.4	5%	0.052	26%	0.259	C	S	.	.			trans	-81.5	99.4	168.9	-60.3	173.9	0	0	0	109.1	Y245 T249 C251 Q264 N274 H276	Y245-L258 HydrophobicContact CD2-CD1 4.13Å; Y245-L258 HydrophobicContact CE1-CD1 4.32Å; Y245-L258 HydrophobicContact CE2-CD1 3.64Å; T249-L258 HydrophobicContact CG2-CD1 4Å; T249-L258 VanDerWaalsContact O-CB 3.24Å; T249-L258 WeakPolarHBondContact O-CB 3.42Å; T249-L258 VanDerWaalsContact O-CG 3.3Å; T249-L258 WeakPolarHBondContact O-CG 3.24Å; T249-L258 PolarHBondContact O-N 3.03Å; C251-L258 HydrophobicContact CB-CD2 4.03Å; L258-Q264 HydrophobicContact CB-CB 4.02Å; L258-N274 HydrophobicContact CD1-CB 4.1Å; L258-H276 HydrophobicContact CD2-CB 4.33Å; L258-H276 VanDerWaalsContact CD2-CD2 3.47Å; L258-H276 WeakPolarHBondContact CD2-CD2 3.43Å
259	W	76.4	Confident	87	Confident	172 Å²	172	47.5 Å²	47.5	65%	0.652	25%	0.246	S	C	*	.			trans	-78.9	144.8	-175.1	-67.8	92.5	0	0	0	113.3	L257	L257-W259 HydrophobicContact CD2-CD2 4.1Å; L257-W259 HydrophobicContact CD2-CE3 4.24Å; L257-W259 HydrophobicContact CD2-CH2 4.1Å; L257-W259 HydrophobicContact CD2-CZ2 3.94Å; L257-W259 HydrophobicContact CD2-CZ3 4.25Å; L257-W259 PolarHBondContact O-N 3.01Å
260	G	71.6	Confident	87.1	Confident	50 Å²	50	52.4 Å²	52.4	52%	0.515	27%	0.267	S	S	.	.	S	Bend	trans	126.7	164.2	172.1	0	0	0	0	0	114.3	Q264	G260-Q264 VanDerWaalsContact C-CG 3.5Å; G260-Q264 WeakPolarHBondContact O-CG 3.2Å; G260-Q264 PolarHBondContact O-NE2 3.08Å
261	L	73.4	Confident	87	Confident	181 Å²	181	52.1 Å²	52.1	95%	0.948	27%	0.271	S	S	*	.	S	Bend	trans	-87.4	-23.6	176.9	-63	175.7	0	0	0	113.2	Q264	L261-Q264 PolarHBondContact O-NE2 2.89Å
262	A	78.5	Confident	86.9	Confident	62 Å²	62	54.9 Å²	54.9	51%	0.512	29%	0.29	S	S	.	.	S	Bend	trans	-149.4	157.9	175.2	0	0	0	0	0	110.2	Q264	A262-Q264 PolarHBondContact O-N 3.43Å; A262-Q264 VanDerWaalsContact O-N 3.13Å
263	K	83.8	Confident	86.9	Confident	141 Å²	141	53.9 Å²	53.9	61%	0.613	29%	0.286	S	S	*	.			trans	50.9	33.9	178.2	-59.6	-177.6	179.5	176.5	0	113.9	V242 Y243 N244 G265 H277	V242-K263 HydrophobicContact CG1-CB 3.64Å; V242-K263 HydrophobicContact CG1-CD 4.13Å; V242-K263 HydrophobicContact CG1-CG 3.75Å; Y243-K263 WeakPolarHBondContact O-CA 3.42Å; N244-K263 WeakPolarHBondContact OD1-CA 3.04Å; N244-K263 WeakPolarHBondContact OD1-CG 3.31Å; N244-K263 PolarHBondContact OD1-N 3.22Å; K263-G265 PolarHBondContact O-N 2.59Å; K263-H277 PolarHBondContact O-NE2 3.26Å
264	Q	89.2	Confident	87	Confident	20 Å²	20	54.5 Å²	54.5	9%	0.093	29%	0.289	C	S	.	.			trans	-60.8	-23.4	-169.6	-56.3	94	-27.8	0	0	113.9	Y245 L258 G260 L261 A262	Y245-Q264 HydrophobicContact CD2-CB 4.15Å; Y245-Q264 PolarHBondContact O-NE2 2.89Å; L258-Q264 HydrophobicContact CB-CB 4.02Å; G260-Q264 VanDerWaalsContact C-CG 3.5Å; G260-Q264 WeakPolarHBondContact O-CG 3.2Å; G260-Q264 PolarHBondContact O-NE2 3.08Å; L261-Q264 PolarHBondContact O-NE2 2.89Å; A262-Q264 PolarHBondContact O-N 3.43Å; A262-Q264 VanDerWaalsContact O-N 3.13Å
265	G	91.9	Very high	87.2	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	-162	-179.8	0	0	0	0	0	112.8	Y243 K263 H277	Y243-G265 PolarHBondContact N-O 2.85Å; K263-G265 PolarHBondContact O-N 2.59Å; G265-H277 WeakPolarHBondContact CA-NE2 3.37Å; G265-H277 PolarHBondContact N-NE2 2.7Å
266	L	94.9	Very high	87.5	Confident	6 Å²	6	55 Å²	55	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.9	-179.4	-60.2	170.4	0	0	0	109.7	F240 K241 V242 Y245 N274 V275 Q280	F240-L266 HydrophobicContact CB-CB 4.1Å; F240-L266 HydrophobicContact CB-CD1 4.25Å; F240-L266 HydrophobicContact CD1-CB 3.92Å; F240-L266 HydrophobicContact CG-CB 4.24Å; K241-L266 CarbonylContact O-C 3.52Å; K241-L266 VanDerWaalsContact O-CA 3.25Å; K241-L266 WeakPolarHBondContact O-CA 3.49Å; V242-L266 HydrophobicContact CB-CD2 4.49Å; V242-L266 HydrophobicContact CG2-CD2 3.92Å; Y245-L266 PolarHBondContact OH-O 2.81Å; Y245-L266 VanDerWaalsContact OH-O 3.12Å; L266-N274 WeakPolarHBondContact O-CA 3.4Å; L266-V275 HydrophobicContact CB-CG2 3.96Å; L266-V275 HydrophobicContact CD1-CG2 4.34Å; L266-V275 PolarHBondContact N-O 2.7Å; L266-V275 PolarHBondContact O-N 3.4Å; L266-Q280 HydrophobicContact CD1-CB 3.63Å; L266-Q280 HydrophobicContact CD1-CG 3.66Å
267	K	95.3	Very high	87.7	Confident	56 Å²	56	58 Å²	58	24%	0.243	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.5	168.8	-170.7	169	-178.8	-172.7	0	109.5	K241 Y243 Y245 S272 M273 N274	K241-K267 PolarHBondContact N-O 3.46Å; K241-K267 PolarHBondContact O-N 2.63Å; Y243-K267 HydrophobicContact CD1-CB 4.39Å; Y243-K267 HydrophobicContact CD1-CD 4.22Å; Y243-K267 HydrophobicContact CD2-CB 4.19Å; Y243-K267 HydrophobicContact CD2-CD 4.2Å; Y243-K267 HydrophobicContact CE1-CD 4.25Å; Y243-K267 HydrophobicContact CE2-CD 4.24Å; Y243-K267 HydrophobicContact CG-CB 3.84Å; Y243-K267 HydrophobicContact CG-CD 4.19Å; Y245-K267 WeakPolarHBondContact OH-CB 3.22Å; K267-S272 VanDerWaalsContact CE-CB 3.45Å; K267-S272 WeakPolarHBondContact CE-OG 3.23Å; K267-S272 PolarHBondContact NZ-OG 3.13Å; K267-M273 CarbonylContact C-O 3.56Å; K267-M273 WeakPolarHBondContact CA-O 3.42Å; K267-N274 WeakPolarHBondContact CG-OD1 3.44Å
268	C	93.7	Very high	87.8	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	129.4	171.4	-176.2	0	0	0	0	109.8	H238 R239 F240 S272 M273	H238-C268 HydrophobicContact CB-CB 4.44Å; R239-C268 CarbonylContact O-C 3.54Å; R239-C268 VanDerWaalsContact O-CA 3.24Å; R239-C268 WeakPolarHBondContact O-CA 3.36Å; F240-C268 HydrophobicContact CD1-CB 3.82Å; F240-C268 HydrophobicContact CE1-CB 3.72Å; F240-C268 HydrophobicContact CZ-CB 4.44Å; C268-S272 WeakPolarHBondContact O-CA 3.48Å; C268-S272 PolarHBondContact O-N 3.46Å; C268-M273 HydrophobicContact CB-CB 4.08Å; C268-M273 PolarHBondContact N-O 3.18Å
269	E	92.8	Very high	88	Confident	89 Å²	89	63.7 Å²	63.7	42%	0.416	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-41.2	-177.9	-60.8	-169.3	103.3	0	0	112	R239 K241	R239-E269 WeakPolarHBondContact CD-OE2 3.45Å; R239-E269 WeakPolarHBondContact CG-OE2 3.44Å; R239-E269 PolarHBondContact O-N 2.72Å; K241-E269 VanDerWaalsContact CD-CD 3.46Å; K241-E269 HydrophobicContact CD-CG 4.22Å; K241-E269 WeakPolarHBondContact CD-OE1 3.32Å; K241-E269 WeakPolarHBondContact CD-OE2 3.41Å; K241-E269 VanDerWaalsContact CE-CD 3.4Å; K241-E269 WeakPolarHBondContact CE-OE1 3.15Å; K241-E269 WeakPolarHBondContact CE-OE2 3.44Å; K241-E269 HydrophobicContact CG-CG 4.29Å; K241-E269 IonicContact NZ-OE1 3.6Å; K241-E269 PolarHBondContact NZ-OE1 3.38Å; K241-E269 IonicContact NZ-OE2 2.78Å; K241-E269 PolarHBondContact NZ-OE2 2.96Å
270	E	90.3	Very high	88.6	Confident	126 Å²	126	59.7 Å²	59.7	59%	0.589	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-53.6	-174.4	-44.7	-59.3	159.6	0	0	112.5	R239	R239-E270 HydrophobicContact CB-CG 4.31Å; R239-E270 IonicContact CZ-OE1 3.88Å; R239-E270 IonicContact NE-OE1 3.83Å; R239-E270 PolarHBondContact NE-OE1 3.48Å; R239-E270 VanDerWaalsContact NE-OE1 3.08Å
271	C	86.9	Confident	89.3	Confident	46 Å²	46	66.6 Å²	66.6	31%	0.311	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	6	-172.1	66.6	0	0	0	0	114.3	H238 M273 C287	H238-C271 PolarHBondContact CE1-SG 2.97Å; H238-C271 PolarHBondContact ND1-SG 3.13Å; C271-M273 PolarHBondContact O-N 3.21Å; C271-C287 PolarHBondContact SG-SG 3.43Å
272	S	90.1	Very high	90	Very high	59 Å²	59	61.2 Å²	61.2	41%	0.413	30%	0.3	S	S	.	.			trans	55.3	19.1	-176.1	-77.9	0	0	0	0	115.7	K267 C268 N274	K267-S272 VanDerWaalsContact CE-CB 3.45Å; K267-S272 WeakPolarHBondContact CE-OG 3.23Å; K267-S272 PolarHBondContact NZ-OG 3.13Å; C268-S272 WeakPolarHBondContact O-CA 3.48Å; C268-S272 PolarHBondContact O-N 3.46Å; S272-N274 PolarHBondContact O-N 3.14Å; S272-N274 PolarHBondContact O-OD1 3.49Å
273	M	90.9	Very high	90.3	Very high	31 Å²	31	58.8 Å²	58.8	15%	0.153	28%	0.278	C	S	.	.			trans	-64.5	133.3	178.1	-171.8	-177	-174.5	0	0	111.5	H238 F240 Q252 K267 C268 C271 V275 V283	H238-M273 PolarHBondContact CE1-SD 3.36Å; F240-M273 HydrophobicContact CE1-CB 4.42Å; F240-M273 HydrophobicContact CZ-SD 4.27Å; Q252-M273 HydrophobicContact CB-CE 3.88Å; Q252-M273 HydrophobicContact CB-CG 4.17Å; Q252-M273 VanDerWaalsContact OE1-CA 3.23Å; K267-M273 CarbonylContact C-O 3.56Å; K267-M273 WeakPolarHBondContact CA-O 3.42Å; C268-M273 HydrophobicContact CB-CB 4.08Å; C268-M273 PolarHBondContact N-O 3.18Å; C271-M273 PolarHBondContact O-N 3.21Å; M273-V275 HydrophobicContact CE-CG1 3.87Å; M273-V275 HydrophobicContact CG-CG1 4.14Å; M273-V275 HydrophobicContact SD-CG1 4.23Å; M273-V283 HydrophobicContact CE-CG1 4.07Å; M273-V283 HydrophobicContact CE-CG2 4.37Å; M273-V283 HydrophobicContact SD-CG1 3.98Å
274	N	93.8	Very high	90.2	Very high	26 Å²	26	53.1 Å²	53.1	14%	0.139	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.3	-177.2	-56.1	-48.8	0	0	0	110.9	Y245 T249 C251 Q252 L258 L266 K267 S272	Y245-N274 HydrophobicContact CE1-CB 4.19Å; Y245-N274 VanDerWaalsContact CE1-OD1 3.24Å; Y245-N274 WeakPolarHBondContact CE1-OD1 3.48Å; Y245-N274 WeakPolarHBondContact OH-CB 3.45Å; Y245-N274 PolarHBondContact OH-OD1 3.29Å; T249-N274 HydrophobicContact CG2-CB 4Å; C251-N274 CarbonylContact C-O 3.53Å; C251-N274 WeakPolarHBondContact CA-O 3.37Å; Q252-N274 PolarHBondContact N-O 3.12Å; L258-N274 HydrophobicContact CD1-CB 4.1Å; L266-N274 WeakPolarHBondContact O-CA 3.4Å; K267-N274 WeakPolarHBondContact CG-OD1 3.44Å; S272-N274 PolarHBondContact O-N 3.14Å; S272-N274 PolarHBondContact O-OD1 3.49Å
275	V	93.5	Very high	89.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	154.6	-178.1	-55.8	0	0	0	0	113.2	F240 L266 M273 C279 V283	F240-V275 HydrophobicContact CD1-CG2 3.89Å; F240-V275 HydrophobicContact CE1-CB 4.37Å; F240-V275 HydrophobicContact CE1-CG1 4.06Å; F240-V275 HydrophobicContact CE1-CG2 3.44Å; F240-V275 VanDerWaalsContact CE1-CG2 3.44Å; F240-V275 HydrophobicContact CE2-CG2 4.14Å; F240-V275 HydrophobicContact CG-CG2 4.46Å; F240-V275 HydrophobicContact CZ-CB 4.43Å; F240-V275 HydrophobicContact CZ-CG1 3.92Å; F240-V275 HydrophobicContact CZ-CG2 3.59Å; L266-V275 HydrophobicContact CB-CG2 3.96Å; L266-V275 HydrophobicContact CD1-CG2 4.34Å; L266-V275 PolarHBondContact N-O 2.7Å; L266-V275 PolarHBondContact O-N 3.4Å; M273-V275 HydrophobicContact CE-CG1 3.87Å; M273-V275 HydrophobicContact CG-CG1 4.14Å; M273-V275 HydrophobicContact SD-CG1 4.23Å; V275-C279 HydrophobicContact CB-CB 4.38Å; V275-V283 HydrophobicContact CB-CG2 4.42Å; V275-V283 HydrophobicContact CG1-CG2 3.79Å
276	H	93.1	Very high	89.3	Confident	18 Å²	18	56.7 Å²	56.7	8%	0.083	28%	0.278	C	S	.	.			trans	-66.7	152	168.8	-58.6	100.8	0	0	0	110.8	C251 C254 T256 L257 L258 K278 C279 Q280	C251-H276 WeakPolarHBondContact CB-CE1 3.28Å; C251-H276 VanDerWaalsContact CB-ND1 3.3Å; C251-H276 WeakPolarHBondContact CB-ND1 3.4Å; C251-H276 PolarHBondContact SG-ND1 3.36Å; C254-H276 VanDerWaalsContact SG-CE1 3.51Å; C254-H276 PolarHBondContact SG-ND1 2.78Å; C254-H276 VanDerWaalsContact SG-ND1 3.36Å; T256-H276 PolarHBondContact O-CE1 3.26Å; T256-H276 PolarHBondContact OG1-CE1 3.26Å; L257-H276 PolarHBondContact O-NE2 3.24Å; L258-H276 HydrophobicContact CD2-CB 4.33Å; L258-H276 VanDerWaalsContact CD2-CD2 3.47Å; L258-H276 WeakPolarHBondContact CD2-CD2 3.43Å; H276-K278 VanDerWaalsContact C-N 3.26Å; H276-K278 HydrophobicContact CB-CG 3.86Å; H276-K278 PolarHBondContact O-N 2.81Å; H276-C279 HydrophobicContact CB-CB 4.18Å; H276-C279 WeakPolarHBondContact O-CA 3.42Å; H276-C279 WeakPolarHBondContact O-CB 3.24Å; H276-C279 PolarHBondContact O-N 3.3Å; H276-Q280 PolarHBondContact O-N 3.4Å
277	H	90.3	Very high	88.8	Confident	91 Å²	91	56.6 Å²	56.6	42%	0.421	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-48.8	-46.2	168.5	-60.6	-81.9	0	0	0	112.4	V242 K263 G265 C279 Q280	V242-H277 VanDerWaalsContact CB-CE1 3.47Å; V242-H277 WeakPolarHBondContact CB-CE1 3.34Å; V242-H277 WeakPolarHBondContact CG1-CE1 3.33Å; V242-H277 WeakPolarHBondContact CG2-CE1 3.4Å; K263-H277 PolarHBondContact O-NE2 3.26Å; G265-H277 WeakPolarHBondContact CA-NE2 3.37Å; G265-H277 PolarHBondContact N-NE2 2.7Å; H277-C279 PolarHBondContact O-N 3.11Å; H277-Q280 WeakPolarHBondContact O-CB 3.46Å; H277-Q280 PolarHBondContact O-N 3.41Å
278	K	88.2	Confident	87.9	Confident	159 Å²	159	57.1 Å²	57.1	69%	0.691	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-65.9	-19.5	176.5	70.7	-177.2	179.2	-175	0	114.8	H276	H276-K278 VanDerWaalsContact C-N 3.26Å; H276-K278 HydrophobicContact CB-CG 3.86Å; H276-K278 PolarHBondContact O-N 2.81Å
279	C	89	Confident	87	Confident	5 Å²	5	59.1 Å²	59.1	3%	0.034	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-93.6	-16.4	-179.3	-69.4	0	0	0	0	112.8	V275 H276 H277 K281 K282 V283	V275-C279 HydrophobicContact CB-CB 4.38Å; H276-C279 HydrophobicContact CB-CB 4.18Å; H276-C279 WeakPolarHBondContact O-CA 3.42Å; H276-C279 WeakPolarHBondContact O-CB 3.24Å; H276-C279 PolarHBondContact O-N 3.3Å; H277-C279 PolarHBondContact O-N 3.11Å; C279-K281 VanDerWaalsContact C-N 3.32Å; C279-K281 PolarHBondContact O-N 2.93Å; C279-K282 CarbonylContact O-C 3.57Å; C279-K282 WeakPolarHBondContact O-CA 3.43Å; C279-K282 WeakPolarHBondContact O-CB 3.5Å; C279-K282 PolarHBondContact O-N 2.88Å; C279-V283 WeakPolarHBondContact O-CG2 3.37Å; C279-V283 PolarHBondContact O-N 2.84Å; C279-V283 VanDerWaalsContact O-N 3.16Å
280	Q	90.4	Very high	85.9	Confident	87 Å²	87	59 Å²	59	41%	0.407	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-47.7	-50.6	-177.8	-168.2	-175.1	0.1	0	0	113.1	F240 L266 H276 H277 K282	F240-Q280 HydrophobicContact CD2-CG 3.82Å; F240-Q280 HydrophobicContact CE2-CG 4.43Å; F240-Q280 HydrophobicContact CG-CG 4.41Å; L266-Q280 HydrophobicContact CD1-CB 3.63Å; L266-Q280 HydrophobicContact CD1-CG 3.66Å; H276-Q280 PolarHBondContact O-N 3.4Å; H277-Q280 WeakPolarHBondContact O-CB 3.46Å; H277-Q280 PolarHBondContact O-N 3.41Å; Q280-K282 PolarHBondContact O-N 3.42Å
281	K	85.4	Confident	84.8	Confident	195 Å²	195	55 Å²	55	85%	0.848	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-76.1	-6.9	-179.8	-60.6	-174	179.7	-176.1	0	114.2	C279	C279-K281 VanDerWaalsContact C-N 3.32Å; C279-K281 PolarHBondContact O-N 2.93Å
282	K	87.3	Confident	83.9	Confident	68 Å²	68	57.4 Å²	57.4	30%	0.296	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-102.1	-10.6	179.4	-60.4	-168.4	170.5	-151.8	0	112.7	Q198 C199 N200 T216 H253 C279 Q280	Q198-K282 PolarHBondContact O-NZ 3.16Å; C199-K282 HydrophobicContact CB-CB 4.46Å; C199-K282 WeakPolarHBondContact O-CD 3.42Å; N200-K282 PolarHBondContact OD1-NZ 2.79Å; N200-K282 VanDerWaalsContact OD1-NZ 3.16Å; T216-K282 VanDerWaalsContact OG1-C 3.29Å; T216-K282 WeakPolarHBondContact OG1-CA 3.41Å; T216-K282 PolarHBondContact OG1-O 2.84Å; H253-K282 PolarHBondContact CE1-O 2.97Å; C279-K282 CarbonylContact O-C 3.57Å; C279-K282 WeakPolarHBondContact O-CA 3.43Å; C279-K282 WeakPolarHBondContact O-CB 3.5Å; C279-K282 PolarHBondContact O-N 2.88Å; Q280-K282 PolarHBondContact O-N 3.42Å
283	V	85.3	Confident	82.9	Confident	11 Å²	11	59.4 Å²	59.4	7%	0.067	31%	0.305	C	S	.	.	S	Bend	trans	-76.1	141.7	176.2	174.3	0	0	0	0	109.7	F240 H253 M273 V275 C279	F240-V283 HydrophobicContact CE2-CG1 4.38Å; F240-V283 HydrophobicContact CZ-CG1 4.34Å; F240-V283 HydrophobicContact CZ-CG2 4.48Å; H253-V283 HydrophobicContact CB-CG2 4Å; M273-V283 HydrophobicContact CE-CG1 4.07Å; M273-V283 HydrophobicContact CE-CG2 4.37Å; M273-V283 HydrophobicContact SD-CG1 3.98Å; V275-V283 HydrophobicContact CB-CG2 4.42Å; V275-V283 HydrophobicContact CG1-CG2 3.79Å; C279-V283 WeakPolarHBondContact O-CG2 3.37Å; C279-V283 PolarHBondContact O-N 2.84Å; C279-V283 VanDerWaalsContact O-N 3.16Å
284	A	82.8	Confident	81.9	Confident	22 Å²	22	61.2 Å²	61.2	18%	0.182	31%	0.314	C	S	.	.			trans	-79.8	150.2	175.3	0	0	0	0	0	111.8	A213 H238 L286	A213-A284 HydrophobicContact CB-CB 3.73Å; H238-A284 PolarHBondContact CD2-O 3.19Å; H238-A284 PolarHBondContact NE2-O 2.93Å; A284-L286 HydrophobicContact CB-CD1 4.38Å; A284-L286 HydrophobicContact CB-CG 4.37Å; A284-L286 PolarHBondContact O-N 3.37Å
285	N	82.9	Confident	80.6	Confident	71 Å²	71	60.9 Å²	60.9	38%	0.38	32%	0.315	S	S	.	.	S	Bend	trans	-77.2	68.2	180	-69.5	-14.7	0	0	0	112.1	D235 M236	D235-N285 WeakPolarHBondContact OD1-CB 3.16Å; D235-N285 PolarHBondContact OD1-ND2 2.99Å; M236-N285 PolarHBondContact N-O 3.47Å; M236-N285 CarbonylContact O-C 3.57Å; M236-N285 WeakPolarHBondContact O-CA 3.36Å
286	L	79.3	Confident	79.6	Confident	24 Å²	24	64.1 Å²	64.1	13%	0.126	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-124.4	40.5	-179.7	-63.2	176.9	0	0	0	111.1	A213 I234 M236 A284 G288 V289 Q291	A213-L286 HydrophobicContact CB-CD1 3.87Å; I234-L286 HydrophobicContact CB-CD2 4.09Å; I234-L286 HydrophobicContact CG2-CD2 3.81Å; M236-L286 PolarHBondContact O-N 3.25Å; A284-L286 HydrophobicContact CB-CD1 4.38Å; A284-L286 HydrophobicContact CB-CG 4.37Å; A284-L286 PolarHBondContact O-N 3.37Å; L286-G288 PolarHBondContact O-N 3.17Å; L286-V289 HydrophobicContact CB-CB 4.24Å; L286-V289 HydrophobicContact CB-CG2 4.32Å; L286-V289 WeakPolarHBondContact O-CB 3.41Å; L286-V289 PolarHBondContact O-N 2.92Å; L286-V289 VanDerWaalsContact O-N 3.16Å; L286-Q291 HydrophobicContact CD1-CG 4.42Å
287	C	83.3	Confident	78.4	Confident	5 Å²	5	65.4 Å²	65.4	3%	0.034	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	133.5	-178.6	-160.9	0	0	0	0	111.2	M236 H238 C271 V289	M236-C287 HydrophobicContact CB-CB 4.35Å; M236-C287 HydrophobicContact CG-CB 4.06Å; M236-C287 WeakPolarHBondContact O-CB 3.41Å; M236-C287 PolarHBondContact O-N 3.21Å; H238-C287 PolarHBondContact NE2-N 2.83Å; C271-C287 PolarHBondContact SG-SG 3.43Å; C287-V289 PolarHBondContact O-N 3.25Å
288	G	77.2	Confident	77.3	Confident	67 Å²	67	63.2 Å²	63.2	69%	0.691	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-5.7	-177.7	0	0	0	0	0	115.8	L286	L286-G288 PolarHBondContact O-N 3.17Å
289	V	74.5	Confident	76.3	Confident	41 Å²	41	58.2 Å²	58.2	25%	0.248	32%	0.323	C	S	.	.			trans	-91.7	127.6	-173.4	-173.2	0	0	0	0	111.9	I234 L286 C287 Q291 M294	I234-V289 HydrophobicContact CG2-CG2 3.86Å; L286-V289 HydrophobicContact CB-CB 4.24Å; L286-V289 HydrophobicContact CB-CG2 4.32Å; L286-V289 WeakPolarHBondContact O-CB 3.41Å; L286-V289 PolarHBondContact O-N 2.92Å; L286-V289 VanDerWaalsContact O-N 3.16Å; C287-V289 PolarHBondContact O-N 3.25Å; V289-Q291 PolarHBondContact O-N 2.71Å; V289-M294 HydrophobicContact CG1-CG 3.58Å
290	N	69.8	Low	75.4	Confident	86 Å²	86	61.5 Å²	61.5	46%	0.46	34%	0.343	S	S	.	.			trans	-83.5	99.1	170.2	-172.1	-25.1	0	0	0	110.6	K292 L293 M294	N290-K292 VanDerWaalsContact C-N 3.28Å; N290-K292 PolarHBondContact O-N 2.88Å; N290-K292 PolarHBondContact OD1-N 2.85Å; N290-L293 HydrophobicContact CB-CB 4.29Å; N290-L293 HydrophobicContact CB-CD1 4.2Å; N290-L293 HydrophobicContact CB-CG 4.4Å; N290-L293 WeakPolarHBondContact ND2-CD1 3Å; N290-L293 PolarHBondContact O-N 2.97Å; N290-L293 PolarHBondContact OD1-N 2.95Å; N290-M294 WeakPolarHBondContact O-CG 3.47Å; N290-M294 PolarHBondContact O-N 3.23Å
291	Q	66.7	Low	74.3	Confident	43 Å²	43	60.4 Å²	60.4	20%	0.201	34%	0.339	C	S	.	.	H	α-helix	trans	-58.1	-34.9	-177	-62.8	-176.8	33.7	0	0	113.5	I212 L286 V289 A295	I212-Q291 HydrophobicContact CD1-CB 4.49Å; I212-Q291 VanDerWaalsContact CD1-O 3.26Å; I212-Q291 WeakPolarHBondContact CD1-O 3.14Å; L286-Q291 HydrophobicContact CD1-CG 4.42Å; V289-Q291 PolarHBondContact O-N 2.71Å; Q291-A295 WeakPolarHBondContact O-CB 3.43Å; Q291-A295 PolarHBondContact O-N 3.07Å
292	K	67.4	Low	73.3	Confident	96 Å²	96	56.9 Å²	56.9	42%	0.417	33%	0.326	S	S	.	.	H	α-helix	trans	-65.2	-51.8	178.9	-178.3	-171.5	168.4	-168.2	0	111.1	N290 M294 A295 E296	N290-K292 VanDerWaalsContact C-N 3.28Å; N290-K292 PolarHBondContact O-N 2.88Å; N290-K292 PolarHBondContact OD1-N 2.85Å; K292-M294 VanDerWaalsContact C-N 3.32Å; K292-M294 PolarHBondContact O-N 3.09Å; K292-A295 PolarHBondContact O-N 2.92Å; K292-E296 WeakPolarHBondContact CE-OE1 3.29Å; K292-E296 WeakPolarHBondContact CG-OE1 3.39Å; K292-E296 WeakPolarHBondContact O-CG 3.46Å; K292-E296 PolarHBondContact O-N 3.08Å
293	L	70.4	Confident	72.2	Confident	102 Å²	102	56.7 Å²	56.7	53%	0.534	33%	0.333	S	S	.	.	H	α-helix	trans	-65.1	-36.7	-179.8	-67.1	177	0	0	0	111.9	N290 E296 A297	N290-L293 HydrophobicContact CB-CB 4.29Å; N290-L293 HydrophobicContact CB-CD1 4.2Å; N290-L293 HydrophobicContact CB-CG 4.4Å; N290-L293 WeakPolarHBondContact ND2-CD1 3Å; N290-L293 PolarHBondContact O-N 2.97Å; N290-L293 PolarHBondContact OD1-N 2.95Å; L293-E296 PolarHBondContact O-N 3.28Å; L293-A297 WeakPolarHBondContact O-CB 3.34Å; L293-A297 PolarHBondContact O-N 2.93Å
294	M	69.1	Low	71.1	Confident	69 Å²	69	61.1 Å²	61.1	34%	0.34	35%	0.353	S	S	.	.	H	α-helix	trans	-67	-36.3	175	-70.9	-60.9	-67.4	0	0	112.5	I212 I234 V289 N290 K292 A297 L298	I212-M294 HydrophobicContact CD1-CB 3.54Å; I234-M294 HydrophobicContact CD1-CE 3.88Å; V289-M294 HydrophobicContact CG1-CG 3.58Å; N290-M294 WeakPolarHBondContact O-CG 3.47Å; N290-M294 PolarHBondContact O-N 3.23Å; K292-M294 VanDerWaalsContact C-N 3.32Å; K292-M294 PolarHBondContact O-N 3.09Å; M294-A297 PolarHBondContact O-N 3.25Å; M294-L298 WeakPolarHBondContact O-CB 3.36Å; M294-L298 WeakPolarHBondContact O-CG 3.34Å; M294-L298 PolarHBondContact O-N 2.82Å
295	A	66.8	Low	70	Confident	18 Å²	18	65 Å²	65	15%	0.149	37%	0.367	C	S	.	.	H	α-helix	trans	-67.8	-41.6	176.7	0	0	0	0	0	110.7	K210 I212 Q291 K292 L298 A299	K210-A295 HydrophobicContact CB-CB 4.35Å; I212-A295 HydrophobicContact CD1-CB 4.01Å; I212-A295 HydrophobicContact CG1-CB 4.15Å; Q291-A295 WeakPolarHBondContact O-CB 3.43Å; Q291-A295 PolarHBondContact O-N 3.07Å; K292-A295 PolarHBondContact O-N 2.92Å; A295-L298 PolarHBondContact O-N 3.49Å; A295-A299 PolarHBondContact O-N 2.94Å
296	E	73.5	Confident	68.6	Low	69 Å²	69	68.2 Å²	68.2	32%	0.322	38%	0.38	S	S	.	.	H	α-helix	trans	-65.2	-41.5	176.3	-73.8	158.2	-170.7	0	0	111.1	K210 K292 L293 V300	K210-E296 IonicContact NZ-OE1 2.93Å; K210-E296 PolarHBondContact NZ-OE1 3.45Å; K292-E296 WeakPolarHBondContact CE-OE1 3.29Å; K292-E296 WeakPolarHBondContact CG-OE1 3.39Å; K292-E296 WeakPolarHBondContact O-CG 3.46Å; K292-E296 PolarHBondContact O-N 3.08Å; L293-E296 PolarHBondContact O-N 3.28Å; E296-V300 WeakPolarHBondContact O-CG2 3.38Å; E296-V300 PolarHBondContact O-N 2.9Å
297	A	67.1	Low	67.2	Low	44 Å²	44	69.6 Å²	69.6	36%	0.364	40%	0.395	S	S	.	.	H	α-helix	trans	-67.3	-40	173.8	0	0	0	0	0	113.4	L293 M294 V300 I301	L293-A297 WeakPolarHBondContact O-CB 3.34Å; L293-A297 PolarHBondContact O-N 2.93Å; M294-A297 PolarHBondContact O-N 3.25Å; A297-V300 PolarHBondContact O-N 2.93Å; A297-I301 WeakPolarHBondContact O-CG1 3.15Å; A297-I301 PolarHBondContact O-N 2.99Å
298	L	67.1	Low	65.7	Low	45 Å²	45	77.4 Å²	77.4	24%	0.236	42%	0.424	C	S	.	.	H	α-helix	trans	-63.5	-41.2	176.9	-76.6	167.9	0	0	0	111.6	I212 M294 A295 V300 I301 E302	I212-L298 HydrophobicContact CD1-CD1 4.3Å; I212-L298 HydrophobicContact CG2-CD1 4.36Å; M294-L298 WeakPolarHBondContact O-CB 3.36Å; M294-L298 WeakPolarHBondContact O-CG 3.34Å; M294-L298 PolarHBondContact O-N 2.82Å; A295-L298 PolarHBondContact O-N 3.49Å; L298-V300 VanDerWaalsContact C-N 3.33Å; L298-V300 PolarHBondContact O-N 3.14Å; L298-I301 PolarHBondContact O-N 3.34Å; L298-I301 VanDerWaalsContact O-N 3.14Å; L298-E302 WeakPolarHBondContact O-CG 3.47Å; L298-E302 PolarHBondContact O-N 2.97Å
299	A	66.8	Low	64.3	Low	55 Å²	55	78.6 Å²	78.6	46%	0.455	42%	0.421	S	S	.	.	H	α-helix	trans	-63.1	-37.7	175	0	0	0	0	0	112.7	A295 S303	A295-A299 PolarHBondContact O-N 2.94Å; A299-S303 WeakPolarHBondContact O-CB 3.44Å; A299-S303 PolarHBondContact O-N 2.86Å; A299-S303 VanDerWaalsContact O-N 3.08Å; A299-S303 PolarHBondContact O-OG 2.91Å
300	V	70.9	Confident	63.1	Low	73 Å²	73	81.8 Å²	81.8	44%	0.442	44%	0.441	S	S	.	.	H	α-helix	trans	-65.5	-39.3	172.2	174.7	0	0	0	0	111.3	E296 A297 L298 S303 Q304	E296-V300 WeakPolarHBondContact O-CG2 3.38Å; E296-V300 PolarHBondContact O-N 2.9Å; A297-V300 PolarHBondContact O-N 2.93Å; L298-V300 VanDerWaalsContact C-N 3.33Å; L298-V300 PolarHBondContact O-N 3.14Å; V300-S303 WeakPolarHBondContact CA-OG 3.17Å; V300-S303 PolarHBondContact O-OG 3.33Å; V300-Q304 HydrophobicContact CG1-CG 4.45Å; V300-Q304 WeakPolarHBondContact O-CB 3.26Å; V300-Q304 VanDerWaalsContact O-CG 3.26Å; V300-Q304 WeakPolarHBondContact O-CG 3.28Å; V300-Q304 PolarHBondContact O-N 3.29Å
301	I	67.3	Low	61.9	Low	65 Å²	65	85.6 Å²	85.6	33%	0.333	45%	0.453	S	S	.	.	H	α-helix	trans	-68.9	-42.1	177.4	-68.3	164.6	0	0	0	111.7	A297 L298 Q304 Q305	A297-I301 WeakPolarHBondContact O-CG1 3.15Å; A297-I301 PolarHBondContact O-N 2.99Å; L298-I301 PolarHBondContact O-N 3.34Å; L298-I301 VanDerWaalsContact O-N 3.14Å; I301-Q304 PolarHBondContact O-N 3.32Å; I301-Q305 HydrophobicContact CG2-CG 4.28Å; I301-Q305 VanDerWaalsContact CG2-NE2 3.27Å; I301-Q305 WeakPolarHBondContact O-CB 3.4Å; I301-Q305 VanDerWaalsContact O-CG 3.29Å; I301-Q305 WeakPolarHBondContact O-CG 3.44Å; I301-Q305 PolarHBondContact O-N 3.48Å
302	E	64.3	Low	60.6	Low	121 Å²	121	90.3 Å²	90.3	57%	0.565	48%	0.48	S	S	*	.	H	α-helix	trans	-62.5	-45.2	177.2	-75	177.3	170	0	0	111.3	L298 Q304 Q305 Q306	L298-E302 WeakPolarHBondContact O-CG 3.47Å; L298-E302 PolarHBondContact O-N 2.97Å; E302-Q304 PolarHBondContact O-N 3.22Å; E302-Q305 PolarHBondContact O-N 3.13Å; E302-Q306 WeakPolarHBondContact O-CG 3.45Å; E302-Q306 PolarHBondContact O-N 3.11Å
303	S	63.3	Low	59.2	Low	63 Å²	63	88.8 Å²	88.8	44%	0.441	49%	0.491	S	S	.	.	H	α-helix	trans	-65.6	-36.2	175.3	60.5	0	0	0	0	113.3	A299 V300 A307	A299-S303 WeakPolarHBondContact O-CB 3.44Å; A299-S303 PolarHBondContact O-N 2.86Å; A299-S303 VanDerWaalsContact O-N 3.08Å; A299-S303 PolarHBondContact O-OG 2.91Å; V300-S303 WeakPolarHBondContact CA-OG 3.17Å; V300-S303 PolarHBondContact O-OG 3.33Å; S303-A307 WeakPolarHBondContact O-CB 3.11Å; S303-A307 PolarHBondContact O-N 2.84Å
304	Q	63.9	Low	57.6	Low	105 Å²	105	90.6 Å²	90.6	49%	0.491	50%	0.501	S	S	.	.	H	α-helix	trans	-71	-32.7	172.6	-74.4	-179.4	5.7	0	0	113.1	V300 I301 E302 A307 R308	V300-Q304 HydrophobicContact CG1-CG 4.45Å; V300-Q304 WeakPolarHBondContact O-CB 3.26Å; V300-Q304 VanDerWaalsContact O-CG 3.26Å; V300-Q304 WeakPolarHBondContact O-CG 3.28Å; V300-Q304 PolarHBondContact O-N 3.29Å; I301-Q304 PolarHBondContact O-N 3.32Å; E302-Q304 PolarHBondContact O-N 3.22Å; Q304-A307 PolarHBondContact O-N 3.45Å; Q304-R308 WeakPolarHBondContact O-CG 3.2Å; Q304-R308 PolarHBondContact O-N 2.95Å
305	Q	58.7	Low	56.1	Low	102 Å²	102	95 Å²	95	48%	0.477	53%	0.525	S	S	.	.	H	α-helix	trans	-71	-38.5	174.8	-76.4	179.1	16.4	0	0	111.3	I301 E302 R308 S309	I301-Q305 HydrophobicContact CG2-CG 4.28Å; I301-Q305 VanDerWaalsContact CG2-NE2 3.27Å; I301-Q305 WeakPolarHBondContact O-CB 3.4Å; I301-Q305 VanDerWaalsContact O-CG 3.29Å; I301-Q305 WeakPolarHBondContact O-CG 3.44Å; I301-Q305 PolarHBondContact O-N 3.48Å; E302-Q305 PolarHBondContact O-N 3.13Å; Q305-R308 PolarHBondContact O-N 3.42Å; Q305-S309 WeakPolarHBondContact O-CB 3.48Å; Q305-S309 PolarHBondContact O-N 2.93Å
306	Q	52.7	Low	54.3	Low	140 Å²	140	103.8 Å²	103.8	65%	0.654	57%	0.565	S	S	*	*	H	α-helix	trans	-60.2	-45.5	169.1	-73.8	174.5	-19.7	0	0	111.1	E302 R308 S309 T310	E302-Q306 WeakPolarHBondContact O-CG 3.45Å; E302-Q306 PolarHBondContact O-N 3.11Å; Q306-R308 VanDerWaalsContact C-N 3.32Å; Q306-R308 PolarHBondContact O-N 3.43Å; Q306-S309 WeakPolarHBondContact O-CB 3.06Å; Q306-S309 PolarHBondContact O-N 3.18Å; Q306-T310 PolarHBondContact O-N 3.22Å; Q306-T310 VanDerWaalsContact O-N 3.16Å; Q306-T310 PolarHBondContact O-OG1 3.26Å
307	A	51.4	Low	52.2	Low	53 Å²	53	103.7 Å²	103.7	44%	0.438	58%	0.583	S	S	.	*	H	α-helix	trans	-68.2	-23.5	178.1	0	0	0	0	0	115	S303 Q304 T310	S303-A307 WeakPolarHBondContact O-CB 3.11Å; S303-A307 PolarHBondContact O-N 2.84Å; Q304-A307 PolarHBondContact O-N 3.45Å; A307-T310 WeakPolarHBondContact CA-OG1 3.47Å; A307-T310 PolarHBondContact O-OG1 3.45Å
308	R	51.8	Low	50.4	Low	169 Å²	169	112.8 Å²	112.8	64%	0.638	61%	0.608	S	S	*	*	H	α-helix	trans	-83.2	-37.8	171.1	-75.9	-178.3	-178.6	-172.6	0.6	112.2	Q304 Q305 Q306 T310 K311 D312	Q304-R308 WeakPolarHBondContact O-CG 3.2Å; Q304-R308 PolarHBondContact O-N 2.95Å; Q305-R308 PolarHBondContact O-N 3.42Å; Q306-R308 VanDerWaalsContact C-N 3.32Å; Q306-R308 PolarHBondContact O-N 3.43Å; R308-T310 PolarHBondContact O-N 3.1Å; R308-K311 WeakPolarHBondContact O-CA 3.44Å; R308-K311 PolarHBondContact O-N 2.91Å; R308-D312 PolarHBondContact O-N 3.33Å
309	S	46.8	Very low	48.6	Very low	91 Å²	91	119.8 Å²	119.8	64%	0.636	64%	0.639	S	S	*	*	H	α-helix	trans	-58.6	-27.4	172.3	-173.9	0	0	0	0	112.7	Q305 Q306	Q305-S309 WeakPolarHBondContact O-CB 3.48Å; Q305-S309 PolarHBondContact O-N 2.93Å; Q306-S309 WeakPolarHBondContact O-CB 3.06Å; Q306-S309 PolarHBondContact O-N 3.18Å
310	T	48.9	Very low	46.7	Very low	108 Å²	108	120.7 Å²	120.7	66%	0.663	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	1.6	172.5	51.2	0	0	0	0	114.4	Q306 A307 R308	Q306-T310 PolarHBondContact O-N 3.22Å; Q306-T310 VanDerWaalsContact O-N 3.16Å; Q306-T310 PolarHBondContact O-OG1 3.26Å; A307-T310 WeakPolarHBondContact CA-OG1 3.47Å; A307-T310 PolarHBondContact O-OG1 3.45Å; R308-T310 PolarHBondContact O-N 3.1Å
311	K	44.8	Very low	45.3	Very low	166 Å²	166	123 Å²	123	72%	0.722	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.4	-31.4	177.2	-81.1	-169.7	170.9	-169.5	0	113.9	R308 G313	R308-K311 WeakPolarHBondContact O-CA 3.44Å; R308-K311 PolarHBondContact O-N 2.91Å; K311-G313 PolarHBondContact O-N 3.41Å
312	D	38.9	Very low	43.5	Very low	143 Å²	143	127 Å²	127	77%	0.765	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	1.4	172.6	-71.4	-32.2	0	0	0	113.1	R308	R308-D312 PolarHBondContact O-N 3.33Å
313	G	38.5	Very low	41.7	Very low	63 Å²	63	124.9 Å²	124.9	65%	0.649	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-24.7	173.8	0	0	0	0	0	114.2	K311	K311-G313 PolarHBondContact O-N 3.41Å
314	D	37	Very low	40	Very low	140 Å²	140	130.4 Å²	130.4	75%	0.749	73%	0.731	S	S	*	*	S	Bend	trans	-111.1	83.6	-179.8	-75.3	-38.1	0	0	0	110.5
315	I	37.5	Very low	38.3	Very low	162 Å²	162	129 Å²	129	83%	0.831	75%	0.745	S	S	*	*			trans	173.4	103.1	141.6	-85.3	149	0	0	0	107.4
316	M	29.3	Very low	36.6	Very low	202 Å²	202	133.1 Å²	133.1	100%	0.995	76%	0.764	S	S	*	*			trans	-135.8	106.8	164	-99.9	-81.4	-84.2	0	0	107.4
317	G	29	Very low	36	Very low	68 Å²	68	132.2 Å²	132.2	70%	0.701	77%	0.771	S	S	*	*			trans	-172.2	95.4	-174.5	0	0	0	0	0	115.2
318	R	30.3	Very low	34.7	Very low	235 Å²	235	133 Å²	133	89%	0.887	78%	0.784	S	S	*	*			trans	74.3	109	158.7	-71.3	-179.2	160.1	163.7	-4.6	121
319	E	29.1	Very low	33.5	Very low	191 Å²	191	132 Å²	132	89%	0.893	80%	0.796	S	S	*	*				43.2	127.9	126.7	-61.3	-177.1	139.8	0	0	122.3
320	G	26.6	Very low	32.7	Very low	74 Å²	74	133.9 Å²	133.9	76%	0.763	80%	0.803	S	S	*	*			trans	149.3	117.1	159.3	0	0	0	0	0	113.8
321	P	42.4	Very low	31.6	Very low	122 Å²	122	140.5 Å²	140.5	79%	0.792	82%	0.816	S	S	*	*			trans	-103	164.3	-177	38.6	-34.3	0	0	0	115
322	V	27.5	Very low	30.8	Very low	148 Å²	148	136.7 Å²	136.7	90%	0.897	82%	0.816	S	S	*	*			trans	81.7	124.4	165.4	-166	0	0	0	0	117.5
323	G	27.6	Very low	31.5	Very low	77 Å²	77	135.7 Å²	135.7	79%	0.794	82%	0.817	S	S	*	*			trans	177.1	113.2	168.5	0	0	0	0	0	112.9
324	I	28.1	Very low	31.1	Very low	180 Å²	180	139 Å²	139	92%	0.923	83%	0.83	S	S	*	*			trans	-90.4	142.2	-175.9	-65	161.6	0	0	0	110.6
325	G	26.6	Very low	30.6	Very low	76 Å²	76	135.6 Å²	135.6	78%	0.784	83%	0.828	S	S	*	*			trans	159.9	107.1	162.5	0	0	0	0	0	118.4
326	Q	23.4	Very low	30.2	Very low	188 Å²	188	135.8 Å²	135.8	88%	0.879	83%	0.83	S	S	*	*			trans	-92.6	-179.4	156.9	-98.8	-173.3	2.6	0	0	109.6
327	P	40.9	Very low	30.1	Very low	121 Å²	121	132.4 Å²	132.4	79%	0.786	82%	0.82	S	S	*	*			cis	-138.7	-176	-31.9	36.8	-18.6	0	0	0	114.1
328	G	24.6	Very low	30.9	Very low	70 Å²	70	135.1 Å²	135.1	72%	0.722	83%	0.826	S	S	*	*			trans	114.7	156	152.6	0	0	0	0	0	116.7
329	V	26.2	Very low	30.8	Very low	148 Å²	148	127.8 Å²	127.8	90%	0.897	82%	0.823	S	S	*	*			cis	-148.3	155.5	-7.1	160.4	0	0	0	0	109
330	V	29.2	Very low	30.6	Very low	129 Å²	129	126.8 Å²	126.8	78%	0.782	82%	0.823	S	S	*	*			trans	-71.5	144.3	-179.4	175.8	0	0	0	0	114.2
331	R	26.1	Very low	31.4	Very low	248 Å²	248	128.4 Å²	128.4	94%	0.936	82%	0.82	S	S	*	*			trans	-154.6	151.9	142.7	-119.7	174.4	-176.8	179.8	0.5	113.6
332	A	27.4	Very low	30.7	Very low	86 Å²	86	129 Å²	129	71%	0.711	82%	0.821	S	S	*	*			trans	-130	-160.1	-172.2	0	0	0	0	0	110.8
333	P	54.4	Low	30.6	Very low	122 Å²	122	128.1 Å²	128.1	79%	0.792	82%	0.816	S	S	*	*				-124.8	176.4	-117.6	36.3	-16.3	0	0	0	116.2
334	S	30.3	Very low	31	Very low	132 Å²	132	130.6 Å²	130.6	92%	0.923	82%	0.818	S	S	*	*			trans	-178.9	156.3	161.1	-77.6	0	0	0	0	109.3
335	G	26.4	Very low	30.8	Very low	68 Å²	68	126.3 Å²	126.3	70%	0.701	81%	0.809	S	S	*	*			cis	173.5	158.1	-7.7	0	0	0	0	0	112.6
336	L	28.4	Very low	31.4	Very low	167 Å²	167	128.2 Å²	128.2	87%	0.874	81%	0.808	S	S	*	*			trans	54.2	103.6	152.8	-64	158.9	0	0	0	123.8
337	V	27.3	Very low	31.4	Very low	131 Å²	131	123.3 Å²	123.3	79%	0.794	80%	0.8	S	S	*	*				36.1	152.2	106.6	-174.6	0	0	0	0	120.4
338	P	46.2	Very low	30.6	Very low	125 Å²	125	122.5 Å²	122.5	81%	0.812	80%	0.797	S	S	*	*			cis	-132.2	-177.7	-18.1	37.1	-18.5	0	0	0	116.5
339	G	27.3	Very low	30.8	Very low	80 Å²	80	128.5 Å²	128.5	83%	0.825	80%	0.803	S	S	*	*			trans	166.9	136.1	155.5	0	0	0	0	0	118.4
340	L	24.9	Very low	30.8	Very low	170 Å²	170	128.8 Å²	128.8	89%	0.89	80%	0.8	S	S	*	*			trans	-122.7	178	174.4	-91.4	152	0	0	0	108.9
341	P	43.3	Very low	31.2	Very low	109 Å²	109	127.7 Å²	127.7	71%	0.708	80%	0.795	S	S	*	*			cis	-127.5	-165.7	-33.1	37.6	-19.7	0	0	0	111.5
342	V	28.3	Very low	31.2	Very low	133 Å²	133	122.6 Å²	122.6	81%	0.806	79%	0.792	S	S	*	*			trans	161.1	143.1	136.1	157	0	0	0	0	112
343	T	26.6	Very low	31.2	Very low	131 Å²	131	121.9 Å²	121.9	80%	0.804	79%	0.793	S	S	*	*			trans	-122	152.2	168.5	42.2	0	0	0	0	108.7
344	P	35.5	Very low	29.8	Very low	128 Å²	128	122.6 Å²	122.6	83%	0.831	80%	0.795	S	S	*	*				-147.8	-176.7	78.6	35.7	-13.2	0	0	0	116.4
345	A	23.3	Very low	29.4	Very low	90 Å²	90	122.1 Å²	122.1	74%	0.744	78%	0.781	S	S	*	*			trans	-84.4	-161.8	-176.6	0	0	0	0	0	112.6
346	P	38.9	Very low	29.4	Very low	117 Å²	117	128.4 Å²	128.4	76%	0.76	78%	0.784	S	S	*	*			cis	-140.7	-172	-7.4	39.3	-18.1	0	0	0	116.5
347	A	24.7	Very low	29.2	Very low	85 Å²	85	128.4 Å²	128.4	70%	0.702	78%	0.779	S	S	*	*			trans	87.1	117.4	139.7	0	0	0	0	0	123.8
348	S	24.3	Very low	29	Very low	104 Å²	104	125.7 Å²	125.7	73%	0.727	78%	0.777	S	S	*	*				107.6	132.6	120.6	78.3	0	0	0	0	122.5
349	K	26.9	Very low	28.4	Very low	196 Å²	196	125.3 Å²	125.3	85%	0.852	78%	0.775	S	S	*	*			trans	76.3	107	143.7	-73.3	170.1	179.9	-177.6	0	121.8
350	D	26.5	Very low	28.3	Very low	153 Å²	153	127.6 Å²	127.6	82%	0.818	77%	0.773	S	S	*	*			trans	-41.6	160.1	134.3	-78.7	-48.9	0	0	0	113.2
351	P	39	Very low	28.4	Very low	106 Å²	106	128.7 Å²	128.7	69%	0.688	77%	0.774	S	S	*	*			cis	-159	-177.8	49.8	42.1	-18.7	0	0	0	121.4
352	T	25.4	Very low	27.8	Very low	142 Å²	142	130.2 Å²	130.2	87%	0.871	78%	0.781	S	S	*	*			trans	81.1	131.8	147.1	36.1	0	0	0	0	123.6
353	G	26.4	Very low	27.8	Very low	70 Å²	70	129.2 Å²	129.2	72%	0.722	78%	0.78	S	S	*	*			trans	136.4	107.6	167.2	0	0	0	0	0	112.2
354	V	25	Very low	28.1	Very low	138 Å²	138	134.3 Å²	134.3	84%	0.836	78%	0.784	S	S	*	*			cis	77.8	123.8	36.5	-175.2	0	0	0	0	112.4
355	L	22	Very low	27.9	Very low	121 Å²	121	134 Å²	134	63%	0.634	78%	0.783	S	S	*	*			cis	-173	129.3	-12.7	-179	60.7	0	0	0	107.1
356	W	26.7	Very low	28.5	Very low	201 Å²	201	133.7 Å²	133.7	76%	0.761	78%	0.779	S	S	*	*				166.8	-178.7	97.4	-114.6	149.5	0	0	0	112.9
357	E	24.4	Very low	28.3	Very low	167 Å²	167	134.2 Å²	134.2	78%	0.78	78%	0.783	S	S	*	*			trans	9.9	143.4	147.9	-56.7	173	168	0	0	121.2
358	G	24.3	Very low	28.7	Very low	73 Å²	73	139.1 Å²	139.1	75%	0.753	79%	0.792	S	S	*	*			cis	166.2	-170.9	3.3	0	0	0	0	0	108.5
359	P	32.5	Very low	29.3	Very low	117 Å²	117	141.1 Å²	141.1	76%	0.76	79%	0.789	S	S	*	*			cis	-129.6	163.5	-18.6	42.1	-26.3	0	0	0	115.5
360	T	26	Very low	29.7	Very low	129 Å²	129	137 Å²	137	79%	0.791	78%	0.783	S	S	*	*			trans	29.3	118.5	153.4	52.9	0	0	0	0	123.1
361	E	27.1	Very low	30	Very low	192 Å²	192	138.5 Å²	138.5	90%	0.897	79%	0.79	S	S	*	*			trans	-124.1	155.2	136.4	-89.7	-158.9	150.5	0	0	111	S363	E361-S363 PolarHBondContact O-N 3.25Å
362	V	29.6	Very low	29.9	Very low	142 Å²	142	140.9 Å²	140.9	86%	0.861	79%	0.786	S	S	*	*			trans	-86.8	109.1	-165.7	179.7	0	0	0	0	112.2
363	S	28.7	Very low	30.5	Very low	112 Å²	112	138.7 Å²	138.7	78%	0.783	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-78.9	125.2	173.9	-62.8	0	0	0	0	112.3	E361	E361-S363 PolarHBondContact O-N 3.25Å
364	R	33.1	Very low	31	Very low	237 Å²	237	140.6 Å²	140.6	89%	0.894	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-66.3	140	165.4	-65.9	176	176.7	173.9	-1.7	109.6
365	P	31.2	Very low	31.7	Very low	123 Å²	123	138.3 Å²	138.3	80%	0.799	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-67.6	137.1	175.6	27.4	-32.4	0	0	0	110.8
366	A	36.7	Very low	32.4	Very low	82 Å²	82	141.2 Å²	141.2	68%	0.678	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-68.4	161.2	165.7	0	0	0	0	0	110.1	E368	A366-E368 PolarHBondContact O-N 3.31Å
367	P	34.7	Very low	32.9	Very low	129 Å²	129	141.8 Å²	141.8	84%	0.838	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-61.2	123.9	178.1	-18.6	31.3	0	0	0	110.5	E369	P367-E369 PolarHBondContact O-N 2.77Å
368	E	31.7	Very low	33.7	Very low	188 Å²	188	140.3 Å²	140.3	88%	0.879	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-65.1	125.6	173.3	-65.3	-174.7	143.9	0	0	109.7	A366	A366-E368 PolarHBondContact O-N 3.31Å
369	E	37.5	Very low	34.9	Very low	146 Å²	146	146.1 Å²	146.1	68%	0.682	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-63.2	139.1	162.2	-70.2	-163.9	161.3	0	0	108.7	P367 L371	P367-E369 PolarHBondContact O-N 2.77Å; E369-L371 PolarHBondContact O-N 2.96Å
370	P	34.6	Very low	36.1	Very low	110 Å²	110	145.7 Å²	145.7	71%	0.714	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-57.9	134.1	176.9	-19.9	29.7	0	0	0	110.5	Y372	P370-Y372 WeakPolarHBondContact O-CD1 3.44Å; P370-Y372 PolarHBondContact O-N 3.01Å
371	L	32.8	Very low	38.1	Very low	184 Å²	184	143.9 Å²	143.9	96%	0.963	76%	0.758	S	S	*	*			trans	-67.9	71.5	177.6	-75.8	163.3	0	0	0	112.2	E369	E369-L371 PolarHBondContact O-N 2.96Å
372	Y	36.5	Very low	40.7	Very low	156 Å²	156	144.1 Å²	144.1	61%	0.612	76%	0.756	S	S	*	*			trans	-71.5	129.5	159.9	60.3	-87.7	0	0	0	108.3	P370 V374	P370-Y372 WeakPolarHBondContact O-CD1 3.44Å; P370-Y372 PolarHBondContact O-N 3.01Å; Y372-V374 HydrophobicContact CD2-CG2 4.25Å; Y372-V374 HydrophobicContact CE2-CG2 3.88Å; Y372-V374 PolarHBondContact O-N 3.15Å
373	A	38	Very low	43.5	Very low	96 Å²	96	138.4 Å²	138.4	79%	0.793	72%	0.719	S	S	*	*			trans	-63.1	100.5	-179.1	0	0	0	0	0	110.7	P375	A373-P375 WeakPolarHBondContact O-CD 3.45Å
374	V	37.1	Very low	46.6	Very low	109 Å²	109	135 Å²	135	66%	0.661	70%	0.696	S	S	*	*			trans	-64.9	114.1	167.1	179.5	0	0	0	0	107.3	Y372 K376	Y372-V374 HydrophobicContact CD2-CG2 4.25Å; Y372-V374 HydrophobicContact CE2-CG2 3.88Å; Y372-V374 PolarHBondContact O-N 3.15Å; V374-K376 PolarHBondContact O-N 3.03Å
375	P	40.7	Very low	49.5	Very low	90 Å²	90	125 Å²	125	58%	0.584	66%	0.66	S	S	*	*			trans	-65.7	129.9	-179.7	-19	33.1	0	0	0	109.5	A373	A373-P375 WeakPolarHBondContact O-CD 3.45Å
376	K	36.1	Very low	52.4	Low	183 Å²	183	124.9 Å²	124.9	80%	0.796	65%	0.653	S	S	*	*			trans	-57.3	148.4	166.8	-69.7	-178.3	178.2	178.4	0	109	V374 D378	V374-K376 PolarHBondContact O-N 3.03Å; K376-D378 PolarHBondContact O-N 2.96Å
377	K	37.2	Very low	55.1	Low	213 Å²	213	123.8 Å²	123.8	93%	0.926	64%	0.635	S	S	*	*	S	Bend	trans	-71.4	60.1	178.5	-73.8	-176.8	175.2	175.3	0	112.7
378	D	42.1	Very low	57.9	Low	135 Å²	135	118 Å²	118	72%	0.722	60%	0.597	S	S	*	*			trans	-77.2	159.5	157.3	-84.5	-48.2	0	0	0	110.3	K376 Q380	K376-D378 PolarHBondContact O-N 2.96Å; D378-Q380 VanDerWaalsContact C-N 3.26Å; D378-Q380 PolarHBondContact O-N 3.36Å
379	H	48.1	Very low	61	Low	195 Å²	195	112.4 Å²	112.4	90%	0.903	57%	0.572	S	S	*	*			trans	-68.2	80.5	177.9	-76.4	14	0	0	0	111.2	Q381	H379-Q381 PolarHBondContact O-N 2.98Å; H379-Q381 VanDerWaalsContact O-N 3.15Å
380	Q	57.6	Low	63.8	Low	109 Å²	109	107.3 Å²	107.3	51%	0.509	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-57.1	119.5	170.7	-75.4	-175.5	-22.9	0	0	109.9	D378 K382	D378-Q380 VanDerWaalsContact C-N 3.26Å; D378-Q380 PolarHBondContact O-N 3.36Å; Q380-K382 PolarHBondContact O-N 3.32Å
381	Q	68.9	Low	66.6	Low	90 Å²	90	105.7 Å²	105.7	42%	0.421	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-56.4	119.3	175.7	-173.5	171.2	8.2	0	0	109.5	H379 F383	H379-Q381 PolarHBondContact O-N 2.98Å; H379-Q381 VanDerWaalsContact O-N 3.15Å; Q381-F383 HydrophobicContact CB-CE2 4.33Å; Q381-F383 HydrophobicContact CG-CE2 4.25Å; Q381-F383 HydrophobicContact CG-CZ 4.13Å
382	K	81.6	Confident	69.6	Low	198 Å²	198	100.5 Å²	100.5	86%	0.861	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-86.2	117.9	179.9	-68.1	179.3	-179.2	173.4	0	109.1	Q380	Q380-K382 PolarHBondContact O-N 3.32Å
383	F	89.3	Confident	72.3	Confident	21 Å²	21	93 Å²	93	9%	0.092	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-89.4	148.3	172.3	-65.5	-85.3	0	0	0	111.2	Q381 F388 L407 C454 F456 V705 M709 A713	Q381-F383 HydrophobicContact CB-CE2 4.33Å; Q381-F383 HydrophobicContact CG-CE2 4.25Å; Q381-F383 HydrophobicContact CG-CZ 4.13Å; F383-F388 HydrophobicContact CD1-CE2 4.46Å; F383-L407 HydrophobicContact CD1-CD1 4.34Å; F383-L407 HydrophobicContact CE1-CD1 4.17Å; F383-C454 HydrophobicContact CD2-CB 4.44Å; F383-F456 HydrophobicContact CB-CD1 4Å; F383-F456 HydrophobicContact CB-CE1 4.42Å; F383-F456 WeakPolarHBondContact O-CB 3.24Å; F383-F456 WeakPolarHBondContact O-CG 3.13Å; F383-V705 HydrophobicContact CD2-CG2 4.11Å; F383-V705 HydrophobicContact CE2-CG1 3.95Å; F383-V705 HydrophobicContact CE2-CG2 4.27Å; F383-M709 HydrophobicContact CD1-CE 4.15Å; F383-M709 HydrophobicContact CE1-CE 3.72Å; F383-M709 HydrophobicContact CE2-CG 3.96Å; F383-M709 HydrophobicContact CZ-CE 3.92Å; F383-M709 HydrophobicContact CZ-CG 3.87Å; F383-A713 HydrophobicContact CE1-CB 3.89Å; F383-A713 HydrophobicContact CZ-CB 3.66Å
384	S	92.9	Very high	74.8	Confident	41 Å²	41	89.2 Å²	89.2	29%	0.287	44%	0.439	S	S	.	.			trans	-129.3	168.8	174.3	71.7	0	0	0	0	109.6	D386 D387 F388 F456	S384-D386 PolarHBondContact O-N 3.22Å; S384-D386 PolarHBondContact OG-N 3.35Å; S384-D387 WeakPolarHBondContact CA-OD2 3.43Å; S384-D387 WeakPolarHBondContact CB-OD2 3.14Å; S384-D387 PolarHBondContact N-OD2 2.87Å; S384-D387 PolarHBondContact O-N 3.06Å; S384-D387 PolarHBondContact OG-OD2 2.84Å; S384-F388 WeakPolarHBondContact O-CD2 3.48Å; S384-F456 VanDerWaalsContact C-CE2 3.48Å
385	I	93.3	Very high	77	Confident	27 Å²	27	84.6 Å²	84.6	14%	0.138	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-67.5	-25.9	174.6	-168.3	59.3	0	0	0	111.8	D387 F388 L390 F456 F463 L683	I385-D387 PolarHBondContact O-N 2.93Å; I385-F388 PolarHBondContact O-N 2.92Å; I385-F388 VanDerWaalsContact O-N 3.08Å; I385-L390 HydrophobicContact CD1-CD1 4.46Å; I385-L390 HydrophobicContact CD1-CD2 4.18Å; I385-F456 HydrophobicContact CB-CE2 4.07Å; I385-F456 HydrophobicContact CB-CZ 4.26Å; I385-F456 HydrophobicContact CD1-CZ 4.34Å; I385-F456 VanDerWaalsContact N-CE2 3.27Å; I385-F463 HydrophobicContact CB-CE1 4.29Å; I385-F463 HydrophobicContact CB-CZ 4.14Å; I385-F463 HydrophobicContact CD1-CD1 3.97Å; I385-F463 HydrophobicContact CD1-CE1 3.64Å; I385-F463 HydrophobicContact CD1-CZ 4.34Å; I385-F463 HydrophobicContact CG1-CE1 3.97Å; I385-F463 HydrophobicContact CG1-CZ 4.21Å; I385-L683 HydrophobicContact CG1-CD1 4.22Å
386	D	92.6	Very high	78.7	Confident	121 Å²	121	86.3 Å²	86.3	65%	0.647	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-71.9	-11.1	179.1	-59	-54.5	0	0	0	112.9	S384 F388 K408	S384-D386 PolarHBondContact O-N 3.22Å; S384-D386 PolarHBondContact OG-N 3.35Å; D386-F388 VanDerWaalsContact C-N 3.26Å; D386-K408 WeakPolarHBondContact O-CD 3.4Å; D386-K408 VanDerWaalsContact O-CE 3.27Å; D386-K408 WeakPolarHBondContact O-CE 3.33Å; D386-K408 PolarHBondContact O-NZ 2.82Å
387	D	93.3	Very high	80.1	Confident	58 Å²	58	80.1 Å²	80.1	31%	0.31	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-78.7	-11	170.7	-60.4	-64.9	0	0	0	112.6	S384 I385 L407 K408	S384-D387 WeakPolarHBondContact CA-OD2 3.43Å; S384-D387 WeakPolarHBondContact CB-OD2 3.14Å; S384-D387 PolarHBondContact N-OD2 2.87Å; S384-D387 PolarHBondContact O-N 3.06Å; S384-D387 PolarHBondContact OG-OD2 2.84Å; I385-D387 PolarHBondContact O-N 2.93Å; D387-L407 HydrophobicContact CB-CD1 4.27Å; D387-K408 WeakPolarHBondContact O-CB 3.45Å; D387-K408 VanDerWaalsContact O-CG 3.27Å; D387-K408 WeakPolarHBondContact O-CG 3.3Å; D387-K408 PolarHBondContact O-N 3.42Å
388	F	95	Very high	80.9	Confident	9 Å²	9	74.5 Å²	74.5	4%	0.039	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	151.2	-177	-62.9	-92.3	0	0	0	112.2	F383 S384 I385 D386 A405 E406 L407 F414 F456 V465 M709	F383-F388 HydrophobicContact CD1-CE2 4.46Å; S384-F388 WeakPolarHBondContact O-CD2 3.48Å; I385-F388 PolarHBondContact O-N 2.92Å; I385-F388 VanDerWaalsContact O-N 3.08Å; D386-F388 VanDerWaalsContact C-N 3.26Å; F388-A405 HydrophobicContact CB-CB 4.26Å; F388-A405 HydrophobicContact CD1-CB 4.15Å; F388-E406 CarbonylContact C-O 3.51Å; F388-E406 VanDerWaalsContact CA-O 3.28Å; F388-E406 WeakPolarHBondContact CA-O 3.13Å; F388-L407 HydrophobicContact CD1-CB 4.18Å; F388-L407 HydrophobicContact CD1-CD1 4.28Å; F388-L407 HydrophobicContact CE1-CB 3.98Å; F388-L407 HydrophobicContact CE1-CD1 3.86Å; F388-L407 HydrophobicContact CE2-CD1 4.33Å; F388-L407 HydrophobicContact CZ-CD1 3.88Å; F388-F414 HydrophobicContact CE1-CD2 4.16Å; F388-F456 HydrophobicContact CD2-CE1 4.42Å; F388-F456 HydrophobicContact CD2-CZ 4.42Å; F388-F456 AromaticContact CE2-CE1 3.84Å; F388-F456 HydrophobicContact CE2-CE1 3.84Å; F388-F456 HydrophobicContact CE2-CZ 4.28Å; F388-V465 HydrophobicContact CE1-CG1 3.87Å; F388-V465 HydrophobicContact CE1-CG2 4.46Å; F388-V465 HydrophobicContact CE2-CG2 4.29Å; F388-V465 HydrophobicContact CZ-CG1 3.92Å; F388-V465 HydrophobicContact CZ-CG2 3.88Å; F388-M709 HydrophobicContact CE1-CE 4.34Å; F388-M709 HydrophobicContact CZ-CE 3.92Å
389	I	95.8	Very high	81.9	Confident	70 Å²	70	71.5 Å²	71.5	36%	0.359	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	116	169.8	-58.4	174.7	0	0	0	107.4	H391 A405 E406 K408	I389-H391 PolarHBondContact O-CD2 3.38Å; I389-H391 PolarHBondContact O-N 3.19Å; I389-A405 CarbonylContact O-C 3.51Å; I389-A405 VanDerWaalsContact O-CA 3.26Å; I389-A405 WeakPolarHBondContact O-CA 3.37Å; I389-E406 HydrophobicContact CB-CB 4.42Å; I389-E406 PolarHBondContact N-O 2.87Å; I389-E406 PolarHBondContact O-N 2.8Å; I389-K408 HydrophobicContact CD1-CG 4.05Å; I389-K408 HydrophobicContact CG1-CD 4.36Å; I389-K408 HydrophobicContact CG1-CG 3.82Å
390	L	96	Very high	83.5	Confident	38 Å²	38	63.1 Å²	63.1	20%	0.199	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	111.6	178.8	-54.3	-175.5	0	0	0	110	I385 F403 A405 P681	I385-L390 HydrophobicContact CD1-CD1 4.46Å; I385-L390 HydrophobicContact CD1-CD2 4.18Å; L390-F403 HydrophobicContact CD1-CD1 4.31Å; L390-F403 HydrophobicContact CD1-CD2 4.43Å; L390-F403 HydrophobicContact CD1-CG 4.23Å; L390-F403 HydrophobicContact CD2-CB 4Å; L390-F403 HydrophobicContact CD2-CG 4.4Å; L390-A405 HydrophobicContact CD2-CB 3.73Å; L390-P681 HydrophobicContact CB-CB 4.1Å; L390-P681 WeakPolarHBondContact O-CG 3.36Å
391	H	94.4	Very high	85	Confident	76 Å²	76	58.9 Å²	58.9	35%	0.352	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-45.9	-173.9	-76.4	-75.6	0	0	0	113.2	I389 L404 E406 F413	I389-H391 PolarHBondContact O-CD2 3.38Å; I389-H391 PolarHBondContact O-N 3.19Å; H391-L404 HydrophobicContact CB-CD2 4.33Å; H391-L404 HydrophobicContact CB-CG 4.26Å; H391-L404 PolarHBondContact N-O 3.14Å; H391-E406 IonicContact CD2-OE2 2.95Å; H391-E406 IonicContact CE1-OE2 2.65Å; H391-E406 WeakPolarHBondContact NE2-CB 3.41Å; H391-E406 IonicContact NE2-OE2 2.64Å; H391-E406 PolarHBondContact NE2-OE2 2.76Å; H391-F413 AromaticContact CD2-CE1 3.82Å; H391-F413 AromaticContact NE2-CE1 3.88Å
392	K	94.5	Very high	86.2	Confident	75 Å²	75	56.5 Å²	56.5	33%	0.326	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	157.5	-175	-71.1	-62.3	-164.1	168.1	0	111.3	F403 L404 I677	K392-F403 CarbonylContact O-C 3.45Å; K392-F403 VanDerWaalsContact O-CA 3.25Å; K392-F403 WeakPolarHBondContact O-CA 3.48Å; K392-L404 HydrophobicContact CB-CB 4.14Å; K392-L404 PolarHBondContact O-N 3.1Å; K392-I677 HydrophobicContact CB-CD1 4.25Å; K392-I677 HydrophobicContact CD-CG2 4.07Å; K392-I677 WeakPolarHBondContact CD-O 3.38Å; K392-I677 PolarHBondContact NZ-O 3.47Å
393	M	93.5	Very high	86.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119.8	166.5	-168.5	174.8	-40.5	0	0	108.5	K401 V402 F403 F676 I677 E679 K680	M393-K401 HydrophobicContact CE-CD 3.8Å; M393-K401 HydrophobicContact SD-CB 4.44Å; M393-K401 HydrophobicContact SD-CD 3.72Å; M393-K401 VanDerWaalsContact SD-CE 3.59Å; M393-K401 HydrophobicContact SD-CG 3.97Å; M393-V402 CarbonylContact C-O 3.54Å; M393-F403 HydrophobicContact CB-CD1 4.38Å; M393-F403 HydrophobicContact CE-CE1 3.99Å; M393-F403 HydrophobicContact CG-CD1 4.46Å; M393-F403 HydrophobicContact CG-CE1 4.38Å; M393-F676 CarbonylContact O-C 3.6Å; M393-F676 WeakPolarHBondContact O-CB 3.33Å; M393-F676 VanDerWaalsContact O-O 3.08Å; M393-I677 PolarHBondContact O-N 3.3Å; M393-E679 HydrophobicContact CE-CB 3.9Å; M393-E679 HydrophobicContact CE-CG 3.64Å; M393-E679 VanDerWaalsContact CE-OE1 3.28Å; M393-E679 WeakPolarHBondContact CE-OE1 3.25Å; M393-E679 HydrophobicContact SD-CB 4.22Å; M393-E679 HydrophobicContact SD-CG 4.27Å; M393-K680 VanDerWaalsContact CE-O 3.29Å; M393-K680 WeakPolarHBondContact CE-O 3.19Å
394	L	89.9	Confident	87.2	Confident	15 Å²	15	46.2 Å²	46.2	8%	0.079	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-26.3	-177.4	-61.7	175.5	0	0	0	111.9	V402 L404 A415 Y468 F672 I677	L394-V402 HydrophobicContact CB-CB 4.5Å; L394-V402 HydrophobicContact CB-CG1 4.29Å; L394-V402 HydrophobicContact CD1-CG1 4.39Å; L394-V402 PolarHBondContact N-O 3.23Å; L394-L404 HydrophobicContact CD1-CB 4.09Å; L394-L404 HydrophobicContact CD2-CB 4.04Å; L394-L404 HydrophobicContact CG-CB 4.06Å; L394-A415 HydrophobicContact CD1-CB 4.41Å; L394-Y468 HydrophobicContact CD1-CD2 3.88Å; L394-Y468 HydrophobicContact CD1-CE2 3.56Å; L394-Y468 HydrophobicContact CD2-CE2 4.01Å; L394-Y468 HydrophobicContact CG-CE2 4.44Å; L394-F672 HydrophobicContact CB-CD1 4.06Å; L394-F672 HydrophobicContact CB-CE1 3.97Å; L394-F672 HydrophobicContact CD1-CE1 4.29Å; L394-F672 HydrophobicContact CD1-CZ 4.36Å; L394-F672 HydrophobicContact CD2-CD1 3.95Å; L394-F672 HydrophobicContact CD2-CD2 4.17Å; L394-F672 HydrophobicContact CD2-CE1 3.84Å; L394-F672 HydrophobicContact CD2-CE2 4.05Å; L394-F672 HydrophobicContact CD2-CG 4.12Å; L394-F672 HydrophobicContact CD2-CZ 3.87Å; L394-F672 HydrophobicContact CG-CE1 4.24Å; L394-I677 HydrophobicContact CD2-CD1 3.98Å
395	G	84.2	Confident	87.4	Confident	13 Å²	13	44.3 Å²	44.3	13%	0.134	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	169.2	-179.7	0	0	0	0	0	113.2	V402	G395-V402 PolarHBondContact N-O 3.12Å; G395-V402 PolarHBondContact O-N 3.45Å
396	K	76.9	Confident	87.6	Confident	125 Å²	125	45 Å²	45	54%	0.543	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	124.8	-176.7	179.2	-178.5	173.2	-172.8	0	109.3	K401 F676	K396-K401 HydrophobicContact CG-CG 4.26Å; K396-F676 HydrophobicContact CB-CD1 4.39Å; K396-F676 HydrophobicContact CB-CE1 4.15Å
397	G	64.2	Low	87.6	Confident	54 Å²	54	39.7 Å²	39.7	56%	0.557	22%	0.222	S	C	*	.			trans	-116.9	-174.7	179.1	0	0	0	0	0	112.3	F399 G400	G397-F399 VanDerWaalsContact C-N 3.3Å; G397-F399 PolarHBondContact O-N 3.16Å; G397-G400 PolarHBondContact N-O 3.36Å
398	S	54.4	Low	87.5	Confident	94 Å²	94	41.4 Å²	41.4	66%	0.657	23%	0.227	S	C	*	.	S	Bend	trans	-55.3	-42.3	176.5	46.1	0	0	0	0	113.2
399	F	64.2	Low	86.9	Confident	72 Å²	72	52.9 Å²	52.9	32%	0.316	27%	0.27	S	S	.	.	S	Bend	trans	-99.2	-9.9	-170.2	-50.8	-62.3	0	0	0	114.8	G397 L419 V423 D427 D429	G397-F399 VanDerWaalsContact C-N 3.3Å; G397-F399 PolarHBondContact O-N 3.16Å; F399-L419 HydrophobicContact CB-CD2 3.92Å; F399-V423 HydrophobicContact CD1-CG1 4.41Å; F399-D427 HydrophobicContact CE1-CB 4.06Å; F399-D429 HydrophobicContact CE1-CB 4.41Å; F399-D429 WeakPolarHBondContact CE1-OD2 3.23Å; F399-D429 VanDerWaalsContact CZ-OD2 3.25Å; F399-D429 WeakPolarHBondContact CZ-OD2 3.24Å
400	G	80.4	Confident	86.5	Confident	19 Å²	19	51.2 Å²	51.2	20%	0.196	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.7	-166.4	-171	0	0	0	0	0	116.4	G397 A418	G397-G400 PolarHBondContact N-O 3.36Å; G400-A418 VanDerWaalsContact CA-O 3.24Å; G400-A418 WeakPolarHBondContact CA-O 3.33Å
401	K	90.1	Very high	86	Confident	21 Å²	21	51.2 Å²	51.2	9%	0.091	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.9	-176.6	-74	176.7	162.3	-177.3	0	110.6	M393 K396 F403 A418 E679 K682	M393-K401 HydrophobicContact CE-CD 3.8Å; M393-K401 HydrophobicContact SD-CB 4.44Å; M393-K401 HydrophobicContact SD-CD 3.72Å; M393-K401 VanDerWaalsContact SD-CE 3.59Å; M393-K401 HydrophobicContact SD-CG 3.97Å; K396-K401 HydrophobicContact CG-CG 4.26Å; K401-F403 HydrophobicContact CB-CD2 4.44Å; K401-F403 HydrophobicContact CB-CE1 4.42Å; K401-F403 HydrophobicContact CB-CE2 3.61Å; K401-F403 HydrophobicContact CB-CZ 3.61Å; K401-F403 HydrophobicContact CD-CE1 4.45Å; K401-F403 HydrophobicContact CD-CZ 3.84Å; K401-F403 HydrophobicContact CG-CZ 4.38Å; K401-A418 PolarHBondContact N-O 3.17Å; K401-A418 PolarHBondContact O-N 3.26Å; K401-E679 WeakPolarHBondContact CE-OE1 3.38Å; K401-E679 IonicContact NZ-OE1 2.69Å; K401-E679 PolarHBondContact NZ-OE1 3.3Å; K401-K682 PolarHBondContact NZ-O 2.84Å
402	V	93.3	Very high	85.9	Confident	39 Å²	39	52.6 Å²	52.6	24%	0.236	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.2	173.3	-172.5	0	0	0	0	108.8	M393 L394 G395 A415 V416 K417	M393-V402 CarbonylContact C-O 3.54Å; L394-V402 HydrophobicContact CB-CB 4.5Å; L394-V402 HydrophobicContact CB-CG1 4.29Å; L394-V402 HydrophobicContact CD1-CG1 4.39Å; L394-V402 PolarHBondContact N-O 3.23Å; G395-V402 PolarHBondContact N-O 3.12Å; G395-V402 PolarHBondContact O-N 3.45Å; V402-A415 HydrophobicContact CG1-CB 4.38Å; V402-V416 WeakPolarHBondContact CA-O 3.43Å; V402-K417 HydrophobicContact CG2-CB 4.18Å; V402-K417 HydrophobicContact CG2-CG 4.22Å
403	F	96.3	Very high	85.9	Confident	1 Å²	1	51.7 Å²	51.7	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143.9	-177.9	-57.1	-86.2	0	0	0	111.5	L390 K392 M393 K401 A405 A415 V416 A418 P681 L683	L390-F403 HydrophobicContact CD1-CD1 4.31Å; L390-F403 HydrophobicContact CD1-CD2 4.43Å; L390-F403 HydrophobicContact CD1-CG 4.23Å; L390-F403 HydrophobicContact CD2-CB 4Å; L390-F403 HydrophobicContact CD2-CG 4.4Å; K392-F403 CarbonylContact O-C 3.45Å; K392-F403 VanDerWaalsContact O-CA 3.25Å; K392-F403 WeakPolarHBondContact O-CA 3.48Å; M393-F403 HydrophobicContact CB-CD1 4.38Å; M393-F403 HydrophobicContact CE-CE1 3.99Å; M393-F403 HydrophobicContact CG-CD1 4.46Å; M393-F403 HydrophobicContact CG-CE1 4.38Å; K401-F403 HydrophobicContact CB-CD2 4.44Å; K401-F403 HydrophobicContact CB-CE1 4.42Å; K401-F403 HydrophobicContact CB-CE2 3.61Å; K401-F403 HydrophobicContact CB-CZ 3.61Å; K401-F403 HydrophobicContact CD-CE1 4.45Å; K401-F403 HydrophobicContact CD-CZ 3.84Å; K401-F403 HydrophobicContact CG-CZ 4.38Å; F403-A405 PolarHBondContact O-N 3.08Å; F403-A415 WeakPolarHBondContact O-CA 3.46Å; F403-V416 PolarHBondContact N-O 2.66Å; F403-V416 PolarHBondContact O-N 3.15Å; F403-A418 HydrophobicContact CD2-CB 4.41Å; F403-A418 HydrophobicContact CE2-CB 4Å; F403-P681 HydrophobicContact CD1-CB 3.97Å; F403-P681 HydrophobicContact CE1-CB 4.3Å; F403-L683 HydrophobicContact CE2-CD2 3.71Å; F403-L683 HydrophobicContact CZ-CD2 4.05Å
404	L	96.9	Very high	86.1	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.016	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	120.7	158.4	175.1	57.6	0	0	0	107.4	H391 K392 L394 F413 Y468	H391-L404 HydrophobicContact CB-CD2 4.33Å; H391-L404 HydrophobicContact CB-CG 4.26Å; H391-L404 PolarHBondContact N-O 3.14Å; K392-L404 HydrophobicContact CB-CB 4.14Å; K392-L404 PolarHBondContact O-N 3.1Å; L394-L404 HydrophobicContact CD1-CB 4.09Å; L394-L404 HydrophobicContact CD2-CB 4.04Å; L394-L404 HydrophobicContact CG-CB 4.06Å; L404-F413 HydrophobicContact CD1-CB 3.95Å; L404-F413 HydrophobicContact CD1-CD1 3.79Å; L404-F413 HydrophobicContact CD1-CG 4.23Å; L404-F413 HydrophobicContact CG-CD1 4.24Å; L404-Y468 HydrophobicContact CD1-CD1 3.73Å; L404-Y468 HydrophobicContact CD1-CD2 3.79Å; L404-Y468 HydrophobicContact CD1-CE1 3.72Å; L404-Y468 HydrophobicContact CD1-CE2 3.8Å; L404-Y468 HydrophobicContact CD1-CG 3.77Å; L404-Y468 HydrophobicContact CD2-CE1 4.42Å
405	A	97	Very high	86.4	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.9	-177.8	0	0	0	0	0	111.2	F388 I389 L390 F403 F413 F414 V416	F388-A405 HydrophobicContact CB-CB 4.26Å; F388-A405 HydrophobicContact CD1-CB 4.15Å; I389-A405 CarbonylContact O-C 3.51Å; I389-A405 VanDerWaalsContact O-CA 3.26Å; I389-A405 WeakPolarHBondContact O-CA 3.37Å; L390-A405 HydrophobicContact CD2-CB 3.73Å; F403-A405 PolarHBondContact O-N 3.08Å; A405-F413 CarbonylContact O-C 3.57Å; A405-F413 WeakPolarHBondContact O-CA 3.4Å; A405-F414 PolarHBondContact N-O 3.03Å; A405-F414 PolarHBondContact O-N 2.98Å; A405-V416 HydrophobicContact CB-CB 4.18Å; A405-V416 HydrophobicContact CB-CG2 3.46Å; A405-V416 VanDerWaalsContact CB-CG2 3.46Å
406	E	95.9	Very high	87	Confident	43 Å²	43	51.1 Å²	51.1	20%	0.201	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.2	172	-175	-166.1	150.4	0	0	109.7	F388 I389 H391 K408 K412 F413	F388-E406 CarbonylContact C-O 3.51Å; F388-E406 VanDerWaalsContact CA-O 3.28Å; F388-E406 WeakPolarHBondContact CA-O 3.13Å; I389-E406 HydrophobicContact CB-CB 4.42Å; I389-E406 PolarHBondContact N-O 2.87Å; I389-E406 PolarHBondContact O-N 2.8Å; H391-E406 IonicContact CD2-OE2 2.95Å; H391-E406 IonicContact CE1-OE2 2.65Å; H391-E406 WeakPolarHBondContact NE2-CB 3.41Å; H391-E406 IonicContact NE2-OE2 2.64Å; H391-E406 PolarHBondContact NE2-OE2 2.76Å; E406-K408 PolarHBondContact O-N 2.76Å; E406-K412 WeakPolarHBondContact CA-O 3.48Å; E406-F413 HydrophobicContact CB-CD1 4.07Å; E406-F413 HydrophobicContact CB-CE1 3.91Å; E406-F413 HydrophobicContact CG-CD1 4.48Å; E406-F413 HydrophobicContact CG-CE1 4.16Å; E406-F413 HydrophobicContact CG-CZ 4.44Å
407	L	94.3	Very high	87.9	Confident	9 Å²	9	46.3 Å²	46.3	5%	0.047	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	117.4	173	176.4	71.6	0	0	0	109.4	F383 D387 F388 S410 G411 K412 F414 M709 I712 A713	F383-L407 HydrophobicContact CD1-CD1 4.34Å; F383-L407 HydrophobicContact CE1-CD1 4.17Å; D387-L407 HydrophobicContact CB-CD1 4.27Å; F388-L407 HydrophobicContact CD1-CB 4.18Å; F388-L407 HydrophobicContact CD1-CD1 4.28Å; F388-L407 HydrophobicContact CE1-CB 3.98Å; F388-L407 HydrophobicContact CE1-CD1 3.86Å; F388-L407 HydrophobicContact CE2-CD1 4.33Å; F388-L407 HydrophobicContact CZ-CD1 3.88Å; L407-S410 WeakPolarHBondContact CB-OG 3.27Å; L407-S410 PolarHBondContact O-N 3.49Å; L407-S410 PolarHBondContact O-OG 2.97Å; L407-G411 PolarHBondContact O-N 3.07Å; L407-K412 PolarHBondContact N-O 3.49Å; L407-F414 HydrophobicContact CB-CD2 4.07Å; L407-F414 HydrophobicContact CB-CE2 3.62Å; L407-F414 HydrophobicContact CD2-CE2 4.32Å; L407-M709 HydrophobicContact CD1-CE 4.23Å; L407-M709 HydrophobicContact CD2-CE 3.78Å; L407-I712 HydrophobicContact CD2-CG2 4.05Å; L407-A713 HydrophobicContact CD2-CB 4.36Å
408	K	90.8	Very high	89.4	Confident	94 Å²	94	44 Å²	44	41%	0.409	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	146.8	-179.4	-69.4	174.2	-176.9	178.3	0	111.2	D386 D387 I389 E406 S410	D386-K408 WeakPolarHBondContact O-CD 3.4Å; D386-K408 VanDerWaalsContact O-CE 3.27Å; D386-K408 WeakPolarHBondContact O-CE 3.33Å; D386-K408 PolarHBondContact O-NZ 2.82Å; D387-K408 WeakPolarHBondContact O-CB 3.45Å; D387-K408 VanDerWaalsContact O-CG 3.27Å; D387-K408 WeakPolarHBondContact O-CG 3.3Å; D387-K408 PolarHBondContact O-N 3.42Å; I389-K408 HydrophobicContact CD1-CG 4.05Å; I389-K408 HydrophobicContact CG1-CD 4.36Å; I389-K408 HydrophobicContact CG1-CG 3.82Å; E406-K408 PolarHBondContact O-N 2.76Å; K408-S410 PolarHBondContact O-N 3.13Å
409	R	82.4	Confident	91.1	Very high	250 Å²	250	39.8 Å²	39.8	94%	0.943	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.7	-37.5	-175.9	-48	175.1	-177.8	179.2	0.1	114.9
410	S	86.5	Confident	92.2	Very high	34 Å²	34	38.6 Å²	38.6	24%	0.238	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-24.4	-178.6	77.3	0	0	0	0	115	L407 K408 K412	L407-S410 WeakPolarHBondContact CB-OG 3.27Å; L407-S410 PolarHBondContact O-N 3.49Å; L407-S410 PolarHBondContact O-OG 2.97Å; K408-S410 PolarHBondContact O-N 3.13Å; S410-K412 PolarHBondContact O-N 2.57Å; S410-K412 PolarHBondContact OG-N 3.33Å
411	G	85.5	Confident	92.5	Very high	39 Å²	39	37.9 Å²	37.9	40%	0.402	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	8.4	-173.3	0	0	0	0	0	115	L407	L407-G411 PolarHBondContact O-N 3.07Å
412	K	92.6	Very high	91.9	Very high	105 Å²	105	37.2 Å²	37.2	46%	0.457	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	138.5	-179.1	-70	-156.1	179.2	-167.6	0	112.6	E406 L407 S410 F414 I712	E406-K412 WeakPolarHBondContact CA-O 3.48Å; L407-K412 PolarHBondContact N-O 3.49Å; S410-K412 PolarHBondContact O-N 2.57Å; S410-K412 PolarHBondContact OG-N 3.33Å; K412-F414 HydrophobicContact CB-CE2 3.78Å; K412-F414 HydrophobicContact CB-CZ 4.19Å; K412-F414 WeakPolarHBondContact O-CD2 3.2Å; K412-F414 WeakPolarHBondContact O-CE2 3.33Å; K412-I712 HydrophobicContact CD-CD1 4.14Å; K412-I712 HydrophobicContact CD-CG1 4.33Å; K412-I712 HydrophobicContact CD-CG2 3.87Å; K412-I712 HydrophobicContact CG-CG2 4.46Å
413	F	95.6	Very high	91.2	Very high	56 Å²	56	36.7 Å²	36.7	25%	0.246	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	144.5	177.4	-64.2	-78.2	0	0	0	112.7	H391 L404 A405 E406 Y468	H391-F413 AromaticContact CD2-CE1 3.82Å; H391-F413 AromaticContact NE2-CE1 3.88Å; L404-F413 HydrophobicContact CD1-CB 3.95Å; L404-F413 HydrophobicContact CD1-CD1 3.79Å; L404-F413 HydrophobicContact CD1-CG 4.23Å; L404-F413 HydrophobicContact CG-CD1 4.24Å; A405-F413 CarbonylContact O-C 3.57Å; A405-F413 WeakPolarHBondContact O-CA 3.4Å; E406-F413 HydrophobicContact CB-CD1 4.07Å; E406-F413 HydrophobicContact CB-CE1 3.91Å; E406-F413 HydrophobicContact CG-CD1 4.48Å; E406-F413 HydrophobicContact CG-CE1 4.16Å; E406-F413 HydrophobicContact CG-CZ 4.44Å; F413-Y468 HydrophobicContact CB-CD1 4.09Å
414	F	96.7	Very high	90.4	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	154.4	-177.9	-63.9	-86.7	0	0	0	110.1	F388 A405 L407 K412 Y453 V465 M466 M709 I712	F388-F414 HydrophobicContact CE1-CD2 4.16Å; A405-F414 PolarHBondContact N-O 3.03Å; A405-F414 PolarHBondContact O-N 2.98Å; L407-F414 HydrophobicContact CB-CD2 4.07Å; L407-F414 HydrophobicContact CB-CE2 3.62Å; L407-F414 HydrophobicContact CD2-CE2 4.32Å; K412-F414 HydrophobicContact CB-CE2 3.78Å; K412-F414 HydrophobicContact CB-CZ 4.19Å; K412-F414 WeakPolarHBondContact O-CD2 3.2Å; K412-F414 WeakPolarHBondContact O-CE2 3.33Å; F414-Y453 AromaticContact CD1-CD2 3.91Å; F414-Y453 HydrophobicContact CD1-CD2 3.91Å; F414-Y453 HydrophobicContact CD1-CE2 4.32Å; F414-Y453 HydrophobicContact CD1-CG 4.18Å; F414-Y453 AromaticContact CE1-CD1 3.91Å; F414-Y453 HydrophobicContact CE1-CD1 3.91Å; F414-Y453 AromaticContact CE1-CD2 3.75Å; F414-Y453 HydrophobicContact CE1-CD2 3.75Å; F414-Y453 HydrophobicContact CE1-CE1 4.19Å; F414-Y453 HydrophobicContact CE1-CE2 4.03Å; F414-Y453 AromaticContact CE1-CG 3.67Å; F414-Y453 HydrophobicContact CE1-CG 3.67Å; F414-V465 HydrophobicContact CB-CG1 3.82Å; F414-V465 HydrophobicContact CD1-CG1 3.76Å; F414-V465 HydrophobicContact CE1-CG1 4.49Å; F414-V465 HydrophobicContact CG-CG1 3.81Å; F414-M466 WeakPolarHBondContact CA-O 3.49Å; F414-M466 WeakPolarHBondContact CB-O 3.2Å; F414-M709 HydrophobicContact CE1-SD 4.07Å; F414-M709 HydrophobicContact CZ-CE 4.26Å; F414-M709 HydrophobicContact CZ-SD 3.91Å; F414-I712 HydrophobicContact CZ-CD1 4.37Å; F414-I712 HydrophobicContact CZ-CG2 4.36Å
415	A	96.8	Very high	89.3	Confident	11 Å²	11	38.6 Å²	38.6	9%	0.091	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.6	165.9	0	0	0	0	0	109.4	L394 V402 F403 M466 E467	L394-A415 HydrophobicContact CD1-CB 4.41Å; V402-A415 HydrophobicContact CG1-CB 4.38Å; F403-A415 WeakPolarHBondContact O-CA 3.46Å; A415-M466 HydrophobicContact CB-CB 4.47Å; A415-M466 HydrophobicContact CB-CE 4.4Å; A415-M466 PolarHBondContact N-O 3.47Å; A415-M466 PolarHBondContact O-N 3.03Å; A415-E467 WeakPolarHBondContact CB-O 3.31Å
416	V	96.8	Very high	87.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	105.4	-179.2	178.3	0	0	0	0	110.3	V402 F403 A405 F463 F464 V465	V402-V416 WeakPolarHBondContact CA-O 3.43Å; F403-V416 PolarHBondContact N-O 2.66Å; F403-V416 PolarHBondContact O-N 3.15Å; A405-V416 HydrophobicContact CB-CB 4.18Å; A405-V416 HydrophobicContact CB-CG2 3.46Å; A405-V416 VanDerWaalsContact CB-CG2 3.46Å; V416-F463 HydrophobicContact CG1-CD1 3.95Å; V416-F464 CarbonylContact C-O 3.47Å; V416-F464 VanDerWaalsContact CA-O 3.3Å; V416-F464 WeakPolarHBondContact CA-O 3.32Å; V416-V465 HydrophobicContact CG2-CG1 4.32Å; V416-V465 HydrophobicContact CG2-CG2 4.23Å
417	K	95.5	Very high	86.4	Confident	25 Å²	25	41.3 Å²	41.3	11%	0.109	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	114.1	171.9	-179.6	177.9	179.7	-173	0	108.3	V402 L419 E436 F463 F464 M466 D530	V402-K417 HydrophobicContact CG2-CB 4.18Å; V402-K417 HydrophobicContact CG2-CG 4.22Å; K417-L419 HydrophobicContact CG-CD2 4.08Å; K417-E436 IonicContact NZ-OE1 2.67Å; K417-E436 PolarHBondContact NZ-OE1 3.19Å; K417-E436 IonicContact NZ-OE2 3.57Å; K417-E436 PolarHBondContact NZ-OE2 2.7Å; K417-F463 WeakPolarHBondContact O-CA 3.25Å; K417-F464 HydrophobicContact CB-CB 4.3Å; K417-F464 PolarHBondContact N-O 3.49Å; K417-F464 PolarHBondContact O-N 2.84Å; K417-M466 HydrophobicContact CB-CE 3.69Å; K417-D530 IonicContact NZ-OD1 3.34Å; K417-D530 PolarHBondContact NZ-OD1 2.87Å
418	A	94.8	Very high	85.2	Confident	6 Å²	6	43.7 Å²	43.7	5%	0.05	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	116.7	178.9	0	0	0	0	0	110.3	G400 K401 F403 L462 F463 L683	G400-A418 VanDerWaalsContact CA-O 3.24Å; G400-A418 WeakPolarHBondContact CA-O 3.33Å; K401-A418 PolarHBondContact N-O 3.17Å; K401-A418 PolarHBondContact O-N 3.26Å; F403-A418 HydrophobicContact CD2-CB 4.41Å; F403-A418 HydrophobicContact CE2-CB 4Å; A418-L462 WeakPolarHBondContact CA-O 3.12Å; A418-F463 HydrophobicContact CB-CD1 3.74Å; A418-F463 HydrophobicContact CB-CE1 3.7Å; A418-L683 HydrophobicContact CB-CD2 3.69Å
419	L	91.5	Very high	84.6	Confident	5 Å²	5	39.9 Å²	39.9	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	144.3	176.9	-51.5	-176.2	0	0	0	109.9	F399 K417 V424 T433 N461 L462 F464	F399-L419 HydrophobicContact CB-CD2 3.92Å; K417-L419 HydrophobicContact CG-CD2 4.08Å; L419-V424 HydrophobicContact CB-CG2 4.17Å; L419-V424 HydrophobicContact CD1-CG2 4.37Å; L419-T433 HydrophobicContact CD1-CG2 3.9Å; L419-N461 CarbonylContact O-C 3.49Å; L419-N461 VanDerWaalsContact O-CA 3.25Å; L419-N461 WeakPolarHBondContact O-CA 3.47Å; L419-L462 HydrophobicContact CB-CB 4.37Å; L419-L462 PolarHBondContact N-O 3.19Å; L419-L462 PolarHBondContact O-N 3.47Å; L419-F464 HydrophobicContact CD1-CE2 3.88Å; L419-F464 HydrophobicContact CG-CE2 4.38Å
420	K	87.6	Confident	84.7	Confident	47 Å²	47	28.3 Å²	28.3	20%	0.204	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	134	172.1	-57.3	-178.1	164.8	-168.9	0	111.2	D422 V423 V424 S684 C685	K420-D422 VanDerWaalsContact C-N 3.3Å; K420-D422 WeakPolarHBondContact CB-OD1 3.49Å; K420-D422 WeakPolarHBondContact CD-OD1 3.35Å; K420-D422 PolarHBondContact O-N 3.08Å; K420-V423 HydrophobicContact CB-CB 4.31Å; K420-V423 HydrophobicContact CB-CG2 4.12Å; K420-V423 HydrophobicContact CD-CG2 3.98Å; K420-V423 PolarHBondContact O-N 2.79Å; K420-V424 WeakPolarHBondContact O-CG2 3.41Å; K420-V424 PolarHBondContact O-N 3.3Å; K420-V424 VanDerWaalsContact O-N 3.14Å; K420-S684 WeakPolarHBondContact CE-O 3.46Å; K420-C685 PolarHBondContact NZ-O 3.46Å
421	K	86.3	Confident	84.6	Confident	3 Å²	3	32.2 Å²	32.2	1%	0.013	17%	0.169	C	C	.	.	H	α-helix	trans	-63.6	-34.9	177.7	-75.4	-179.6	164.3	177.8	0	112.9	L425 T458 E460 L462 F699	K421-L425 WeakPolarHBondContact O-CD1 3.44Å; K421-L425 WeakPolarHBondContact O-CG 3.3Å; K421-L425 PolarHBondContact O-N 3.45Å; K421-T458 WeakPolarHBondContact CE-O 3.25Å; K421-T458 PolarHBondContact NZ-O 3.3Å; K421-E460 WeakPolarHBondContact CB-O 3.26Å; K421-E460 PolarHBondContact N-O 2.79Å; K421-L462 HydrophobicContact CD-CD2 4.39Å; K421-L462 VanDerWaalsContact CE-CD2 3.41Å; K421-L462 HydrophobicContact CG-CD1 4.4Å; K421-L462 HydrophobicContact CG-CD2 4.08Å; K421-L462 HydrophobicContact CG-CG 3.87Å; K421-F699 HydrophobicContact CB-CE2 3.88Å; K421-F699 HydrophobicContact CB-CZ 4.33Å; K421-F699 HydrophobicContact CD-CD2 3.85Å; K421-F699 HydrophobicContact CD-CE2 3.98Å; K421-F699 HydrophobicContact CG-CD2 3.97Å; K421-F699 HydrophobicContact CG-CE2 3.68Å; K421-F699 HydrophobicContact CG-CZ 4.19Å
422	D	76.8	Confident	84.6	Confident	7 Å²	7	31.5 Å²	31.5	4%	0.037	16%	0.158	C	C	.	.	H	α-helix	trans	-61	-61.1	176.4	58.1	-1.2	0	0	0	109.8	K420 V424 L425 M426 L690	K420-D422 VanDerWaalsContact C-N 3.3Å; K420-D422 WeakPolarHBondContact CB-OD1 3.49Å; K420-D422 WeakPolarHBondContact CD-OD1 3.35Å; K420-D422 PolarHBondContact O-N 3.08Å; D422-V424 VanDerWaalsContact C-N 3.35Å; D422-V424 PolarHBondContact O-N 3.31Å; D422-L425 CarbonylContact O-C 3.52Å; D422-L425 WeakPolarHBondContact O-CA 3.46Å; D422-L425 WeakPolarHBondContact O-CB 3.43Å; D422-L425 PolarHBondContact O-N 3.45Å; D422-M426 HydrophobicContact CB-CE 3.69Å; D422-M426 VanDerWaalsContact O-CG 3.24Å; D422-M426 WeakPolarHBondContact O-CG 3.33Å; D422-M426 PolarHBondContact O-N 3.18Å; D422-L690 HydrophobicContact CB-CB 4.25Å; D422-L690 HydrophobicContact CB-CD1 4.07Å; D422-L690 HydrophobicContact CB-CD2 3.84Å; D422-L690 HydrophobicContact CB-CG 4.26Å
423	V	78.8	Confident	84.5	Confident	29 Å²	29	26.8 Å²	26.8	18%	0.176	14%	0.138	C	C	.	.	H	α-helix	trans	-50.8	-48.9	179.3	178.5	0	0	0	0	112.3	F399 K420 L425 M426 D427	F399-V423 HydrophobicContact CD1-CG1 4.41Å; K420-V423 HydrophobicContact CB-CB 4.31Å; K420-V423 HydrophobicContact CB-CG2 4.12Å; K420-V423 HydrophobicContact CD-CG2 3.98Å; K420-V423 PolarHBondContact O-N 2.79Å; V423-L425 PolarHBondContact O-N 3.15Å; V423-M426 HydrophobicContact CG2-CE 4.42Å; V423-M426 HydrophobicContact CG2-SD 4.49Å; V423-M426 WeakPolarHBondContact O-CB 3.27Å; V423-M426 PolarHBondContact O-N 3.01Å; V423-D427 PolarHBondContact O-N 3.45Å; V423-D427 VanDerWaalsContact O-N 3.07Å
424	V	79.2	Confident	84.2	Confident	1 Å²	1	25.1 Å²	25.1	1%	0.006	13%	0.131	C	C	.	.	H	α-helix	trans	-57.5	-33	178	171.9	0	0	0	0	112.5	L419 K420 D422 D428 D429 V430 T433 F699	L419-V424 HydrophobicContact CB-CG2 4.17Å; L419-V424 HydrophobicContact CD1-CG2 4.37Å; K420-V424 WeakPolarHBondContact O-CG2 3.41Å; K420-V424 PolarHBondContact O-N 3.3Å; K420-V424 VanDerWaalsContact O-N 3.14Å; D422-V424 VanDerWaalsContact C-N 3.35Å; D422-V424 PolarHBondContact O-N 3.31Å; V424-D428 PolarHBondContact O-N 2.84Å; V424-D429 PolarHBondContact O-N 3.06Å; V424-V430 HydrophobicContact CG1-CG2 4.14Å; V424-T433 WeakPolarHBondContact CG1-OG1 3.33Å; V424-F699 HydrophobicContact CB-CZ 4.47Å; V424-F699 HydrophobicContact CG1-CE1 3.94Å; V424-F699 HydrophobicContact CG1-CZ 4.05Å
425	L	74	Confident	83.9	Confident	43 Å²	43	25.7 Å²	25.7	23%	0.225	14%	0.135	C	C	.	.	H	α-helix	trans	-81.2	-29.7	174.5	-71.4	163.3	0	0	0	113.5	K421 D422 V423 D427 V430 V694 F699	K421-L425 WeakPolarHBondContact O-CD1 3.44Å; K421-L425 WeakPolarHBondContact O-CG 3.3Å; K421-L425 PolarHBondContact O-N 3.45Å; D422-L425 CarbonylContact O-C 3.52Å; D422-L425 WeakPolarHBondContact O-CA 3.46Å; D422-L425 WeakPolarHBondContact O-CB 3.43Å; D422-L425 PolarHBondContact O-N 3.45Å; V423-L425 PolarHBondContact O-N 3.15Å; L425-D427 VanDerWaalsContact C-N 3.27Å; L425-D427 PolarHBondContact O-N 3.06Å; L425-V430 HydrophobicContact CD2-CG2 3.44Å; L425-V430 VanDerWaalsContact CD2-CG2 3.44Å; L425-V430 HydrophobicContact CG-CG2 4.16Å; L425-V694 HydrophobicContact CD1-CB 4.05Å; L425-V694 HydrophobicContact CD1-CG1 3.45Å; L425-V694 VanDerWaalsContact CD1-CG1 3.45Å; L425-V694 HydrophobicContact CD1-CG2 3.57Å; L425-F699 HydrophobicContact CD1-CE2 3.99Å; L425-F699 HydrophobicContact CD1-CZ 4.3Å; L425-F699 HydrophobicContact CD2-CZ 4.41Å; L425-F699 HydrophobicContact CG-CE2 4.25Å; L425-F699 HydrophobicContact CG-CZ 4.05Å
426	M	65.9	Low	83.8	Confident	34 Å²	34	25.5 Å²	25.5	17%	0.167	13%	0.132	C	C	.	.	H	α-helix	trans	-63.2	-37.2	173.7	-51.3	-178.4	-170	0	0	111.3	N190 K191 D422 V423 L690	N190-M426 HydrophobicContact CB-CB 3.72Å; N190-M426 HydrophobicContact CB-CG 3.58Å; N190-M426 HydrophobicContact CB-SD 4.07Å; N190-M426 WeakPolarHBondContact ND2-CE 3.33Å; N190-M426 WeakPolarHBondContact ND2-CG 3.43Å; N190-M426 PolarHBondContact ND2-SD 3.21Å; K191-M426 VanDerWaalsContact CD-O 3.32Å; K191-M426 WeakPolarHBondContact CD-O 3.47Å; K191-M426 PolarHBondContact NZ-O 3.5Å; D422-M426 HydrophobicContact CB-CE 3.69Å; D422-M426 VanDerWaalsContact O-CG 3.24Å; D422-M426 WeakPolarHBondContact O-CG 3.33Å; D422-M426 PolarHBondContact O-N 3.18Å; V423-M426 HydrophobicContact CG2-CE 4.42Å; V423-M426 HydrophobicContact CG2-SD 4.49Å; V423-M426 WeakPolarHBondContact O-CB 3.27Å; V423-M426 PolarHBondContact O-N 3.01Å; M426-L690 HydrophobicContact CE-CD1 3.61Å; M426-L690 HydrophobicContact CE-CD2 4.44Å
427	D	66.5	Low	83.6	Confident	65 Å²	65	27.5 Å²	27.5	35%	0.348	14%	0.14	S	C	.	.	H	α-helix	trans	-95.2	-5.2	-175	-67	-34.3	0	0	0	114.7	K191 F399 V423 L425 D429	K191-D427 IonicContact NZ-OD1 4Å; K191-D427 PolarHBondContact NZ-OD1 3.23Å; F399-D427 HydrophobicContact CE1-CB 4.06Å; V423-D427 PolarHBondContact O-N 3.45Å; V423-D427 VanDerWaalsContact O-N 3.07Å; L425-D427 VanDerWaalsContact C-N 3.27Å; L425-D427 PolarHBondContact O-N 3.06Å; D427-D429 VanDerWaalsContact C-N 3.3Å; D427-D429 WeakPolarHBondContact CB-OD2 3.29Å
428	D	69.5	Low	83.5	Confident	60 Å²	60	29.9 Å²	29.9	32%	0.321	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	28.7	179.7	-143	60.6	0	0	0	112.6	K205 V424	K205-D428 IonicContact NZ-OD1 3.08Å; K205-D428 PolarHBondContact NZ-OD1 3.14Å; V424-D428 PolarHBondContact O-N 2.84Å
429	D	77.8	Confident	83.5	Confident	13 Å²	13	29.6 Å²	29.6	7%	0.07	15%	0.146	C	C	.	.			trans	-100.6	18.5	-172.5	-78.5	-46.3	0	0	0	114.3	K156 F399 V424 D427 E431 C432 T433	K156-D429 IonicContact NZ-OD1 2.69Å; K156-D429 PolarHBondContact NZ-OD1 2.88Å; F399-D429 HydrophobicContact CE1-CB 4.41Å; F399-D429 WeakPolarHBondContact CE1-OD2 3.23Å; F399-D429 VanDerWaalsContact CZ-OD2 3.25Å; F399-D429 WeakPolarHBondContact CZ-OD2 3.24Å; V424-D429 PolarHBondContact O-N 3.06Å; D427-D429 VanDerWaalsContact C-N 3.3Å; D427-D429 WeakPolarHBondContact CB-OD2 3.29Å; D429-E431 VanDerWaalsContact C-N 3.34Å; D429-E431 PolarHBondContact O-N 3.42Å; D429-C432 HydrophobicContact CB-CB 4.2Å; D429-C432 WeakPolarHBondContact O-CB 3.04Å; D429-C432 PolarHBondContact O-N 3.48Å; D429-C432 PolarHBondContact OD1-SG 3Å; D429-T433 PolarHBondContact O-N 3.3Å; D429-T433 PolarHBondContact O-OG1 3.36Å
430	V	84.8	Confident	83.6	Confident	8 Å²	8	29.5 Å²	29.5	5%	0.048	15%	0.145	C	C	.	.	H	α-helix	trans	-55.5	-49.2	173.3	179.4	0	0	0	0	110.8	V424 L425 C432 T433 L434 M698 F699	V424-V430 HydrophobicContact CG1-CG2 4.14Å; L425-V430 HydrophobicContact CD2-CG2 3.44Å; L425-V430 VanDerWaalsContact CD2-CG2 3.44Å; L425-V430 HydrophobicContact CG-CG2 4.16Å; V430-C432 PolarHBondContact O-N 2.86Å; V430-T433 WeakPolarHBondContact O-CB 3.47Å; V430-T433 PolarHBondContact O-N 3.11Å; V430-L434 HydrophobicContact CG1-CD1 4.16Å; V430-L434 WeakPolarHBondContact O-CG 3.45Å; V430-L434 PolarHBondContact O-N 3.43Å; V430-M698 HydrophobicContact CB-CE 4.49Å; V430-M698 HydrophobicContact CG1-CB 4.34Å; V430-M698 HydrophobicContact CG1-CE 4.28Å; V430-M698 WeakPolarHBondContact CG1-O 3.22Å; V430-M698 HydrophobicContact CG2-CE 4.26Å; V430-F699 HydrophobicContact CB-CE1 4.31Å; V430-F699 HydrophobicContact CG1-CD1 4.2Å; V430-F699 HydrophobicContact CG1-CE1 3.88Å; V430-F699 HydrophobicContact CG2-CE1 3.97Å; V430-F699 HydrophobicContact CG2-CZ 3.98Å
431	E	84	Confident	83.7	Confident	116 Å²	116	28.6 Å²	28.6	54%	0.542	15%	0.145	S	C	.	.	H	α-helix	trans	-63.7	-41.1	178.7	-74.6	-56.7	131.7	0	0	111.9	D429 T433 L434 V435	D429-E431 VanDerWaalsContact C-N 3.34Å; D429-E431 PolarHBondContact O-N 3.42Å; E431-T433 VanDerWaalsContact C-N 3.28Å; E431-T433 PolarHBondContact O-N 3.16Å; E431-L434 PolarHBondContact O-N 3.25Å; E431-V435 WeakPolarHBondContact O-CB 3.4Å; E431-V435 WeakPolarHBondContact O-CG2 3.47Å; E431-V435 PolarHBondContact O-N 3.41Å
432	C	84.9	Confident	83.8	Confident	23 Å²	23	31.9 Å²	31.9	16%	0.155	16%	0.162	C	C	.	.	H	α-helix	trans	-58.3	-42	174	-74.9	0	0	0	0	111.9	K156 D429 V430 L434 V435 E436 G532	K156-C432 PolarHBondContact NZ-SG 3.44Å; D429-C432 HydrophobicContact CB-CB 4.2Å; D429-C432 WeakPolarHBondContact O-CB 3.04Å; D429-C432 PolarHBondContact O-N 3.48Å; D429-C432 PolarHBondContact OD1-SG 3Å; V430-C432 PolarHBondContact O-N 2.86Å; C432-L434 VanDerWaalsContact C-N 3.35Å; C432-L434 PolarHBondContact O-N 3.16Å; C432-V435 PolarHBondContact O-N 3.32Å; C432-E436 WeakPolarHBondContact O-CB 3.48Å; C432-E436 PolarHBondContact O-N 3.49Å; C432-G532 WeakPolarHBondContact CB-O 3.29Å
433	T	90.4	Very high	84.2	Confident	6 Å²	6	31.6 Å²	31.6	4%	0.037	16%	0.161	C	C	.	.	H	α-helix	trans	-66.6	-35.9	178	-51.3	0	0	0	0	112.2	L419 V424 D429 V430 E431 R437 L462 F464 F702	L419-T433 HydrophobicContact CD1-CG2 3.9Å; V424-T433 WeakPolarHBondContact CG1-OG1 3.33Å; D429-T433 PolarHBondContact O-N 3.3Å; D429-T433 PolarHBondContact O-OG1 3.36Å; V430-T433 WeakPolarHBondContact O-CB 3.47Å; V430-T433 PolarHBondContact O-N 3.11Å; E431-T433 VanDerWaalsContact C-N 3.28Å; E431-T433 PolarHBondContact O-N 3.16Å; T433-R437 PolarHBondContact O-N 2.97Å; T433-L462 HydrophobicContact CG2-CD1 3.67Å; T433-F464 HydrophobicContact CG2-CE2 4.12Å; T433-F464 HydrophobicContact CG2-CZ 3.93Å; T433-F702 HydrophobicContact CG2-CE2 4Å
434	L	90.3	Very high	84.5	Confident	21 Å²	21	34.6 Å²	34.6	11%	0.11	17%	0.169	C	C	.	.	H	α-helix	trans	-76.9	-34	176.2	-66.5	176.4	0	0	0	112.7	V430 E431 C432 R438 F702	V430-L434 HydrophobicContact CG1-CD1 4.16Å; V430-L434 WeakPolarHBondContact O-CG 3.45Å; V430-L434 PolarHBondContact O-N 3.43Å; E431-L434 PolarHBondContact O-N 3.25Å; C432-L434 VanDerWaalsContact C-N 3.35Å; C432-L434 PolarHBondContact O-N 3.16Å; L434-R438 WeakPolarHBondContact O-CG 3.23Å; L434-R438 PolarHBondContact O-N 2.9Å; L434-R438 VanDerWaalsContact O-N 3.09Å; L434-F702 HydrophobicContact CD2-CB 4.47Å; L434-F702 HydrophobicContact CD2-CD2 4.29Å
435	V	90.6	Very high	84.6	Confident	17 Å²	17	40.6 Å²	40.6	10%	0.103	20%	0.197	C	C	.	.	H	α-helix	trans	-61.1	-53.2	169	170	0	0	0	0	109.3	E431 C432 R437 R438 V439 C534 E536	E431-V435 WeakPolarHBondContact O-CB 3.4Å; E431-V435 WeakPolarHBondContact O-CG2 3.47Å; E431-V435 PolarHBondContact O-N 3.41Å; C432-V435 PolarHBondContact O-N 3.32Å; V435-R437 VanDerWaalsContact C-N 3.26Å; V435-R437 PolarHBondContact O-N 2.98Å; V435-R438 VanDerWaalsContact CG2-NH2 3.29Å; V435-R438 WeakPolarHBondContact O-CA 3.32Å; V435-R438 PolarHBondContact O-N 2.87Å; V435-V439 HydrophobicContact CG1-CG2 3.99Å; V435-V439 WeakPolarHBondContact O-CG2 3.34Å; V435-V439 PolarHBondContact O-N 3.18Å; V435-C534 HydrophobicContact CG1-CB 3.8Å; V435-E536 HydrophobicContact CG1-CG 4.19Å; V435-E536 WeakPolarHBondContact CG2-OE2 3.34Å
436	E	93.6	Very high	85.5	Confident	6 Å²	6	39.2 Å²	39.2	3%	0.028	19%	0.19	C	C	.	.	H	α-helix	trans	-52.2	-47.1	179	-173.7	178.2	172.9	0	0	110.8	K417 C432 R438 V439 L440 F464 F531	K417-E436 IonicContact NZ-OE1 2.67Å; K417-E436 PolarHBondContact NZ-OE1 3.19Å; K417-E436 IonicContact NZ-OE2 3.57Å; K417-E436 PolarHBondContact NZ-OE2 2.7Å; C432-E436 WeakPolarHBondContact O-CB 3.48Å; C432-E436 PolarHBondContact O-N 3.49Å; E436-R438 PolarHBondContact O-N 2.96Å; E436-V439 PolarHBondContact O-N 3.29Å; E436-L440 HydrophobicContact CG-CD1 3.84Å; E436-L440 HydrophobicContact CG-CG 4.45Å; E436-L440 VanDerWaalsContact O-CB 3.23Å; E436-L440 WeakPolarHBondContact O-CB 3.36Å; E436-L440 WeakPolarHBondContact O-CG 3.3Å; E436-L440 PolarHBondContact O-N 3.47Å; E436-F464 HydrophobicContact CB-CE1 4.4Å; E436-F464 HydrophobicContact CB-CZ 4.41Å; E436-F464 HydrophobicContact CG-CE1 4.12Å; E436-F464 HydrophobicContact CG-CZ 4.35Å; E436-F531 HydrophobicContact CG-CB 4.12Å
437	R	93.6	Very high	86.9	Confident	42 Å²	42	39.3 Å²	39.3	16%	0.158	19%	0.193	C	C	.	.	H	α-helix	trans	-59.2	-43	175.7	-168.8	-143.8	60.7	73.3	-12.8	112.9	T433 V435 S441 T455 F464 F702	T433-R437 PolarHBondContact O-N 2.97Å; V435-R437 VanDerWaalsContact C-N 3.26Å; V435-R437 PolarHBondContact O-N 2.98Å; R437-S441 PolarHBondContact NH1-OG 2.54Å; R437-S441 PolarHBondContact O-N 2.96Å; R437-S441 PolarHBondContact O-OG 2.87Å; R437-T455 HydrophobicContact CG-CG2 4.11Å; R437-F464 HydrophobicContact CB-CE1 3.93Å; R437-F464 HydrophobicContact CG-CE1 4.46Å; R437-F702 HydrophobicContact CB-CE2 4.42Å; R437-F702 WeakPolarHBondContact CD-O 3.19Å; R437-F702 HydrophobicContact CG-CE2 4.46Å
438	R	93.6	Very high	88.4	Confident	76 Å²	76	36.2 Å²	36.2	29%	0.287	18%	0.176	S	C	.	.	H	α-helix	trans	-67.4	-50.3	178.6	-77.2	-174.8	-61	-99.1	2.4	111.4	L434 V435 E436 L440 S441 L442 E536	L434-R438 WeakPolarHBondContact O-CG 3.23Å; L434-R438 PolarHBondContact O-N 2.9Å; L434-R438 VanDerWaalsContact O-N 3.09Å; V435-R438 VanDerWaalsContact CG2-NH2 3.29Å; V435-R438 WeakPolarHBondContact O-CA 3.32Å; V435-R438 PolarHBondContact O-N 2.87Å; E436-R438 PolarHBondContact O-N 2.96Å; R438-L440 PolarHBondContact O-N 3.45Å; R438-S441 WeakPolarHBondContact O-CB 3.06Å; R438-S441 PolarHBondContact O-N 3.33Å; R438-L442 PolarHBondContact O-N 2.97Å; R438-E536 WeakPolarHBondContact CB-OE1 3.44Å; R438-E536 WeakPolarHBondContact CD-OE1 3.19Å; R438-E536 IonicContact CZ-OE1 2.74Å; R438-E536 IonicContact CZ-OE2 2.95Å; R438-E536 VanDerWaalsContact NE-CD 3.3Å; R438-E536 IonicContact NE-OE1 2.71Å; R438-E536 PolarHBondContact NE-OE1 3.22Å; R438-E536 IonicContact NE-OE2 3.15Å; R438-E536 PolarHBondContact NE-OE2 2.85Å; R438-E536 IonicContact NH2-OE2 3.98Å; R438-E536 PolarHBondContact NH2-OE2 2.97Å
439	V	93.6	Very high	89.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.3	-47.7	179.9	178.4	0	0	0	0	110.9	V435 E436 S441 L442 A443 L503 I508 F531 C534 E536	V435-V439 HydrophobicContact CG1-CG2 3.99Å; V435-V439 WeakPolarHBondContact O-CG2 3.34Å; V435-V439 PolarHBondContact O-N 3.18Å; E436-V439 PolarHBondContact O-N 3.29Å; V439-S441 PolarHBondContact O-N 3.25Å; V439-L442 PolarHBondContact O-N 3.09Å; V439-A443 WeakPolarHBondContact O-CB 3.48Å; V439-A443 PolarHBondContact O-N 2.9Å; V439-L503 HydrophobicContact CG1-CD2 3.94Å; V439-I508 HydrophobicContact CG1-CD1 4.36Å; V439-I508 HydrophobicContact CG1-CG2 4.34Å; V439-I508 HydrophobicContact CG2-CD1 4.11Å; V439-I508 HydrophobicContact CG2-CG2 4Å; V439-F531 HydrophobicContact CB-CB 4.17Å; V439-F531 HydrophobicContact CG1-CB 3.94Å; V439-F531 HydrophobicContact CG1-CD1 3.51Å; V439-F531 HydrophobicContact CG1-CE1 4.23Å; V439-F531 HydrophobicContact CG1-CG 3.83Å; V439-C534 HydrophobicContact CG2-CB 3.92Å; V439-E536 HydrophobicContact CG2-CG 4.08Å
440	L	93	Very high	90.6	Very high	2 Å²	2	33 Å²	33	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-27.5	174.9	-81.9	172.8	0	0	0	114	E436 R438 T450 L452 F464 M466 F531	E436-L440 HydrophobicContact CG-CD1 3.84Å; E436-L440 HydrophobicContact CG-CG 4.45Å; E436-L440 VanDerWaalsContact O-CB 3.23Å; E436-L440 WeakPolarHBondContact O-CB 3.36Å; E436-L440 WeakPolarHBondContact O-CG 3.3Å; E436-L440 PolarHBondContact O-N 3.47Å; R438-L440 PolarHBondContact O-N 3.45Å; L440-T450 WeakPolarHBondContact CD2-O 3.29Å; L440-L452 HydrophobicContact CB-CB 3.91Å; L440-L452 HydrophobicContact CB-CD2 3.77Å; L440-L452 HydrophobicContact CB-CG 4.34Å; L440-L452 HydrophobicContact CD1-CD1 4.42Å; L440-F464 HydrophobicContact CD1-CD1 3.82Å; L440-F464 HydrophobicContact CD1-CE1 4.17Å; L440-M466 HydrophobicContact CD1-SD 4.38Å; L440-F531 HydrophobicContact CD2-CD2 3.4Å; L440-F531 HydrophobicContact CD2-CE2 3.52Å; L440-F531 HydrophobicContact CG-CD2 3.71Å; L440-F531 HydrophobicContact CG-CE2 4.32Å; L440-F531 HydrophobicContact CG-CG 4.48Å
441	S	90.3	Very high	91.1	Very high	29 Å²	29	34 Å²	34	20%	0.203	16%	0.163	C	C	.	.	H	α-helix	trans	-73.9	-31.1	174.9	-54.2	0	0	0	0	112.1	R437 R438 V439	R437-S441 PolarHBondContact NH1-OG 2.54Å; R437-S441 PolarHBondContact O-N 2.96Å; R437-S441 PolarHBondContact O-OG 2.87Å; R438-S441 WeakPolarHBondContact O-CB 3.06Å; R438-S441 PolarHBondContact O-N 3.33Å; V439-S441 PolarHBondContact O-N 3.25Å
442	L	88.5	Confident	91.7	Very high	71 Å²	71	28.5 Å²	28.5	37%	0.372	14%	0.138	S	C	.	.	H	α-helix	trans	-81.9	-32	176	-64.3	170.1	0	0	0	112.1	R438 V439 W444 E445 I508	R438-L442 PolarHBondContact O-N 2.97Å; V439-L442 PolarHBondContact O-N 3.09Å; L442-W444 PolarHBondContact O-N 3.17Å; L442-E445 PolarHBondContact O-N 3.23Å; L442-I508 HydrophobicContact CD1-CD1 4.01Å
443	A	85.4	Confident	92.1	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.008	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-58.6	-18.5	-178.4	0	0	0	0	0	114.6	V439 E445 N446 L449	V439-A443 WeakPolarHBondContact O-CB 3.48Å; V439-A443 PolarHBondContact O-N 2.9Å; A443-E445 PolarHBondContact O-N 3.33Å; A443-E445 VanDerWaalsContact O-N 3.17Å; A443-N446 PolarHBondContact O-N 2.87Å; A443-L449 HydrophobicContact CB-CB 3.78Å; A443-L449 HydrophobicContact CB-CD1 3.83Å; A443-L449 HydrophobicContact CB-CG 4.48Å
444	W	85.4	Confident	92.4	Very high	92 Å²	92	29.3 Å²	29.3	35%	0.348	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-57.6	-26.7	178.3	-172.5	-90.8	0	0	0	113.9	L442 N446 H451 Y453	L442-W444 PolarHBondContact O-N 3.17Å; W444-N446 VanDerWaalsContact C-N 3.29Å; W444-N446 PolarHBondContact O-N 3.36Å; W444-H451 HydrophobicContact CE3-CB 3.7Å; W444-H451 AromaticContact CE3-CG 3.94Å; W444-H451 HydrophobicContact CZ3-CB 3.76Å; W444-Y453 HydrophobicContact CH2-CD1 4.5Å; W444-Y453 AromaticContact CH2-CE1 3.99Å; W444-Y453 HydrophobicContact CH2-CE1 3.99Å; W444-Y453 HydrophobicContact CZ3-CE1 4.28Å; W444-Y453 HydrophobicContact CZ3-CE2 4.37Å
445	E	82	Confident	92.6	Very high	128 Å²	128	28.5 Å²	28.5	60%	0.598	13%	0.133	S	C	*	.	G	3₁₀ helix	trans	-72.4	-19	176.8	-65.1	176.3	179.7	0	0	113.4	L442 A443 F502 K506	L442-E445 PolarHBondContact O-N 3.23Å; A443-E445 PolarHBondContact O-N 3.33Å; A443-E445 VanDerWaalsContact O-N 3.17Å; E445-F502 HydrophobicContact CB-CE2 3.9Å; E445-F502 HydrophobicContact CB-CZ 3.89Å; E445-K506 IonicContact OE1-NZ 3.58Å; E445-K506 WeakPolarHBondContact OE2-CE 3.2Å; E445-K506 IonicContact OE2-NZ 3.88Å; E445-K506 PolarHBondContact OE2-NZ 2.82Å
446	N	92.8	Very high	92.9	Very high	14 Å²	14	28.2 Å²	28.2	8%	0.075	13%	0.13	C	C	.	.			trans	-108.8	131.2	-172.1	-169.6	-78.2	0	0	0	111.8	A443 W444 F448 L449 H451 F502	A443-N446 PolarHBondContact O-N 2.87Å; W444-N446 VanDerWaalsContact C-N 3.29Å; W444-N446 PolarHBondContact O-N 3.36Å; N446-F448 VanDerWaalsContact C-N 3.29Å; N446-F448 PolarHBondContact O-N 3.41Å; N446-F448 WeakPolarHBondContact OD1-CA 3.15Å; N446-F448 WeakPolarHBondContact OD1-CB 3.42Å; N446-F448 PolarHBondContact OD1-N 3.37Å; N446-L449 HydrophobicContact CB-CB 4.41Å; N446-L449 HydrophobicContact CB-CD1 3.99Å; N446-L449 HydrophobicContact CB-CG 3.95Å; N446-H451 PolarHBondContact O-NE2 3.48Å; N446-F502 HydrophobicContact CB-CD1 3.95Å; N446-F502 HydrophobicContact CB-CD2 4.13Å; N446-F502 HydrophobicContact CB-CE1 4.1Å; N446-F502 HydrophobicContact CB-CE2 4.28Å; N446-F502 HydrophobicContact CB-CG 3.96Å; N446-F502 HydrophobicContact CB-CZ 4.26Å; N446-F502 VanDerWaalsContact ND2-CB 3.32Å; N446-F502 WeakPolarHBondContact ND2-CB 3.41Å
447	P	95.3	Very high	92.9	Very high	35 Å²	35	30.5 Å²	30.5	23%	0.227	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-20.5	-178.5	27.9	-34.5	0	0	0	114.2	K527 R653	P447-K527 WeakPolarHBondContact O-CD 3.23Å; P447-K527 WeakPolarHBondContact O-CE 3.3Å; P447-K527 PolarHBondContact O-NZ 2.96Å; P447-R653 HydrophobicContact CB-CG 4.18Å
448	F	97.8	Very high	92.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	9.3	-174.3	-50.4	-56.6	0	0	0	114.2	N446 E495 C498 I526 K527 I528 L650 R653	N446-F448 VanDerWaalsContact C-N 3.29Å; N446-F448 PolarHBondContact O-N 3.41Å; N446-F448 WeakPolarHBondContact OD1-CA 3.15Å; N446-F448 WeakPolarHBondContact OD1-CB 3.42Å; N446-F448 PolarHBondContact OD1-N 3.37Å; F448-E495 HydrophobicContact CD1-CB 3.88Å; F448-E495 HydrophobicContact CD1-CG 4.08Å; F448-E495 HydrophobicContact CD2-CB 4.42Å; F448-E495 HydrophobicContact CE1-CB 3.96Å; F448-E495 VanDerWaalsContact CE1-CD 3.43Å; F448-E495 HydrophobicContact CE1-CG 3.63Å; F448-E495 WeakPolarHBondContact CE1-OE1 3.34Å; F448-E495 HydrophobicContact CE2-CB 4.46Å; F448-E495 HydrophobicContact CE2-CG 4.47Å; F448-E495 HydrophobicContact CG-CB 4.12Å; F448-E495 HydrophobicContact CZ-CB 4.22Å; F448-E495 HydrophobicContact CZ-CG 3.83Å; F448-C498 HydrophobicContact CD2-CB 3.65Å; F448-C498 HydrophobicContact CE2-CB 3.74Å; F448-I526 WeakPolarHBondContact CA-O 3.38Å; F448-K527 CarbonylContact O-C 3.6Å; F448-K527 WeakPolarHBondContact O-CA 3.35Å; F448-I528 PolarHBondContact O-N 2.93Å; F448-L650 HydrophobicContact CZ-CG 4.33Å; F448-L650 WeakPolarHBondContact CZ-O 3.29Å; F448-R653 HydrophobicContact CE1-CG 4Å; F448-R653 HydrophobicContact CZ-CG 4.26Å
449	L	97.4	Very high	92.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-111.8	148.2	171.8	-57.3	-175.4	0	0	0	110	A443 N446 H451 F502 L503 K527 I528 F531	A443-L449 HydrophobicContact CB-CB 3.78Å; A443-L449 HydrophobicContact CB-CD1 3.83Å; A443-L449 HydrophobicContact CB-CG 4.48Å; N446-L449 HydrophobicContact CB-CB 4.41Å; N446-L449 HydrophobicContact CB-CD1 3.99Å; N446-L449 HydrophobicContact CB-CG 3.95Å; L449-H451 PolarHBondContact O-CD2 3.35Å; L449-H451 PolarHBondContact O-N 2.62Å; L449-F502 HydrophobicContact CD1-CD1 3.62Å; L449-F502 HydrophobicContact CD1-CE1 3.89Å; L449-L503 HydrophobicContact CD1-CD2 3.81Å; L449-L503 HydrophobicContact CD1-CG 4.11Å; L449-L503 HydrophobicContact CD2-CD1 4.37Å; L449-K527 VanDerWaalsContact O-CD 3.25Å; L449-K527 WeakPolarHBondContact O-CD 3.34Å; L449-K527 PolarHBondContact O-NZ 2.94Å; L449-I528 HydrophobicContact CD2-CB 3.83Å; L449-I528 HydrophobicContact CD2-CD1 4.01Å; L449-I528 HydrophobicContact CD2-CG1 4.25Å; L449-F531 HydrophobicContact CB-CZ 4.07Å; L449-F531 HydrophobicContact CD2-CE1 4.15Å; L449-F531 HydrophobicContact CD2-CZ 4.07Å; L449-F531 HydrophobicContact CG-CZ 4.46Å
450	T	96.4	Very high	92.3	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.031	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-64.7	129.8	176.2	-57.6	0	0	0	0	111.6	L440 M466 E467 L469 I528 A529	L440-T450 WeakPolarHBondContact CD2-O 3.29Å; T450-M466 HydrophobicContact CG2-CB 4.1Å; T450-M466 HydrophobicContact CG2-CG 4.48Å; T450-M466 HydrophobicContact CG2-SD 4.28Å; T450-E467 WeakPolarHBondContact CA-OE1 3.41Å; T450-E467 HydrophobicContact CG2-CG 4.09Å; T450-L469 HydrophobicContact CG2-CD1 4.25Å; T450-I528 PolarHBondContact N-O 3.35Å; T450-I528 PolarHBondContact OG1-O 2.97Å; T450-A529 WeakPolarHBondContact OG1-CA 3.48Å; T450-A529 WeakPolarHBondContact OG1-CB 3.44Å
451	H	94.9	Very high	92.2	Very high	30 Å²	30	38.4 Å²	38.4	14%	0.139	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-90.4	133.3	-174.3	-70.5	176	0	0	0	113	W444 N446 L449 M466 E467 K527	W444-H451 HydrophobicContact CE3-CB 3.7Å; W444-H451 AromaticContact CE3-CG 3.94Å; W444-H451 HydrophobicContact CZ3-CB 3.76Å; N446-H451 PolarHBondContact O-NE2 3.48Å; L449-H451 PolarHBondContact O-CD2 3.35Å; L449-H451 PolarHBondContact O-N 2.62Å; H451-M466 VanDerWaalsContact O-CA 3.29Å; H451-M466 WeakPolarHBondContact O-CA 3.03Å; H451-E467 HydrophobicContact CB-CG 4.2Å; H451-E467 WeakPolarHBondContact CB-OE1 3.36Å; H451-E467 IonicContact CG-OE1 2.83Å; H451-E467 PolarHBondContact N-OE1 2.81Å; H451-E467 PolarHBondContact O-N 3.3Å; H451-K527 PolarHBondContact CE1-NZ 3.1Å; H451-K527 PolarHBondContact NE2-NZ 3.35Å
452	L	95.4	Very high	92.4	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.8	178.5	-178.6	72.1	0	0	0	112	L440 T455 F464 M466 F704 N706	L440-L452 HydrophobicContact CB-CB 3.91Å; L440-L452 HydrophobicContact CB-CD2 3.77Å; L440-L452 HydrophobicContact CB-CG 4.34Å; L440-L452 HydrophobicContact CD1-CD1 4.42Å; L452-T455 HydrophobicContact CD1-CG2 3.91Å; L452-T455 HydrophobicContact CD2-CG2 3.96Å; L452-T455 HydrophobicContact CG-CG2 4.42Å; L452-F464 HydrophobicContact CD1-CB 4.11Å; L452-F464 HydrophobicContact CD1-CD1 4.21Å; L452-M466 HydrophobicContact CD1-CG 4.09Å; L452-F704 HydrophobicContact CD2-CD1 4.06Å; L452-F704 HydrophobicContact CD2-CE1 4.3Å; L452-N706 PolarHBondContact O-ND2 2.68Å
453	Y	94.3	Very high	92.8	Very high	45 Å²	45	33.7 Å²	33.7	18%	0.176	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-47.8	177.9	-77.8	-89.8	0	0	0	112.5	F414 W444 V465 E467 N706 M709 I712	F414-Y453 AromaticContact CD1-CD2 3.91Å; F414-Y453 HydrophobicContact CD1-CD2 3.91Å; F414-Y453 HydrophobicContact CD1-CE2 4.32Å; F414-Y453 HydrophobicContact CD1-CG 4.18Å; F414-Y453 AromaticContact CE1-CD1 3.91Å; F414-Y453 HydrophobicContact CE1-CD1 3.91Å; F414-Y453 AromaticContact CE1-CD2 3.75Å; F414-Y453 HydrophobicContact CE1-CD2 3.75Å; F414-Y453 HydrophobicContact CE1-CE1 4.19Å; F414-Y453 HydrophobicContact CE1-CE2 4.03Å; F414-Y453 AromaticContact CE1-CG 3.67Å; F414-Y453 HydrophobicContact CE1-CG 3.67Å; W444-Y453 HydrophobicContact CH2-CD1 4.5Å; W444-Y453 AromaticContact CH2-CE1 3.99Å; W444-Y453 HydrophobicContact CH2-CE1 3.99Å; W444-Y453 HydrophobicContact CZ3-CE1 4.28Å; W444-Y453 HydrophobicContact CZ3-CE2 4.37Å; Y453-V465 WeakPolarHBondContact CB-O 3.35Å; Y453-V465 PolarHBondContact N-O 2.99Å; Y453-E467 HydrophobicContact CE2-CB 3.96Å; Y453-N706 WeakPolarHBondContact O-CB 3.27Å; Y453-N706 PolarHBondContact O-N 3.14Å; Y453-M709 HydrophobicContact CD1-CB 4.05Å; Y453-M709 HydrophobicContact CD1-SD 4.03Å; Y453-M709 HydrophobicContact CG-SD 4.28Å; Y453-M709 WeakPolarHBondContact O-CB 3.42Å; Y453-I712 HydrophobicContact CD1-CD1 4.07Å; Y453-I712 HydrophobicContact CE1-CD1 3.52Å
454	C	95.3	Very high	93.3	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.007	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	163.7	172.2	64.1	0	0	0	0	112.4	F383 V465 F704 V705 M709	F383-C454 HydrophobicContact CD2-CB 4.44Å; C454-V465 PolarHBondContact N-O 3.04Å; C454-V465 WeakPolarHBondContact O-CB 3.41Å; C454-V465 PolarHBondContact O-N 3Å; C454-V465 VanDerWaalsContact SG-CG2 3.54Å; C454-F704 CarbonylContact C-O 3.42Å; C454-F704 WeakPolarHBondContact CA-O 3.38Å; C454-F704 VanDerWaalsContact CB-O 3.23Å; C454-F704 WeakPolarHBondContact CB-O 3.42Å; C454-V705 HydrophobicContact CB-CB 4.42Å; C454-V705 HydrophobicContact CB-CG1 4.47Å; C454-V705 HydrophobicContact CB-CG2 4.12Å; C454-M709 HydrophobicContact CB-CG 4.34Å
455	T	96.4	Very high	93.8	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.018	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140.9	167	51.9	0	0	0	0	109.8	R437 L452 F463 F464 F702 S703 F704	R437-T455 HydrophobicContact CG-CG2 4.11Å; L452-T455 HydrophobicContact CD1-CG2 3.91Å; L452-T455 HydrophobicContact CD2-CG2 3.96Å; L452-T455 HydrophobicContact CG-CG2 4.42Å; T455-F463 WeakPolarHBondContact CA-O 3.23Å; T455-F463 WeakPolarHBondContact CB-O 3.36Å; T455-F464 HydrophobicContact CG2-CB 4.32Å; T455-F464 HydrophobicContact CG2-CD1 3.58Å; T455-F464 HydrophobicContact CG2-CE1 4.17Å; T455-F464 HydrophobicContact CG2-CG 4Å; T455-F702 WeakPolarHBondContact CB-O 3.35Å; T455-F702 HydrophobicContact CG2-CE1 4.27Å; T455-F702 HydrophobicContact CG2-CZ 4.03Å; T455-F702 PolarHBondContact OG1-O 2.83Å; T455-S703 VanDerWaalsContact O-CA 3.29Å; T455-S703 WeakPolarHBondContact O-CA 3.47Å; T455-F704 PolarHBondContact N-O 3.03Å; T455-F704 PolarHBondContact O-N 2.83Å; T455-F704 VanDerWaalsContact O-N 3.1Å; T455-F704 WeakPolarHBondContact OG1-CB 3.2Å; T455-F704 PolarHBondContact OG1-N 3.29Å
456	F	95.8	Very high	94.5	Very high	11 Å²	11	24.1 Å²	24.1	5%	0.048	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	165.5	175	64.1	-93.1	0	0	0	110.2	F383 S384 I385 F388 F463 V465 F702	F383-F456 HydrophobicContact CB-CD1 4Å; F383-F456 HydrophobicContact CB-CE1 4.42Å; F383-F456 WeakPolarHBondContact O-CB 3.24Å; F383-F456 WeakPolarHBondContact O-CG 3.13Å; S384-F456 VanDerWaalsContact C-CE2 3.48Å; I385-F456 HydrophobicContact CB-CE2 4.07Å; I385-F456 HydrophobicContact CB-CZ 4.26Å; I385-F456 HydrophobicContact CD1-CZ 4.34Å; I385-F456 VanDerWaalsContact N-CE2 3.27Å; F388-F456 HydrophobicContact CD2-CE1 4.42Å; F388-F456 HydrophobicContact CD2-CZ 4.42Å; F388-F456 AromaticContact CE2-CE1 3.84Å; F388-F456 HydrophobicContact CE2-CE1 3.84Å; F388-F456 HydrophobicContact CE2-CZ 4.28Å; F456-F463 HydrophobicContact CD1-CB 4.16Å; F456-F463 HydrophobicContact CD2-CB 4.02Å; F456-F463 AromaticContact CD2-CD2 3.63Å; F456-F463 HydrophobicContact CD2-CD2 3.63Å; F456-F463 HydrophobicContact CD2-CE2 4.39Å; F456-F463 HydrophobicContact CD2-CG 4.04Å; F456-F463 HydrophobicContact CE1-CB 3.86Å; F456-F463 HydrophobicContact CE1-CG 4.4Å; F456-F463 HydrophobicContact CE2-CB 3.7Å; F456-F463 HydrophobicContact CE2-CD1 4.16Å; F456-F463 AromaticContact CE2-CD2 3.27Å; F456-F463 HydrophobicContact CE2-CD2 3.27Å; F456-F463 AromaticContact CE2-CE2 3.86Å; F456-F463 HydrophobicContact CE2-CE2 3.86Å; F456-F463 AromaticContact CE2-CG 3.44Å; F456-F463 HydrophobicContact CE2-CG 3.44Å; F456-F463 VanDerWaalsContact CE2-CG 3.44Å; F456-F463 HydrophobicContact CG-CB 4.24Å; F456-F463 HydrophobicContact CZ-CB 3.61Å; F456-F463 HydrophobicContact CZ-CD1 4.12Å; F456-F463 AromaticContact CZ-CD2 4Å; F456-F463 HydrophobicContact CZ-CD2 4Å; F456-F463 AromaticContact CZ-CG 3.65Å; F456-F463 HydrophobicContact CZ-CG 3.65Å; F456-F463 PolarHBondContact N-O 2.99Å; F456-F463 VanDerWaalsContact N-O 3.15Å; F456-F463 PolarHBondContact O-N 3.44Å; F456-V465 HydrophobicContact CD1-CG2 4.22Å; F456-V465 HydrophobicContact CE1-CG2 3.67Å; F456-F702 WeakPolarHBondContact O-CE1 3.41Å
457	Q	94.3	Very high	94.6	Very high	54 Å²	54	24.9 Å²	24.9	25%	0.252	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.3	-175.5	59.4	178.8	-56.5	0	0	111.3	N461 L462 F699 F702	Q457-N461 WeakPolarHBondContact CA-O 3.43Å; Q457-L462 HydrophobicContact CB-CD2 3.72Å; Q457-F699 PolarHBondContact NE2-O 2.96Å; Q457-F702 HydrophobicContact CB-CD1 4.12Å
458	T	91.6	Very high	94.7	Very high	55 Å²	55	24.5 Å²	24.5	34%	0.337	11%	0.114	S	C	.	.			trans	-105.8	-170.7	166.7	65.1	0	0	0	0	109.4	K421 E460 N461 F463	K421-T458 WeakPolarHBondContact CE-O 3.25Å; K421-T458 PolarHBondContact NZ-O 3.3Å; T458-E460 PolarHBondContact O-N 3.44Å; T458-E460 PolarHBondContact OG1-N 3.04Å; T458-N461 PolarHBondContact N-O 3.18Å; T458-N461 PolarHBondContact OG1-N 3.27Å; T458-N461 VanDerWaalsContact OG1-N 3.12Å; T458-F463 HydrophobicContact CG2-CE2 3.91Å
459	K	87.9	Confident	94.6	Very high	159 Å²	159	25 Å²	25	69%	0.691	12%	0.117	S	C	*	.	S	Bend	trans	-62.5	-29.1	171.2	-68.4	-174.8	176.2	-177.2	0	112.7	I691 Q696	K459-I691 HydrophobicContact CB-CG2 4.12Å; K459-Q696 PolarHBondContact O-NE2 3.21Å; K459-Q696 VanDerWaalsContact O-NE2 3.15Å
460	E	87.2	Confident	94.4	Very high	60 Å²	60	25.6 Å²	25.6	28%	0.28	12%	0.12	S	C	.	.	S	Bend	trans	-109.2	-33.5	-167.7	-46.1	-165.7	172.9	0	0	113.1	K421 T458 A686 I691	K421-E460 WeakPolarHBondContact CB-O 3.26Å; K421-E460 PolarHBondContact N-O 2.79Å; T458-E460 PolarHBondContact O-N 3.44Å; T458-E460 PolarHBondContact OG1-N 3.04Å; E460-A686 HydrophobicContact CB-CB 4.15Å; E460-I691 HydrophobicContact CB-CD1 4.08Å; E460-I691 HydrophobicContact CB-CG1 4.4Å; E460-I691 VanDerWaalsContact CD-CD1 3.42Å; E460-I691 HydrophobicContact CG-CD1 3.45Å; E460-I691 VanDerWaalsContact CG-CD1 3.45Å; E460-I691 HydrophobicContact CG-CG1 4.09Å; E460-I691 HydrophobicContact CG-CG2 4.45Å; E460-I691 WeakPolarHBondContact OE1-CD1 3.41Å
461	N	92.1	Very high	94.4	Very high	12 Å²	12	25.3 Å²	25.3	6%	0.064	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	156.3	-167.2	-63.2	-64.2	0	0	0	112.8	L419 Q457 T458 F463	L419-N461 CarbonylContact O-C 3.49Å; L419-N461 VanDerWaalsContact O-CA 3.25Å; L419-N461 WeakPolarHBondContact O-CA 3.47Å; Q457-N461 WeakPolarHBondContact CA-O 3.43Å; T458-N461 PolarHBondContact N-O 3.18Å; T458-N461 PolarHBondContact OG1-N 3.27Å; T458-N461 VanDerWaalsContact OG1-N 3.12Å; N461-F463 HydrophobicContact CB-CD2 4.31Å; N461-F463 HydrophobicContact CB-CE1 4.49Å; N461-F463 HydrophobicContact CB-CE2 3.49Å; N461-F463 VanDerWaalsContact CB-CE2 3.49Å; N461-F463 HydrophobicContact CB-CZ 3.61Å
462	L	94.3	Very high	94.3	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.7	170.1	-57.1	172.5	0	0	0	108.1	A418 L419 K421 T433 Q457 F699 F702	A418-L462 WeakPolarHBondContact CA-O 3.12Å; L419-L462 HydrophobicContact CB-CB 4.37Å; L419-L462 PolarHBondContact N-O 3.19Å; L419-L462 PolarHBondContact O-N 3.47Å; K421-L462 HydrophobicContact CD-CD2 4.39Å; K421-L462 VanDerWaalsContact CE-CD2 3.41Å; K421-L462 HydrophobicContact CG-CD1 4.4Å; K421-L462 HydrophobicContact CG-CD2 4.08Å; K421-L462 HydrophobicContact CG-CG 3.87Å; T433-L462 HydrophobicContact CG2-CD1 3.67Å; Q457-L462 HydrophobicContact CB-CD2 3.72Å; L462-F699 HydrophobicContact CD1-CD1 3.65Å; L462-F699 HydrophobicContact CD1-CE1 3.6Å; L462-F699 HydrophobicContact CD1-CG 4.35Å; L462-F699 HydrophobicContact CD1-CZ 4.24Å; L462-F699 HydrophobicContact CD2-CB 4.15Å; L462-F699 HydrophobicContact CD2-CD1 4.11Å; L462-F699 HydrophobicContact CD2-CG 4.05Å; L462-F699 HydrophobicContact CG-CD1 4.48Å; L462-F702 HydrophobicContact CB-CE1 3.94Å; L462-F702 HydrophobicContact CB-CE2 4.31Å; L462-F702 HydrophobicContact CB-CZ 3.8Å; L462-F702 HydrophobicContact CD1-CE2 4.47Å; L462-F702 HydrophobicContact CD2-CD1 3.89Å; L462-F702 HydrophobicContact CD2-CD2 4.35Å; L462-F702 HydrophobicContact CD2-CE1 4.09Å; L462-F702 HydrophobicContact CD2-CG 4.03Å; L462-F702 HydrophobicContact CD2-CZ 4.43Å
463	F	96.4	Very high	94.2	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.3	-176.4	-60.8	-92.2	0	0	0	110.8	I385 V416 K417 A418 T455 F456 T458 N461 L683	I385-F463 HydrophobicContact CB-CE1 4.29Å; I385-F463 HydrophobicContact CB-CZ 4.14Å; I385-F463 HydrophobicContact CD1-CD1 3.97Å; I385-F463 HydrophobicContact CD1-CE1 3.64Å; I385-F463 HydrophobicContact CD1-CZ 4.34Å; I385-F463 HydrophobicContact CG1-CE1 3.97Å; I385-F463 HydrophobicContact CG1-CZ 4.21Å; V416-F463 HydrophobicContact CG1-CD1 3.95Å; K417-F463 WeakPolarHBondContact O-CA 3.25Å; A418-F463 HydrophobicContact CB-CD1 3.74Å; A418-F463 HydrophobicContact CB-CE1 3.7Å; T455-F463 WeakPolarHBondContact CA-O 3.23Å; T455-F463 WeakPolarHBondContact CB-O 3.36Å; F456-F463 HydrophobicContact CD1-CB 4.16Å; F456-F463 HydrophobicContact CD2-CB 4.02Å; F456-F463 AromaticContact CD2-CD2 3.63Å; F456-F463 HydrophobicContact CD2-CD2 3.63Å; F456-F463 HydrophobicContact CD2-CE2 4.39Å; F456-F463 HydrophobicContact CD2-CG 4.04Å; F456-F463 HydrophobicContact CE1-CB 3.86Å; F456-F463 HydrophobicContact CE1-CG 4.4Å; F456-F463 HydrophobicContact CE2-CB 3.7Å; F456-F463 HydrophobicContact CE2-CD1 4.16Å; F456-F463 AromaticContact CE2-CD2 3.27Å; F456-F463 HydrophobicContact CE2-CD2 3.27Å; F456-F463 AromaticContact CE2-CE2 3.86Å; F456-F463 HydrophobicContact CE2-CE2 3.86Å; F456-F463 AromaticContact CE2-CG 3.44Å; F456-F463 HydrophobicContact CE2-CG 3.44Å; F456-F463 VanDerWaalsContact CE2-CG 3.44Å; F456-F463 HydrophobicContact CG-CB 4.24Å; F456-F463 HydrophobicContact CZ-CB 3.61Å; F456-F463 HydrophobicContact CZ-CD1 4.12Å; F456-F463 AromaticContact CZ-CD2 4Å; F456-F463 HydrophobicContact CZ-CD2 4Å; F456-F463 AromaticContact CZ-CG 3.65Å; F456-F463 HydrophobicContact CZ-CG 3.65Å; F456-F463 PolarHBondContact N-O 2.99Å; F456-F463 VanDerWaalsContact N-O 3.15Å; F456-F463 PolarHBondContact O-N 3.44Å; T458-F463 HydrophobicContact CG2-CE2 3.91Å; N461-F463 HydrophobicContact CB-CD2 4.31Å; N461-F463 HydrophobicContact CB-CE1 4.49Å; N461-F463 HydrophobicContact CB-CE2 3.49Å; N461-F463 VanDerWaalsContact CB-CE2 3.49Å; N461-F463 HydrophobicContact CB-CZ 3.61Å; F463-L683 HydrophobicContact CE1-CD1 4.05Å; F463-L683 HydrophobicContact CE1-CD2 4.02Å; F463-L683 HydrophobicContact CZ-CD1 3.92Å; F463-L683 HydrophobicContact CZ-CD2 4.5Å
464	F	96.4	Very high	94.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.6	167.5	-59.2	-108.9	0	0	0	108.7	V416 K417 L419 T433 E436 R437 L440 L452 T455 M466 F702	V416-F464 CarbonylContact C-O 3.47Å; V416-F464 VanDerWaalsContact CA-O 3.3Å; V416-F464 WeakPolarHBondContact CA-O 3.32Å; K417-F464 HydrophobicContact CB-CB 4.3Å; K417-F464 PolarHBondContact N-O 3.49Å; K417-F464 PolarHBondContact O-N 2.84Å; L419-F464 HydrophobicContact CD1-CE2 3.88Å; L419-F464 HydrophobicContact CG-CE2 4.38Å; T433-F464 HydrophobicContact CG2-CE2 4.12Å; T433-F464 HydrophobicContact CG2-CZ 3.93Å; E436-F464 HydrophobicContact CB-CE1 4.4Å; E436-F464 HydrophobicContact CB-CZ 4.41Å; E436-F464 HydrophobicContact CG-CE1 4.12Å; E436-F464 HydrophobicContact CG-CZ 4.35Å; R437-F464 HydrophobicContact CB-CE1 3.93Å; R437-F464 HydrophobicContact CG-CE1 4.46Å; L440-F464 HydrophobicContact CD1-CD1 3.82Å; L440-F464 HydrophobicContact CD1-CE1 4.17Å; L452-F464 HydrophobicContact CD1-CB 4.11Å; L452-F464 HydrophobicContact CD1-CD1 4.21Å; T455-F464 HydrophobicContact CG2-CB 4.32Å; T455-F464 HydrophobicContact CG2-CD1 3.58Å; T455-F464 HydrophobicContact CG2-CE1 4.17Å; T455-F464 HydrophobicContact CG2-CG 4Å; F464-M466 HydrophobicContact CB-CG 4.41Å; F464-F702 HydrophobicContact CD2-CZ 4.02Å; F464-F702 HydrophobicContact CE1-CE2 4.09Å; F464-F702 HydrophobicContact CE1-CZ 4.21Å; F464-F702 AromaticContact CE2-CE2 3.83Å; F464-F702 HydrophobicContact CE2-CE2 3.83Å; F464-F702 AromaticContact CE2-CZ 3.65Å; F464-F702 HydrophobicContact CE2-CZ 3.65Å; F464-F702 HydrophobicContact CG-CZ 4.44Å; F464-F702 AromaticContact CZ-CE2 3.55Å; F464-F702 HydrophobicContact CZ-CE2 3.55Å; F464-F702 AromaticContact CZ-CZ 3.78Å; F464-F702 HydrophobicContact CZ-CZ 3.78Å
465	V	96.7	Very high	94	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	108.3	176.9	-173.5	0	0	0	0	107.9	F388 F414 V416 Y453 C454 F456	F388-V465 HydrophobicContact CE1-CG1 3.87Å; F388-V465 HydrophobicContact CE1-CG2 4.46Å; F388-V465 HydrophobicContact CE2-CG2 4.29Å; F388-V465 HydrophobicContact CZ-CG1 3.92Å; F388-V465 HydrophobicContact CZ-CG2 3.88Å; F414-V465 HydrophobicContact CB-CG1 3.82Å; F414-V465 HydrophobicContact CD1-CG1 3.76Å; F414-V465 HydrophobicContact CE1-CG1 4.49Å; F414-V465 HydrophobicContact CG-CG1 3.81Å; V416-V465 HydrophobicContact CG2-CG1 4.32Å; V416-V465 HydrophobicContact CG2-CG2 4.23Å; Y453-V465 WeakPolarHBondContact CB-O 3.35Å; Y453-V465 PolarHBondContact N-O 2.99Å; C454-V465 PolarHBondContact N-O 3.04Å; C454-V465 WeakPolarHBondContact O-CB 3.41Å; C454-V465 PolarHBondContact O-N 3Å; C454-V465 VanDerWaalsContact SG-CG2 3.54Å; F456-V465 HydrophobicContact CD1-CG2 4.22Å; F456-V465 HydrophobicContact CE1-CG2 3.67Å
466	M	96.1	Very high	93.6	Very high	20 Å²	20	26.6 Å²	26.6	10%	0.099	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	165.5	-173.5	-58.3	172.1	-63.3	0	0	110.3	F414 A415 K417 L440 T450 H451 L452 F464	F414-M466 WeakPolarHBondContact CA-O 3.49Å; F414-M466 WeakPolarHBondContact CB-O 3.2Å; A415-M466 HydrophobicContact CB-CB 4.47Å; A415-M466 HydrophobicContact CB-CE 4.4Å; A415-M466 PolarHBondContact N-O 3.47Å; A415-M466 PolarHBondContact O-N 3.03Å; K417-M466 HydrophobicContact CB-CE 3.69Å; L440-M466 HydrophobicContact CD1-SD 4.38Å; T450-M466 HydrophobicContact CG2-CB 4.1Å; T450-M466 HydrophobicContact CG2-CG 4.48Å; T450-M466 HydrophobicContact CG2-SD 4.28Å; H451-M466 VanDerWaalsContact O-CA 3.29Å; H451-M466 WeakPolarHBondContact O-CA 3.03Å; L452-M466 HydrophobicContact CD1-CG 4.09Å; F464-M466 HydrophobicContact CB-CG 4.41Å
467	E	95.2	Very high	93.3	Very high	30 Å²	30	26.7 Å²	26.7	14%	0.14	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	146.1	166.9	61	-175.2	146.8	0	0	111.6	A415 T450 H451 Y453 L469 K527	A415-E467 WeakPolarHBondContact CB-O 3.31Å; T450-E467 WeakPolarHBondContact CA-OE1 3.41Å; T450-E467 HydrophobicContact CG2-CG 4.09Å; H451-E467 HydrophobicContact CB-CG 4.2Å; H451-E467 WeakPolarHBondContact CB-OE1 3.36Å; H451-E467 IonicContact CG-OE1 2.83Å; H451-E467 PolarHBondContact N-OE1 2.81Å; H451-E467 PolarHBondContact O-N 3.3Å; Y453-E467 HydrophobicContact CE2-CB 3.96Å; E467-L469 HydrophobicContact CG-CD1 4.16Å; E467-L469 HydrophobicContact CG-CD2 4.05Å; E467-L469 HydrophobicContact CG-CG 3.95Å; E467-K527 WeakPolarHBondContact OE1-CD 3.15Å; E467-K527 VanDerWaalsContact OE1-CE 3.25Å; E467-K527 WeakPolarHBondContact OE1-CE 3.33Å; E467-K527 IonicContact OE1-NZ 3.65Å; E467-K527 PolarHBondContact OE1-NZ 2.89Å; E467-K527 IonicContact OE2-NZ 2.68Å; E467-K527 PolarHBondContact OE2-NZ 3Å
468	Y	96.3	Very high	93.1	Very high	27 Å²	27	24.1 Å²	24.1	11%	0.106	12%	0.116	C	C	.	.			trans	-89	117.1	173.4	179.2	-130.3	0	0	0	109.9	L394 L404 F413 N470 P666 D668 C669 F672	L394-Y468 HydrophobicContact CD1-CD2 3.88Å; L394-Y468 HydrophobicContact CD1-CE2 3.56Å; L394-Y468 HydrophobicContact CD2-CE2 4.01Å; L394-Y468 HydrophobicContact CG-CE2 4.44Å; L404-Y468 HydrophobicContact CD1-CD1 3.73Å; L404-Y468 HydrophobicContact CD1-CD2 3.79Å; L404-Y468 HydrophobicContact CD1-CE1 3.72Å; L404-Y468 HydrophobicContact CD1-CE2 3.8Å; L404-Y468 HydrophobicContact CD1-CG 3.77Å; L404-Y468 HydrophobicContact CD2-CE1 4.42Å; F413-Y468 HydrophobicContact CB-CD1 4.09Å; Y468-N470 HydrophobicContact CD1-CB 4.26Å; Y468-N470 HydrophobicContact CE1-CB 3.63Å; Y468-N470 HydrophobicContact CE2-CB 4.47Å; Y468-P666 WeakPolarHBondContact CD1-O 3.11Å; Y468-P666 WeakPolarHBondContact CE1-O 3.13Å; Y468-D668 PolarHBondContact OH-O 2.82Å; Y468-C669 PolarHBondContact OH-SG 3.07Å; Y468-C669 VanDerWaalsContact OH-SG 3.33Å; Y468-F672 HydrophobicContact CE2-CE2 4.03Å; Y468-F672 AromaticContact CE2-CZ 3.76Å; Y468-F672 HydrophobicContact CE2-CZ 3.76Å; Y468-F672 WeakPolarHBondContact OH-CE2 3.47Å
469	L	96.1	Very high	92.8	Very high	12 Å²	12	25.3 Å²	25.3	6%	0.063	12%	0.117	C	C	.	.			trans	-108.6	97.8	-178.3	-63	170	0	0	0	108.6	T450 E467 L519 D521 K527 F672	T450-L469 HydrophobicContact CG2-CD1 4.25Å; E467-L469 HydrophobicContact CG-CD1 4.16Å; E467-L469 HydrophobicContact CG-CD2 4.05Å; E467-L469 HydrophobicContact CG-CG 3.95Å; L469-L519 HydrophobicContact CB-CB 4.39Å; L469-L519 HydrophobicContact CB-CD1 4.28Å; L469-L519 HydrophobicContact CD1-CB 4.11Å; L469-L519 HydrophobicContact CD1-CD1 3.85Å; L469-D521 HydrophobicContact CD2-CB 3.83Å; L469-K527 HydrophobicContact CD1-CB 3.5Å; L469-K527 VanDerWaalsContact CD1-CB 3.5Å; L469-K527 HydrophobicContact CD1-CD 4.45Å; L469-K527 HydrophobicContact CD1-CG 3.8Å; L469-K527 HydrophobicContact CD2-CB 4.41Å; L469-K527 HydrophobicContact CD2-CG 3.84Å; L469-K527 HydrophobicContact CG-CG 4.49Å; L469-F672 WeakPolarHBondContact O-CZ 3.29Å
470	N	94.3	Very high	92.6	Very high	11 Å²	11	22.7 Å²	22.7	6%	0.059	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-0.2	-172.9	61.1	-9.5	0	0	0	114.5	Y468 G472 L663 N671	Y468-N470 HydrophobicContact CD1-CB 4.26Å; Y468-N470 HydrophobicContact CE1-CB 3.63Å; Y468-N470 HydrophobicContact CE2-CB 4.47Å; N470-G472 PolarHBondContact O-N 2.95Å; N470-L663 HydrophobicContact CB-CD2 4.15Å; N470-L663 WeakPolarHBondContact O-CD2 3.4Å; N470-L663 WeakPolarHBondContact OD1-CD1 3.42Å; N470-N671 PolarHBondContact O-ND2 2.83Å
471	G	94.6	Very high	92.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-14.7	177.2	0	0	0	0	0	114.1	H477 L520	G471-H477 PolarHBondContact O-NE2 3.18Å; G471-L520 WeakPolarHBondContact CA-O 3.26Å; G471-L520 PolarHBondContact N-O 3.38Å
472	G	92.7	Very high	92.3	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.021	15%	0.145	C	C	.	.			trans	81.8	167.1	-174.2	0	0	0	0	0	112.9	N470 L520 N671	N470-G472 PolarHBondContact O-N 2.95Å; G472-L520 PolarHBondContact O-N 3.34Å; G472-N671 WeakPolarHBondContact CA-O 3.15Å
473	D	93.3	Very high	92.1	Very high	38 Å²	38	32.2 Å²	32.2	20%	0.203	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-84.5	160.5	177.1	61.2	80.9	0	0	0	112.9	M475 F476 H477 V518 L519	D473-M475 PolarHBondContact O-N 3.18Å; D473-M475 VanDerWaalsContact OD1-CA 3.28Å; D473-M475 WeakPolarHBondContact OD1-CA 3.35Å; D473-M475 WeakPolarHBondContact OD1-CB 3.43Å; D473-M475 PolarHBondContact OD1-N 3.27Å; D473-F476 PolarHBondContact O-N 2.99Å; D473-F476 PolarHBondContact OD1-N 3.38Å; D473-H477 PolarHBondContact O-CD2 2.63Å; D473-H477 VanDerWaalsContact O-CD2 3.22Å; D473-H477 PolarHBondContact O-N 3.03Å; D473-V518 WeakPolarHBondContact CA-O 3.43Å; D473-L519 HydrophobicContact CB-CD2 3.58Å
474	L	95.1	Very high	92.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.1	-22.2	179.2	-69.9	-170.7	0	0	0	113.4	I478 F484 Y492 L515 V518 L520 I526 M580	L474-I478 WeakPolarHBondContact O-CB 3.41Å; L474-I478 WeakPolarHBondContact O-CG2 3.16Å; L474-I478 PolarHBondContact O-N 3.36Å; L474-F484 HydrophobicContact CD1-CE2 4.44Å; L474-F484 HydrophobicContact CD2-CE2 4.04Å; L474-F484 HydrophobicContact CD2-CZ 4.1Å; L474-Y492 HydrophobicContact CD1-CD2 4.23Å; L474-Y492 HydrophobicContact CD2-CD2 3.78Å; L474-Y492 HydrophobicContact CD2-CE2 3.57Å; L474-L515 HydrophobicContact CB-CB 4.2Å; L474-L515 HydrophobicContact CB-CD2 3.86Å; L474-L515 HydrophobicContact CD1-CD2 4.19Å; L474-L515 PolarHBondContact N-O 3.07Å; L474-V518 HydrophobicContact CD1-CB 4.04Å; L474-V518 HydrophobicContact CD1-CG1 3.56Å; L474-V518 HydrophobicContact CG-CB 4.17Å; L474-V518 HydrophobicContact CG-CG1 3.88Å; L474-V518 PolarHBondContact N-O 2.86Å; L474-L520 HydrophobicContact CD2-CD1 4.37Å; L474-L520 HydrophobicContact CD2-CD2 4.06Å; L474-L520 HydrophobicContact CD2-CG 4.2Å; L474-I526 HydrophobicContact CD1-CD1 3.87Å; L474-I526 HydrophobicContact CD2-CD1 4.01Å; L474-I526 HydrophobicContact CG-CD1 4.1Å; L474-M580 HydrophobicContact CD1-SD 3.98Å
475	M	90.4	Very high	92.2	Very high	9 Å²	9	36.8 Å²	36.8	4%	0.044	19%	0.187	C	C	.	.	H	α-helix	trans	-67.6	-48.9	175.2	168.5	59.5	68.7	0	0	110.3	L148 R151 D473 H477 I478 Q479 L515	L148-M475 HydrophobicContact CB-CE 4.17Å; L148-M475 HydrophobicContact CB-SD 4.23Å; R151-M475 VanDerWaalsContact NE-CE 3.26Å; D473-M475 PolarHBondContact O-N 3.18Å; D473-M475 VanDerWaalsContact OD1-CA 3.28Å; D473-M475 WeakPolarHBondContact OD1-CA 3.35Å; D473-M475 WeakPolarHBondContact OD1-CB 3.43Å; D473-M475 PolarHBondContact OD1-N 3.27Å; M475-H477 VanDerWaalsContact C-N 3.3Å; M475-H477 PolarHBondContact O-N 3.12Å; M475-I478 WeakPolarHBondContact O-CG2 3.04Å; M475-I478 PolarHBondContact O-N 3.23Å; M475-I478 HydrophobicContact SD-CG2 4.31Å; M475-Q479 HydrophobicContact CG-CG 4.46Å; M475-Q479 WeakPolarHBondContact O-CB 3.27Å; M475-Q479 VanDerWaalsContact O-CG 3.25Å; M475-Q479 WeakPolarHBondContact O-CG 3.29Å; M475-Q479 PolarHBondContact O-N 3.28Å; M475-Q479 HydrophobicContact SD-CG 3.67Å; M475-Q479 PolarHBondContact SD-NE2 2.92Å; M475-L515 HydrophobicContact CB-CB 3.99Å; M475-L515 HydrophobicContact CE-CB 4.44Å; M475-L515 HydrophobicContact CE-CD1 4.16Å
476	F	88.4	Confident	92.2	Very high	58 Å²	58	40.2 Å²	40.2	25%	0.254	21%	0.205	S	C	.	.	H	α-helix	trans	-54.4	-45.1	174	176.4	-96.7	0	0	0	112.3	D473 T480 N671	D473-F476 PolarHBondContact O-N 2.99Å; D473-F476 PolarHBondContact OD1-N 3.38Å; F476-T480 PolarHBondContact O-N 3Å; F476-T480 PolarHBondContact O-OG1 2.8Å; F476-T480 VanDerWaalsContact O-OG1 3.11Å; F476-N671 HydrophobicContact CD1-CB 4.31Å; F476-N671 HydrophobicContact CE1-CB 3.96Å
477	H	90.8	Very high	92.2	Very high	13 Å²	13	44.9 Å²	44.9	6%	0.06	23%	0.226	C	C	.	.	H	α-helix	trans	-66.5	-45.2	178.8	-77.1	-68.4	0	0	0	113	G471 D473 M475 Q479 T480 C481 F484 F659	G471-H477 PolarHBondContact O-NE2 3.18Å; D473-H477 PolarHBondContact O-CD2 2.63Å; D473-H477 VanDerWaalsContact O-CD2 3.22Å; D473-H477 PolarHBondContact O-N 3.03Å; M475-H477 VanDerWaalsContact C-N 3.3Å; M475-H477 PolarHBondContact O-N 3.12Å; H477-Q479 VanDerWaalsContact C-N 3.34Å; H477-Q479 PolarHBondContact O-N 3.37Å; H477-T480 WeakPolarHBondContact O-CB 3.11Å; H477-T480 PolarHBondContact O-N 3.1Å; H477-T480 VanDerWaalsContact O-N 3.16Å; H477-C481 PolarHBondContact O-N 2.9Å; H477-C481 PolarHBondContact O-SG 2.81Å; H477-C481 VanDerWaalsContact O-SG 3.36Å; H477-F484 HydrophobicContact CB-CE1 3.98Å; H477-F484 HydrophobicContact CB-CZ 3.97Å; H477-F659 AromaticContact CE1-CE1 3.44Å; H477-F659 VanDerWaalsContact CE1-CE1 3.44Å; H477-F659 WeakPolarHBondContact CE1-CE1 3.22Å; H477-F659 AromaticContact CE1-CZ 3.54Å; H477-F659 AromaticContact ND1-CE1 3.59Å; H477-F659 AromaticContact ND1-CZ 3.54Å
478	I	90.2	Very high	92.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-71.6	-29.7	-178.3	-154.4	170.5	0	0	0	112.2	L148 L474 M475 T480 C481 H482 F484 L515 E579	L148-I478 HydrophobicContact CD1-CD1 4.16Å; L148-I478 HydrophobicContact CD1-CG1 4.26Å; L148-I478 HydrophobicContact CD1-CG2 3.55Å; L474-I478 WeakPolarHBondContact O-CB 3.41Å; L474-I478 WeakPolarHBondContact O-CG2 3.16Å; L474-I478 PolarHBondContact O-N 3.36Å; M475-I478 WeakPolarHBondContact O-CG2 3.04Å; M475-I478 PolarHBondContact O-N 3.23Å; M475-I478 HydrophobicContact SD-CG2 4.31Å; I478-T480 PolarHBondContact O-N 2.68Å; I478-C481 PolarHBondContact O-N 2.84Å; I478-H482 CarbonylContact O-C 3.51Å; I478-H482 WeakPolarHBondContact O-CA 3.48Å; I478-H482 PolarHBondContact O-N 3.49Å; I478-F484 HydrophobicContact CB-CE1 4.07Å; I478-F484 HydrophobicContact CB-CZ 3.89Å; I478-F484 HydrophobicContact CG1-CE1 4.3Å; I478-F484 HydrophobicContact CG1-CZ 4.35Å; I478-L515 HydrophobicContact CD1-CD1 4.39Å; I478-L515 HydrophobicContact CG2-CD1 3.91Å; I478-E579 VanDerWaalsContact CD1-O 3.27Å; I478-E579 WeakPolarHBondContact CD1-O 3.37Å
479	Q	84.9	Confident	92.4	Very high	79 Å²	79	43 Å²	43	37%	0.369	22%	0.218	S	C	.	.	H	α-helix	trans	-61.1	-32.3	171.5	-73.3	-179	10.2	0	0	111.9	M475 H477	M475-Q479 HydrophobicContact CG-CG 4.46Å; M475-Q479 WeakPolarHBondContact O-CB 3.27Å; M475-Q479 VanDerWaalsContact O-CG 3.25Å; M475-Q479 WeakPolarHBondContact O-CG 3.29Å; M475-Q479 PolarHBondContact O-N 3.28Å; M475-Q479 HydrophobicContact SD-CG 3.67Å; M475-Q479 PolarHBondContact SD-NE2 2.92Å; H477-Q479 VanDerWaalsContact C-N 3.34Å; H477-Q479 PolarHBondContact O-N 3.37Å
480	T	83.3	Confident	92.6	Very high	105 Å²	105	43 Å²	43	64%	0.644	22%	0.218	S	C	*	.	H	α-helix	trans	-77.9	-36.8	-179.6	-57.1	0	0	0	0	112.8	F476 H477 I478	F476-T480 PolarHBondContact O-N 3Å; F476-T480 PolarHBondContact O-OG1 2.8Å; F476-T480 VanDerWaalsContact O-OG1 3.11Å; H477-T480 WeakPolarHBondContact O-CB 3.11Å; H477-T480 PolarHBondContact O-N 3.1Å; H477-T480 VanDerWaalsContact O-N 3.16Å; I478-T480 PolarHBondContact O-N 2.68Å
481	C	85.8	Confident	92.8	Very high	55 Å²	55	43.1 Å²	43.1	37%	0.372	22%	0.218	S	C	.	.	H	α-helix	trans	-111.2	4.3	-176.2	68	0	0	0	0	115.3	H477 I478 K483 F484	H477-C481 PolarHBondContact O-N 2.9Å; H477-C481 PolarHBondContact O-SG 2.81Å; H477-C481 VanDerWaalsContact O-SG 3.36Å; I478-C481 PolarHBondContact O-N 2.84Å; C481-K483 PolarHBondContact O-N 2.85Å; C481-K483 PolarHBondContact SG-O 2.79Å; C481-F484 VanDerWaalsContact SG-CD1 3.54Å
482	H	86.1	Confident	93	Very high	133 Å²	133	43.1 Å²	43.1	62%	0.616	22%	0.218	S	C	*	.	S	Bend	trans	61	-39.4	-172.9	-59.7	-53.1	0	0	0	116.6	I478 G583	I478-H482 CarbonylContact O-C 3.51Å; I478-H482 WeakPolarHBondContact O-CA 3.48Å; I478-H482 PolarHBondContact O-N 3.49Å; H482-G583 WeakPolarHBondContact O-CA 3.3Å
483	K	91.9	Very high	93.3	Very high	83 Å²	83	43 Å²	43	36%	0.361	22%	0.217	S	C	.	.	S	Bend	trans	-151.5	162.4	172.1	62.8	171.3	-175.9	169.5	0	110.2	C481 L581 W609	C481-K483 PolarHBondContact O-N 2.85Å; C481-K483 PolarHBondContact SG-O 2.79Å; K483-L581 WeakPolarHBondContact CD-O 3.45Å; K483-W609 HydrophobicContact CD-CH2 4.17Å; K483-W609 VanDerWaalsContact NZ-CZ3 3.28Å
484	F	96.8	Very high	93.5	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.026	21%	0.207	C	C	.	.			trans	-87.8	154.4	169.7	-57.7	-34.6	0	0	0	110.8	L474 H477 I478 C481 R488 A489 Y492 M580	L474-F484 HydrophobicContact CD1-CE2 4.44Å; L474-F484 HydrophobicContact CD2-CE2 4.04Å; L474-F484 HydrophobicContact CD2-CZ 4.1Å; H477-F484 HydrophobicContact CB-CE1 3.98Å; H477-F484 HydrophobicContact CB-CZ 3.97Å; I478-F484 HydrophobicContact CB-CE1 4.07Å; I478-F484 HydrophobicContact CB-CZ 3.89Å; I478-F484 HydrophobicContact CG1-CE1 4.3Å; I478-F484 HydrophobicContact CG1-CZ 4.35Å; C481-F484 VanDerWaalsContact SG-CD1 3.54Å; F484-R488 HydrophobicContact CB-CB 4.23Å; F484-R488 HydrophobicContact CB-CG 4.19Å; F484-R488 HydrophobicContact CG-CG 4.21Å; F484-A489 HydrophobicContact CB-CB 4.33Å; F484-Y492 HydrophobicContact CD2-CD2 4.08Å; F484-Y492 HydrophobicContact CD2-CE2 4.22Å; F484-Y492 HydrophobicContact CE2-CD2 4.01Å; F484-Y492 HydrophobicContact CE2-CE2 4.01Å; F484-Y492 HydrophobicContact CZ-CE2 4.39Å; F484-M580 HydrophobicContact CD2-CB 3.86Å; F484-M580 HydrophobicContact CD2-CG 3.69Å; F484-M580 HydrophobicContact CD2-SD 3.86Å; F484-M580 HydrophobicContact CE2-CB 4.49Å; F484-M580 HydrophobicContact CE2-CG 3.86Å; F484-M580 HydrophobicContact CE2-SD 4Å; F484-M580 PolarHBondContact N-O 3.42Å
485	D	96.3	Very high	93.7	Very high	91 Å²	91	41.2 Å²	41.2	49%	0.487	21%	0.207	S	C	.	.			trans	-68.5	165.2	165.4	66.9	90.3	0	0	0	110.5	H487 R488 A489	D485-H487 VanDerWaalsContact C-N 3.31Å; D485-H487 PolarHBondContact O-N 3.25Å; D485-H487 WeakPolarHBondContact OD1-CA 3.44Å; D485-H487 WeakPolarHBondContact OD1-CB 3.36Å; D485-H487 PolarHBondContact OD1-N 3.47Å; D485-R488 PolarHBondContact O-N 3.32Å; D485-R488 PolarHBondContact OD1-N 3.35Å; D485-R488 WeakPolarHBondContact OD2-CB 3.42Å; D485-A489 WeakPolarHBondContact O-CB 3.43Å; D485-A489 PolarHBondContact O-N 3.45Å
486	L	96.9	Very high	94.1	Very high	73 Å²	73	40.8 Å²	40.8	38%	0.382	21%	0.205	S	C	.	.	H	α-helix	trans	-60.7	-38.6	-176.3	-179.7	61.7	0	0	0	112.5	T490 L581 T611 A614 F641	L486-T490 WeakPolarHBondContact O-CB 3.29Å; L486-T490 PolarHBondContact O-N 2.92Å; L486-T490 PolarHBondContact O-OG1 3.08Å; L486-L581 HydrophobicContact CD1-CD2 3.83Å; L486-T611 HydrophobicContact CD2-CG2 3.8Å; L486-A614 HydrophobicContact CD1-CB 4.32Å; L486-F641 HydrophobicContact CD1-CE2 3.67Å; L486-F641 HydrophobicContact CD1-CZ 4.33Å
487	H	97.3	Very high	94.6	Very high	118 Å²	118	38 Å²	38	55%	0.546	19%	0.193	S	C	.	.	H	α-helix	trans	-70.8	-45	-176.7	-179.5	48	0	0	0	111.1	D485 T490 F491	D485-H487 VanDerWaalsContact C-N 3.31Å; D485-H487 PolarHBondContact O-N 3.25Å; D485-H487 WeakPolarHBondContact OD1-CA 3.44Å; D485-H487 WeakPolarHBondContact OD1-CB 3.36Å; D485-H487 PolarHBondContact OD1-N 3.47Å; H487-T490 PolarHBondContact O-N 3.23Å; H487-F491 WeakPolarHBondContact O-CB 3.26Å; H487-F491 PolarHBondContact O-N 2.86Å
488	R	97.9	Very high	94.9	Very high	18 Å²	18	37.6 Å²	37.6	7%	0.068	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-44.8	173.1	-174.5	174.3	-174	-165.3	-2.9	112.4	F484 D485 F491 Y492 P658 F659	F484-R488 HydrophobicContact CB-CB 4.23Å; F484-R488 HydrophobicContact CB-CG 4.19Å; F484-R488 HydrophobicContact CG-CG 4.21Å; D485-R488 PolarHBondContact O-N 3.32Å; D485-R488 PolarHBondContact OD1-N 3.35Å; D485-R488 WeakPolarHBondContact OD2-CB 3.42Å; R488-F491 PolarHBondContact O-N 3.25Å; R488-Y492 HydrophobicContact CG-CD2 3.98Å; R488-Y492 HydrophobicContact CG-CE2 3.47Å; R488-Y492 VanDerWaalsContact CG-CE2 3.47Å; R488-Y492 VanDerWaalsContact NE-CE2 3.26Å; R488-Y492 PolarHBondContact NE-OH 3Å; R488-Y492 PolarHBondContact NH2-OH 3.3Å; R488-Y492 VanDerWaalsContact NH2-OH 3.14Å; R488-Y492 PolarHBondContact O-N 3.17Å; R488-Y492 VanDerWaalsContact O-N 3.1Å; R488-P658 HydrophobicContact CB-CG 4.09Å; R488-P658 HydrophobicContact CG-CG 4.26Å; R488-F659 VanDerWaalsContact CZ-CG 3.46Å
489	A	98.4	Very high	95.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-44.6	176.9	0	0	0	0	0	112.5	F484 D485 A493 M580 L581	F484-A489 HydrophobicContact CB-CB 4.33Å; D485-A489 WeakPolarHBondContact O-CB 3.43Å; D485-A489 PolarHBondContact O-N 3.45Å; A489-A493 WeakPolarHBondContact O-CB 3.36Å; A489-A493 PolarHBondContact O-N 3.15Å; A489-M580 HydrophobicContact CB-CB 4.12Å; A489-M580 WeakPolarHBondContact O-CE 3.4Å; A489-L581 HydrophobicContact CB-CD2 3.62Å; A489-L581 HydrophobicContact CB-CG 4.11Å
490	T	98.6	Very high	95.9	Very high	12 Å²	12	33.8 Å²	33.8	7%	0.074	17%	0.174	C	C	.	.	H	α-helix	trans	-64.6	-40.2	177.2	-63.3	0	0	0	0	112.1	L486 H487 A494 F641 F642	L486-T490 WeakPolarHBondContact O-CB 3.29Å; L486-T490 PolarHBondContact O-N 2.92Å; L486-T490 PolarHBondContact O-OG1 3.08Å; H487-T490 PolarHBondContact O-N 3.23Å; T490-A494 WeakPolarHBondContact O-CB 3.3Å; T490-A494 PolarHBondContact O-N 2.82Å; T490-F641 HydrophobicContact CG2-CD1 4.38Å; T490-F641 HydrophobicContact CG2-CE1 4.04Å; T490-F641 HydrophobicContact CG2-CZ 4.44Å; T490-F641 WeakPolarHBondContact OG1-CE1 3.37Å; T490-F641 WeakPolarHBondContact OG1-CZ 3.45Å; T490-F642 HydrophobicContact CG2-CD1 3.94Å; T490-F642 HydrophobicContact CG2-CE1 4.31Å
491	F	98.7	Very high	96.6	Very high	12 Å²	12	31.2 Å²	31.2	5%	0.053	16%	0.155	C	C	.	.	H	α-helix	trans	-61.8	-55.3	177.5	-179.6	-91.3	0	0	0	111.5	H487 R488 A493 A494 E495 H525 L650 V655 P657 P658	H487-F491 WeakPolarHBondContact O-CB 3.26Å; H487-F491 PolarHBondContact O-N 2.86Å; R488-F491 PolarHBondContact O-N 3.25Å; F491-A493 VanDerWaalsContact C-N 3.31Å; F491-A493 PolarHBondContact O-N 2.79Å; F491-A494 PolarHBondContact O-N 2.87Å; F491-A494 VanDerWaalsContact O-N 3.12Å; F491-E495 VanDerWaalsContact CE1-CD 3.42Å; F491-E495 HydrophobicContact CE1-CG 4.24Å; F491-E495 WeakPolarHBondContact CE1-OE1 3.49Å; F491-E495 WeakPolarHBondContact CE1-OE2 3.37Å; F491-E495 HydrophobicContact CZ-CG 4.4Å; F491-E495 VanDerWaalsContact CZ-OE1 3.22Å; F491-E495 WeakPolarHBondContact CZ-OE1 3.36Å; F491-E495 PolarHBondContact O-N 3.38Å; F491-E495 VanDerWaalsContact O-N 3.16Å; F491-H525 AromaticContact CZ-ND1 3.92Å; F491-L650 HydrophobicContact CD2-CD1 4.18Å; F491-L650 HydrophobicContact CE2-CD1 3.69Å; F491-L650 HydrophobicContact CZ-CD1 4.2Å; F491-V655 HydrophobicContact CD2-CG1 4.18Å; F491-V655 HydrophobicContact CE2-CB 4.13Å; F491-V655 HydrophobicContact CE2-CG1 3.78Å; F491-P657 HydrophobicContact CE1-CB 4Å; F491-P657 HydrophobicContact CE1-CG 4.22Å; F491-P657 HydrophobicContact CZ-CB 4.11Å; F491-P657 HydrophobicContact CZ-CG 4Å; F491-P658 HydrophobicContact CB-CG 3.84Å; F491-P658 HydrophobicContact CD1-CG 4.06Å; F491-P658 VanDerWaalsContact CG-CD 3.45Å; F491-P658 HydrophobicContact CG-CG 3.95Å
492	Y	98.8	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.2	-39.7	178.1	-63.8	-26.7	0	0	0	112.3	L474 F484 R488 A494 E495 I496 L520 I526 M580	L474-Y492 HydrophobicContact CD1-CD2 4.23Å; L474-Y492 HydrophobicContact CD2-CD2 3.78Å; L474-Y492 HydrophobicContact CD2-CE2 3.57Å; F484-Y492 HydrophobicContact CD2-CD2 4.08Å; F484-Y492 HydrophobicContact CD2-CE2 4.22Å; F484-Y492 HydrophobicContact CE2-CD2 4.01Å; F484-Y492 HydrophobicContact CE2-CE2 4.01Å; F484-Y492 HydrophobicContact CZ-CE2 4.39Å; R488-Y492 HydrophobicContact CG-CD2 3.98Å; R488-Y492 HydrophobicContact CG-CE2 3.47Å; R488-Y492 VanDerWaalsContact CG-CE2 3.47Å; R488-Y492 VanDerWaalsContact NE-CE2 3.26Å; R488-Y492 PolarHBondContact NE-OH 3Å; R488-Y492 PolarHBondContact NH2-OH 3.3Å; R488-Y492 VanDerWaalsContact NH2-OH 3.14Å; R488-Y492 PolarHBondContact O-N 3.17Å; R488-Y492 VanDerWaalsContact O-N 3.1Å; Y492-A494 VanDerWaalsContact C-N 3.28Å; Y492-A494 PolarHBondContact O-N 2.79Å; Y492-E495 PolarHBondContact O-N 3.3Å; Y492-I496 WeakPolarHBondContact O-CD1 3.25Å; Y492-I496 WeakPolarHBondContact O-CG1 3.47Å; Y492-I496 PolarHBondContact O-N 3.34Å; Y492-L520 HydrophobicContact CD1-CD2 4.49Å; Y492-L520 HydrophobicContact CE1-CD2 3.79Å; Y492-I526 HydrophobicContact CD1-CD1 3.58Å; Y492-I526 HydrophobicContact CD1-CG1 3.51Å; Y492-I526 HydrophobicContact CD2-CD1 4.36Å; Y492-I526 HydrophobicContact CE1-CD1 4.15Å; Y492-I526 HydrophobicContact CE1-CG1 4.26Å; Y492-I526 HydrophobicContact CG-CD1 3.71Å; Y492-I526 HydrophobicContact CG-CG1 3.97Å; Y492-M580 HydrophobicContact CD2-SD 4.17Å
493	A	98.8	Very high	97.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60	-38	176.2	0	0	0	0	0	112.5	A489 F491 V497 F573 L577 M580 F641 F642	A489-A493 WeakPolarHBondContact O-CB 3.36Å; A489-A493 PolarHBondContact O-N 3.15Å; F491-A493 VanDerWaalsContact C-N 3.31Å; F491-A493 PolarHBondContact O-N 2.79Å; A493-V497 VanDerWaalsContact O-CG2 3.24Å; A493-V497 WeakPolarHBondContact O-CG2 3.48Å; A493-V497 PolarHBondContact O-N 2.64Å; A493-F573 HydrophobicContact CB-CE2 4.21Å; A493-F573 HydrophobicContact CB-CZ 3.96Å; A493-F573 WeakPolarHBondContact O-CE2 3.23Å; A493-L577 HydrophobicContact CB-CD1 3.94Å; A493-M580 HydrophobicContact CB-CE 4.06Å; A493-F641 HydrophobicContact CB-CE1 4.31Å; A493-F642 HydrophobicContact CB-CE1 3.98Å; A493-F642 HydrophobicContact CB-CZ 4.1Å
494	A	98.7	Very high	97.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-70	-41.6	177.7	0	0	0	0	0	112.4	T490 F491 Y492 V497 C498 F642 T645 W647 L650	T490-A494 WeakPolarHBondContact O-CB 3.3Å; T490-A494 PolarHBondContact O-N 2.82Å; F491-A494 PolarHBondContact O-N 2.87Å; F491-A494 VanDerWaalsContact O-N 3.12Å; Y492-A494 VanDerWaalsContact C-N 3.28Å; Y492-A494 PolarHBondContact O-N 2.79Å; A494-V497 WeakPolarHBondContact O-CB 3.26Å; A494-V497 PolarHBondContact O-N 3.48Å; A494-C498 PolarHBondContact O-N 3.25Å; A494-C498 VanDerWaalsContact O-N 3.08Å; A494-C498 PolarHBondContact O-SG 3.49Å; A494-F642 HydrophobicContact CB-CD1 4.06Å; A494-F642 HydrophobicContact CB-CE1 3.93Å; A494-T645 HydrophobicContact CB-CG2 3.91Å; A494-W647 HydrophobicContact CB-CH2 3.91Å; A494-W647 HydrophobicContact CB-CZ3 3.89Å; A494-L650 HydrophobicContact CB-CD2 3.41Å; A494-L650 VanDerWaalsContact CB-CD2 3.41Å
495	E	98.7	Very high	97.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.3	-40.6	175.6	-64	-168.9	142.3	0	0	111.9	F448 F491 Y492 V497 C498 G499 H525 I526 L650	F448-E495 HydrophobicContact CD1-CB 3.88Å; F448-E495 HydrophobicContact CD1-CG 4.08Å; F448-E495 HydrophobicContact CD2-CB 4.42Å; F448-E495 HydrophobicContact CE1-CB 3.96Å; F448-E495 VanDerWaalsContact CE1-CD 3.43Å; F448-E495 HydrophobicContact CE1-CG 3.63Å; F448-E495 WeakPolarHBondContact CE1-OE1 3.34Å; F448-E495 HydrophobicContact CE2-CB 4.46Å; F448-E495 HydrophobicContact CE2-CG 4.47Å; F448-E495 HydrophobicContact CG-CB 4.12Å; F448-E495 HydrophobicContact CZ-CB 4.22Å; F448-E495 HydrophobicContact CZ-CG 3.83Å; F491-E495 VanDerWaalsContact CE1-CD 3.42Å; F491-E495 HydrophobicContact CE1-CG 4.24Å; F491-E495 WeakPolarHBondContact CE1-OE1 3.49Å; F491-E495 WeakPolarHBondContact CE1-OE2 3.37Å; F491-E495 HydrophobicContact CZ-CG 4.4Å; F491-E495 VanDerWaalsContact CZ-OE1 3.22Å; F491-E495 WeakPolarHBondContact CZ-OE1 3.36Å; F491-E495 PolarHBondContact O-N 3.38Å; F491-E495 VanDerWaalsContact O-N 3.16Å; Y492-E495 PolarHBondContact O-N 3.3Å; E495-V497 PolarHBondContact O-N 2.95Å; E495-C498 PolarHBondContact O-N 2.91Å; E495-G499 PolarHBondContact O-N 3.3Å; E495-H525 IonicContact OE1-CE1 2.72Å; E495-H525 IonicContact OE1-CG 3.26Å; E495-H525 IonicContact OE1-ND1 3.89Å; E495-H525 PolarHBondContact OE1-ND1 3.39Å; E495-I526 HydrophobicContact CB-CB 3.92Å; E495-I526 HydrophobicContact CB-CG1 4.19Å; E495-I526 VanDerWaalsContact OE2-CB 3.31Å; E495-I526 WeakPolarHBondContact OE2-CB 3.15Å; E495-I526 VanDerWaalsContact OE2-CG1 3.27Å; E495-I526 WeakPolarHBondContact OE2-CG1 3.08Å; E495-I526 PolarHBondContact OE2-N 2.94Å; E495-L650 HydrophobicContact CG-CD1 3.86Å; E495-L650 HydrophobicContact CG-CD2 4.15Å; E495-L650 HydrophobicContact CG-CG 4.13Å
496	I	98.8	Very high	97.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.8	-42.2	173.8	-64.9	164.4	0	0	0	111	Y492 C498 G499 L500 L513 V518 I526 I528 F573 L576	Y492-I496 WeakPolarHBondContact O-CD1 3.25Å; Y492-I496 WeakPolarHBondContact O-CG1 3.47Å; Y492-I496 PolarHBondContact O-N 3.34Å; I496-C498 VanDerWaalsContact C-N 3.33Å; I496-C498 PolarHBondContact O-N 3.27Å; I496-G499 PolarHBondContact O-N 3.03Å; I496-L500 HydrophobicContact CG2-CD1 4Å; I496-L500 HydrophobicContact CG2-CG 4.21Å; I496-L500 WeakPolarHBondContact O-CG 3.29Å; I496-L500 PolarHBondContact O-N 2.73Å; I496-L513 HydrophobicContact CG2-CD1 4.2Å; I496-L513 HydrophobicContact CG2-CD2 4.12Å; I496-V518 HydrophobicContact CD1-CG1 4.06Å; I496-V518 HydrophobicContact CD1-CG2 4.46Å; I496-V518 HydrophobicContact CG1-CG1 4.23Å; I496-I526 HydrophobicContact CG1-CG2 3.93Å; I496-I528 HydrophobicContact CG2-CD1 4.39Å; I496-F573 HydrophobicContact CB-CD2 4.48Å; I496-F573 HydrophobicContact CB-CE2 4.21Å; I496-F573 HydrophobicContact CG2-CD2 3.76Å; I496-F573 HydrophobicContact CG2-CE2 3.99Å; I496-L576 HydrophobicContact CD1-CD1 4.4Å; I496-L576 HydrophobicContact CD1-CD2 3.77Å
497	V	98.6	Very high	97.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58	-43.9	174.9	164	0	0	0	0	111.2	A493 A494 E495 L500 Q501 W570 F573 I636 R637 F642 W647	A493-V497 VanDerWaalsContact O-CG2 3.24Å; A493-V497 WeakPolarHBondContact O-CG2 3.48Å; A493-V497 PolarHBondContact O-N 2.64Å; A494-V497 WeakPolarHBondContact O-CB 3.26Å; A494-V497 PolarHBondContact O-N 3.48Å; E495-V497 PolarHBondContact O-N 2.95Å; V497-L500 PolarHBondContact O-N 3.06Å; V497-Q501 HydrophobicContact CG1-CG 4.39Å; V497-Q501 WeakPolarHBondContact O-CB 3.28Å; V497-Q501 VanDerWaalsContact O-CG 3.31Å; V497-Q501 WeakPolarHBondContact O-CG 3.43Å; V497-Q501 PolarHBondContact O-N 3.3Å; V497-W570 HydrophobicContact CG1-CH2 4.47Å; V497-W570 HydrophobicContact CG2-CZ3 4.13Å; V497-F573 HydrophobicContact CG2-CE1 4.23Å; V497-F573 HydrophobicContact CG2-CE2 3.81Å; V497-F573 HydrophobicContact CG2-CZ 3.57Å; V497-I636 HydrophobicContact CG1-CG2 3.84Å; V497-I636 HydrophobicContact CG2-CD1 4.14Å; V497-I636 HydrophobicContact CG2-CG2 4.4Å; V497-R637 HydrophobicContact CG1-CG 4.3Å; V497-F642 HydrophobicContact CG2-CZ 4.31Å; V497-W647 HydrophobicContact CB-CH2 4.16Å; V497-W647 HydrophobicContact CB-CZ3 4.05Å; V497-W647 HydrophobicContact CG1-CH2 3.84Å; V497-W647 HydrophobicContact CG1-CZ3 3.72Å
498	C	98.2	Very high	97.6	Very high	4 Å²	4	16.9 Å²	16.9	3%	0.027	9%	0.091	C	C	.	.	H	α-helix	trans	-63.2	-41.2	176.5	-67.5	0	0	0	0	112.5	F448 A494 E495 I496 F502 E651	F448-C498 HydrophobicContact CD2-CB 3.65Å; F448-C498 HydrophobicContact CE2-CB 3.74Å; A494-C498 PolarHBondContact O-N 3.25Å; A494-C498 VanDerWaalsContact O-N 3.08Å; A494-C498 PolarHBondContact O-SG 3.49Å; E495-C498 PolarHBondContact O-N 2.91Å; I496-C498 VanDerWaalsContact C-N 3.33Å; I496-C498 PolarHBondContact O-N 3.27Å; C498-F502 WeakPolarHBondContact O-CB 3.4Å; C498-F502 PolarHBondContact O-N 3.48Å; C498-F502 VanDerWaalsContact O-N 3.15Å; C498-E651 HydrophobicContact CB-CG 4.27Å
499	G	98	Very high	97.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.8	-47.4	175.3	0	0	0	0	0	113.2	E495 I496 F502 L503	E495-G499 PolarHBondContact O-N 3.3Å; I496-G499 PolarHBondContact O-N 3.03Å; G499-F502 PolarHBondContact O-N 2.96Å; G499-L503 WeakPolarHBondContact O-CG 3.47Å; G499-L503 PolarHBondContact O-N 3.02Å
500	L	98.2	Very high	97.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.5	-46.6	178.1	-70.4	176.3	0	0	0	112.2	I496 V497 F502 L503 H504 L513 D569 W570 F573	I496-L500 HydrophobicContact CG2-CD1 4Å; I496-L500 HydrophobicContact CG2-CG 4.21Å; I496-L500 WeakPolarHBondContact O-CG 3.29Å; I496-L500 PolarHBondContact O-N 2.73Å; V497-L500 PolarHBondContact O-N 3.06Å; L500-F502 VanDerWaalsContact C-N 3.3Å; L500-F502 PolarHBondContact O-N 2.95Å; L500-L503 WeakPolarHBondContact O-CB 3.39Å; L500-L503 PolarHBondContact O-N 3.23Å; L500-L503 VanDerWaalsContact O-N 3.13Å; L500-H504 PolarHBondContact O-CD2 3.34Å; L500-H504 VanDerWaalsContact O-CG 3.27Å; L500-H504 PolarHBondContact O-N 2.89Å; L500-L513 HydrophobicContact CD1-CD2 3.93Å; L500-L513 HydrophobicContact CD2-CD2 4.45Å; L500-D569 HydrophobicContact CD2-CB 4.24Å; L500-W570 HydrophobicContact CB-CH2 4.32Å; L500-W570 HydrophobicContact CD1-CE3 4.39Å; L500-W570 HydrophobicContact CD1-CH2 4.46Å; L500-W570 HydrophobicContact CD1-CZ3 3.99Å; L500-F573 HydrophobicContact CD1-CB 4.26Å; L500-F573 HydrophobicContact CD1-CD2 4.24Å; L500-F573 HydrophobicContact CD1-CG 4.5Å
501	Q	97.1	Very high	97.3	Very high	51 Å²	51	16.5 Å²	16.5	24%	0.238	9%	0.088	C	C	.	.	H	α-helix	trans	-65.6	-33.5	-179.4	-72.8	-179.8	-42.3	0	0	112.5	V497 H504 S505 W570 R637	V497-Q501 HydrophobicContact CG1-CG 4.39Å; V497-Q501 WeakPolarHBondContact O-CB 3.28Å; V497-Q501 VanDerWaalsContact O-CG 3.31Å; V497-Q501 WeakPolarHBondContact O-CG 3.43Å; V497-Q501 PolarHBondContact O-N 3.3Å; Q501-H504 PolarHBondContact O-N 3.1Å; Q501-S505 VanDerWaalsContact O-CB 3.31Å; Q501-S505 WeakPolarHBondContact O-CB 3.48Å; Q501-S505 PolarHBondContact O-N 3.38Å; Q501-S505 PolarHBondContact O-OG 2.65Å; Q501-W570 HydrophobicContact CG-CH2 3.87Å; Q501-W570 HydrophobicContact CG-CZ2 3.99Å; Q501-R637 VanDerWaalsContact OE1-CZ 3.26Å
502	F	97.2	Very high	97.1	Very high	28 Å²	28	16.2 Å²	16.2	12%	0.123	9%	0.087	C	C	.	.	H	α-helix	trans	-60	-50.2	169.7	173.9	-90.3	0	0	0	111.2	E445 N446 L449 C498 G499 L500 H504 S505 K506	E445-F502 HydrophobicContact CB-CE2 3.9Å; E445-F502 HydrophobicContact CB-CZ 3.89Å; N446-F502 HydrophobicContact CB-CD1 3.95Å; N446-F502 HydrophobicContact CB-CD2 4.13Å; N446-F502 HydrophobicContact CB-CE1 4.1Å; N446-F502 HydrophobicContact CB-CE2 4.28Å; N446-F502 HydrophobicContact CB-CG 3.96Å; N446-F502 HydrophobicContact CB-CZ 4.26Å; N446-F502 VanDerWaalsContact ND2-CB 3.32Å; N446-F502 WeakPolarHBondContact ND2-CB 3.41Å; L449-F502 HydrophobicContact CD1-CD1 3.62Å; L449-F502 HydrophobicContact CD1-CE1 3.89Å; C498-F502 WeakPolarHBondContact O-CB 3.4Å; C498-F502 PolarHBondContact O-N 3.48Å; C498-F502 VanDerWaalsContact O-N 3.15Å; G499-F502 PolarHBondContact O-N 2.96Å; L500-F502 VanDerWaalsContact C-N 3.3Å; L500-F502 PolarHBondContact O-N 2.95Å; F502-H504 PolarHBondContact O-N 3.02Å; F502-S505 PolarHBondContact O-N 3.43Å; F502-S505 PolarHBondContact O-OG 2.83Å; F502-K506 HydrophobicContact CE1-CG 4.28Å; F502-K506 VanDerWaalsContact CE2-CE 3.46Å; F502-K506 HydrophobicContact CZ-CG 4.25Å; F502-K506 WeakPolarHBondContact O-CG 3.17Å; F502-K506 PolarHBondContact O-N 3.17Å
503	L	96.8	Very high	97.1	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-58.6	-47.6	177.4	-66.7	172.7	0	0	0	111.5	V439 L449 G499 L500 S505 K506 G507 I508 Y510 F531	V439-L503 HydrophobicContact CG1-CD2 3.94Å; L449-L503 HydrophobicContact CD1-CD2 3.81Å; L449-L503 HydrophobicContact CD1-CG 4.11Å; L449-L503 HydrophobicContact CD2-CD1 4.37Å; G499-L503 WeakPolarHBondContact O-CG 3.47Å; G499-L503 PolarHBondContact O-N 3.02Å; L500-L503 WeakPolarHBondContact O-CB 3.39Å; L500-L503 PolarHBondContact O-N 3.23Å; L500-L503 VanDerWaalsContact O-N 3.13Å; L503-S505 VanDerWaalsContact C-N 3.34Å; L503-S505 PolarHBondContact O-N 3.26Å; L503-K506 CarbonylContact O-C 3.52Å; L503-K506 PolarHBondContact O-N 3.2Å; L503-K506 VanDerWaalsContact O-N 3.08Å; L503-G507 PolarHBondContact O-N 3.32Å; L503-I508 CarbonylContact C-O 3.51Å; L503-I508 HydrophobicContact CB-CB 4.26Å; L503-I508 HydrophobicContact CD2-CB 4.47Å; L503-I508 HydrophobicContact CD2-CD1 4.41Å; L503-I508 HydrophobicContact CD2-CG2 4.27Å; L503-I508 WeakPolarHBondContact O-CB 3.29Å; L503-I508 PolarHBondContact O-N 3.49Å; L503-Y510 HydrophobicContact CD1-CD2 4.1Å; L503-Y510 HydrophobicContact CD1-CG 4.33Å; L503-F531 HydrophobicContact CD1-CE1 4.18Å; L503-F531 HydrophobicContact CD2-CE1 4.36Å
504	H	96.1	Very high	96.8	Very high	37 Å²	37	17.3 Å²	17.3	17%	0.171	9%	0.092	C	C	.	.	H	α-helix	trans	-59.9	-42.6	178.1	-63	172.7	0	0	0	111.4	L500 Q501 F502 K506 G507 I508 D569 W570	L500-H504 PolarHBondContact O-CD2 3.34Å; L500-H504 VanDerWaalsContact O-CG 3.27Å; L500-H504 PolarHBondContact O-N 2.89Å; Q501-H504 PolarHBondContact O-N 3.1Å; F502-H504 PolarHBondContact O-N 3.02Å; H504-K506 PolarHBondContact O-N 2.89Å; H504-G507 WeakPolarHBondContact O-CA 3.43Å; H504-G507 PolarHBondContact O-N 3.09Å; H504-I508 PolarHBondContact CD2-O 3.38Å; H504-I508 PolarHBondContact N-O 3.16Å; H504-D569 IonicContact CD2-OD2 3.74Å; H504-D569 IonicContact CE1-OD2 3.62Å; H504-D569 IonicContact NE2-OD2 2.73Å; H504-D569 PolarHBondContact NE2-OD2 3.34Å; H504-W570 AromaticContact CE1-CE2 3.91Å; H504-W570 AromaticContact CE1-CZ2 3.99Å; H504-W570 AromaticContact CE1-NE1 3.89Å; H504-W570 AromaticContact ND1-CZ2 3.85Å; H504-W570 AromaticContact ND1-NE1 3.97Å
505	S	94.8	Very high	96.6	Very high	91 Å²	91	17.3 Å²	17.3	64%	0.636	9%	0.092	S	C	*	.	H	α-helix	trans	-63.1	-23.7	176.9	79.5	0	0	0	0	114.2	Q501 F502 L503 G507	Q501-S505 VanDerWaalsContact O-CB 3.31Å; Q501-S505 WeakPolarHBondContact O-CB 3.48Å; Q501-S505 PolarHBondContact O-N 3.38Å; Q501-S505 PolarHBondContact O-OG 2.65Å; F502-S505 PolarHBondContact O-N 3.43Å; F502-S505 PolarHBondContact O-OG 2.83Å; L503-S505 VanDerWaalsContact C-N 3.34Å; L503-S505 PolarHBondContact O-N 3.26Å; S505-G507 VanDerWaalsContact C-N 3.34Å
506	K	95.1	Very high	96.2	Very high	87 Å²	87	20.1 Å²	20.1	38%	0.378	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	6.9	174.7	-57.3	-72.8	-173.8	166.8	0	112.1	E445 F502 L503 H504 I508	E445-K506 IonicContact OE1-NZ 3.58Å; E445-K506 WeakPolarHBondContact OE2-CE 3.2Å; E445-K506 IonicContact OE2-NZ 3.88Å; E445-K506 PolarHBondContact OE2-NZ 2.82Å; F502-K506 HydrophobicContact CE1-CG 4.28Å; F502-K506 VanDerWaalsContact CE2-CE 3.46Å; F502-K506 HydrophobicContact CZ-CG 4.25Å; F502-K506 WeakPolarHBondContact O-CG 3.17Å; F502-K506 PolarHBondContact O-N 3.17Å; L503-K506 CarbonylContact O-C 3.52Å; L503-K506 PolarHBondContact O-N 3.2Å; L503-K506 VanDerWaalsContact O-N 3.08Å; H504-K506 PolarHBondContact O-N 2.89Å; K506-I508 HydrophobicContact CB-CD1 3.93Å; K506-I508 HydrophobicContact CB-CG1 4.35Å
507	G	95.4	Very high	96	Very high	11 Å²	11	20.8 Å²	20.8	11%	0.113	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	34	-177.6	0	0	0	0	0	113.6	L503 H504 S505 E536 N537 M538	L503-G507 PolarHBondContact O-N 3.32Å; H504-G507 WeakPolarHBondContact O-CA 3.43Å; H504-G507 PolarHBondContact O-N 3.09Å; S505-G507 VanDerWaalsContact C-N 3.34Å; G507-E536 CarbonylContact O-C 3.53Å; G507-N537 PolarHBondContact O-N 3.39Å; G507-N537 VanDerWaalsContact O-N 3.07Å; G507-M538 PolarHBondContact O-N 3.23Å
508	I	96.6	Very high	96	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.015	11%	0.11	C	C	.	.			trans	-119.7	123.2	-177.8	-56.9	162.5	0	0	0	109.7	V439 L442 L503 H504 K506 C534 K535 E536	V439-I508 HydrophobicContact CG1-CD1 4.36Å; V439-I508 HydrophobicContact CG1-CG2 4.34Å; V439-I508 HydrophobicContact CG2-CD1 4.11Å; V439-I508 HydrophobicContact CG2-CG2 4Å; L442-I508 HydrophobicContact CD1-CD1 4.01Å; L503-I508 CarbonylContact C-O 3.51Å; L503-I508 HydrophobicContact CB-CB 4.26Å; L503-I508 HydrophobicContact CD2-CB 4.47Å; L503-I508 HydrophobicContact CD2-CD1 4.41Å; L503-I508 HydrophobicContact CD2-CG2 4.27Å; L503-I508 WeakPolarHBondContact O-CB 3.29Å; L503-I508 PolarHBondContact O-N 3.49Å; H504-I508 PolarHBondContact CD2-O 3.38Å; H504-I508 PolarHBondContact N-O 3.16Å; K506-I508 HydrophobicContact CB-CD1 3.93Å; K506-I508 HydrophobicContact CB-CG1 4.35Å; I508-C534 HydrophobicContact CG2-CB 3.99Å; I508-K535 WeakPolarHBondContact CA-O 3.24Å; I508-E536 HydrophobicContact CG1-CG 4.23Å
509	I	97.1	Very high	96	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.015	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-95.7	140	169.1	-50.5	167.9	0	0	0	108.5	R511 C534 K535 M538 V568 D569	I509-R511 HydrophobicContact CB-CG 4.11Å; I509-R511 HydrophobicContact CG2-CG 3.47Å; I509-R511 VanDerWaalsContact CG2-CG 3.47Å; I509-C534 CarbonylContact O-C 3.53Å; I509-C534 VanDerWaalsContact O-CA 3.23Å; I509-C534 WeakPolarHBondContact O-CA 3.42Å; I509-K535 HydrophobicContact CB-CB 4.48Å; I509-K535 PolarHBondContact N-O 2.83Å; I509-K535 PolarHBondContact O-N 3.49Å; I509-M538 HydrophobicContact CD1-CB 3.77Å; I509-M538 HydrophobicContact CD1-CE 3.51Å; I509-M538 HydrophobicContact CD1-CG 3.57Å; I509-M538 HydrophobicContact CD1-SD 4.21Å; I509-M538 HydrophobicContact CG1-CB 3.81Å; I509-M538 HydrophobicContact CG1-CG 3.88Å; I509-V568 HydrophobicContact CG2-CG2 3.84Å; I509-D569 VanDerWaalsContact CG2-OD2 3.24Å; I509-D569 WeakPolarHBondContact CG2-OD2 3.22Å
510	Y	97.4	Very high	95.9	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	12%	0.119	C	C	.	.			trans	-86.8	-48.5	-173.1	-178.4	-111.1	0	0	0	113.9	L503 D512 L513 N517 I528 A529 D530 F531 M533 D569	L503-Y510 HydrophobicContact CD1-CD2 4.1Å; L503-Y510 HydrophobicContact CD1-CG 4.33Å; Y510-D512 VanDerWaalsContact C-N 3.3Å; Y510-D512 WeakPolarHBondContact CE1-O 3.14Å; Y510-D512 PolarHBondContact O-N 3.33Å; Y510-L513 HydrophobicContact CD1-CB 3.94Å; Y510-L513 HydrophobicContact CE1-CB 4.03Å; Y510-L513 HydrophobicContact CE1-CD1 4.25Å; Y510-N517 WeakPolarHBondContact OH-CB 3.29Å; Y510-N517 PolarHBondContact OH-ND2 3.32Å; Y510-I528 HydrophobicContact CD2-CG2 4.38Å; Y510-I528 HydrophobicContact CE1-CG2 4.01Å; Y510-I528 HydrophobicContact CE2-CG2 3.74Å; Y510-A529 PolarHBondContact OH-O 2.9Å; Y510-D530 PolarHBondContact OH-O 3.39Å; Y510-F531 AromaticContact CD2-CD1 3.86Å; Y510-F531 HydrophobicContact CD2-CD1 3.86Å; Y510-F531 HydrophobicContact CD2-CE1 4.15Å; Y510-F531 AromaticContact CE2-CD1 3.75Å; Y510-F531 HydrophobicContact CE2-CD1 3.75Å; Y510-F531 AromaticContact CE2-CE1 3.99Å; Y510-F531 HydrophobicContact CE2-CE1 3.99Å; Y510-F531 HydrophobicContact CE2-CG 4.39Å; Y510-M533 CarbonylContact O-C 3.56Å; Y510-D569 PolarHBondContact N-OD1 3.05Å; Y510-D569 PolarHBondContact N-OD2 2.9Å
511	R	95.1	Very high	95.8	Very high	18 Å²	18	23.2 Å²	23.2	7%	0.068	12%	0.123	C	C	.	.			trans	66	4	170.2	-48.4	-173.4	-61.9	171.8	-1.6	118.7	I509 M533 C534 C548 Y564 V568 D569	I509-R511 HydrophobicContact CB-CG 4.11Å; I509-R511 HydrophobicContact CG2-CG 3.47Å; I509-R511 VanDerWaalsContact CG2-CG 3.47Å; R511-M533 PolarHBondContact NE-O 2.86Å; R511-M533 PolarHBondContact NH2-O 3.22Å; R511-C534 PolarHBondContact NH2-O 3.5Å; R511-C534 VanDerWaalsContact NH2-O 3.16Å; R511-C548 VanDerWaalsContact CZ-SG 3.53Å; R511-C548 PolarHBondContact NH1-SG 2.89Å; R511-C548 VanDerWaalsContact NH1-SG 3.38Å; R511-Y564 PolarHBondContact NH1-OH 2.7Å; R511-V568 HydrophobicContact CG-CG2 4.18Å; R511-D569 WeakPolarHBondContact CA-OD1 3.41Å; R511-D569 PolarHBondContact N-OD1 3.42Å
512	D	94.6	Very high	95.7	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.032	13%	0.129	C	C	.	.			trans	-140.1	43.6	173.5	-161.5	40.7	0	0	0	112.6	Y510 K514 N517 M533 T550	Y510-D512 VanDerWaalsContact C-N 3.3Å; Y510-D512 WeakPolarHBondContact CE1-O 3.14Å; Y510-D512 PolarHBondContact O-N 3.33Å; D512-K514 PolarHBondContact O-N 3.01Å; D512-K514 IonicContact OD1-NZ 3.73Å; D512-K514 PolarHBondContact OD1-NZ 3.23Å; D512-K514 IonicContact OD2-NZ 3.17Å; D512-K514 PolarHBondContact OD2-NZ 3Å; D512-N517 PolarHBondContact O-ND2 3.34Å; D512-N517 PolarHBondContact OD2-ND2 3.48Å; D512-N517 VanDerWaalsContact OD2-ND2 3.14Å; D512-M533 HydrophobicContact CB-CB 3.77Å; D512-M533 HydrophobicContact CB-CG 3.9Å; D512-T550 WeakPolarHBondContact OD1-CB 3.48Å; D512-T550 PolarHBondContact OD1-N 3.23Å; D512-T550 PolarHBondContact OD1-OG1 2.83Å
513	L	97.5	Very high	95.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.138	C	C	.	.			trans	-72.5	120.1	176	-172.3	64.6	0	0	0	111	I496 L500 Y510 V518 Y553 F573 L576	I496-L513 HydrophobicContact CG2-CD1 4.2Å; I496-L513 HydrophobicContact CG2-CD2 4.12Å; L500-L513 HydrophobicContact CD1-CD2 3.93Å; L500-L513 HydrophobicContact CD2-CD2 4.45Å; Y510-L513 HydrophobicContact CD1-CB 3.94Å; Y510-L513 HydrophobicContact CE1-CB 4.03Å; Y510-L513 HydrophobicContact CE1-CD1 4.25Å; L513-V518 HydrophobicContact CD1-CG2 3.89Å; L513-Y553 WeakPolarHBondContact O-CD1 3.43Å; L513-Y553 VanDerWaalsContact O-CG 3.25Å; L513-F573 HydrophobicContact CD2-CB 3.85Å; L513-F573 HydrophobicContact CD2-CD2 4.37Å; L513-L576 HydrophobicContact CD1-CD1 3.88Å; L513-L576 HydrophobicContact CD2-CD1 4.4Å; L513-L576 HydrophobicContact CG-CD1 3.77Å
514	K	93.8	Very high	95.6	Very high	22 Å²	22	24.8 Å²	24.8	10%	0.096	14%	0.138	C	C	.	.			trans	-158.8	159.8	178.5	63	-166.3	177.1	-146.3	0	110.1	D512 D516 N517 V518 T550 Y553	D512-K514 PolarHBondContact O-N 3.01Å; D512-K514 IonicContact OD1-NZ 3.73Å; D512-K514 PolarHBondContact OD1-NZ 3.23Å; D512-K514 IonicContact OD2-NZ 3.17Å; D512-K514 PolarHBondContact OD2-NZ 3Å; K514-D516 HydrophobicContact CD-CB 4.23Å; K514-D516 HydrophobicContact CG-CB 4.04Å; K514-D516 PolarHBondContact O-N 2.66Å; K514-D516 VanDerWaalsContact O-N 3.17Å; K514-N517 VanDerWaalsContact CE-CG 3.42Å; K514-N517 WeakPolarHBondContact CE-ND2 3.47Å; K514-N517 WeakPolarHBondContact CE-OD1 3.41Å; K514-N517 HydrophobicContact CG-CB 4.04Å; K514-N517 PolarHBondContact O-N 3.44Å; K514-V518 WeakPolarHBondContact O-CG2 3.28Å; K514-T550 HydrophobicContact CD-CG2 4Å; K514-T550 VanDerWaalsContact CD-OG1 3.29Å; K514-T550 WeakPolarHBondContact CD-OG1 3.15Å; K514-T550 PolarHBondContact NZ-OG1 2.83Å; K514-Y553 VanDerWaalsContact CA-CZ 3.47Å; K514-Y553 HydrophobicContact CB-CD1 4.47Å; K514-Y553 HydrophobicContact CB-CD2 3.78Å; K514-Y553 HydrophobicContact CB-CE1 4.11Å; K514-Y553 HydrophobicContact CB-CE2 3.31Å; K514-Y553 HydrophobicContact CB-CG 4.32Å; K514-Y553 VanDerWaalsContact CB-CZ 3.49Å
515	L	93.7	Very high	95.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-52.5	-37.7	178.6	-64.4	173.4	0	0	0	113.1	L474 M475 I478 N517 V518 Y553 L576 E579 M580	L474-L515 HydrophobicContact CB-CB 4.2Å; L474-L515 HydrophobicContact CB-CD2 3.86Å; L474-L515 HydrophobicContact CD1-CD2 4.19Å; L474-L515 PolarHBondContact N-O 3.07Å; M475-L515 HydrophobicContact CB-CB 3.99Å; M475-L515 HydrophobicContact CE-CB 4.44Å; M475-L515 HydrophobicContact CE-CD1 4.16Å; I478-L515 HydrophobicContact CD1-CD1 4.39Å; I478-L515 HydrophobicContact CG2-CD1 3.91Å; L515-N517 VanDerWaalsContact C-N 3.28Å; L515-N517 PolarHBondContact O-N 2.64Å; L515-V518 PolarHBondContact O-N 2.94Å; L515-Y553 PolarHBondContact N-OH 3.49Å; L515-L576 HydrophobicContact CD2-CD1 4.46Å; L515-L576 HydrophobicContact CD2-CD2 4Å; L515-L576 HydrophobicContact CD2-CG 3.82Å; L515-L576 HydrophobicContact CG-CG 4.36Å; L515-E579 HydrophobicContact CD1-CB 4.24Å; L515-M580 HydrophobicContact CD2-CG 3.97Å
516	D	90.6	Very high	95.9	Very high	60 Å²	60	19.1 Å²	19.1	32%	0.321	10%	0.102	S	C	.	.	G	3₁₀ helix	trans	-66	-25.5	-178.5	-41.2	-108.4	0	0	0	113.4	R151 K514	R151-D516 IonicContact NH1-OD2 3.14Å; R151-D516 PolarHBondContact NH1-OD2 2.73Å; K514-D516 HydrophobicContact CD-CB 4.23Å; K514-D516 HydrophobicContact CG-CB 4.04Å; K514-D516 PolarHBondContact O-N 2.66Å; K514-D516 VanDerWaalsContact O-N 3.17Å
517	N	94.8	Very high	96.1	Very high	14 Å²	14	15.1 Å²	15.1	8%	0.075	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-96.8	4.7	178.8	-75.9	3.5	0	0	0	113	Y510 D512 K514 L515 A529	Y510-N517 WeakPolarHBondContact OH-CB 3.29Å; Y510-N517 PolarHBondContact OH-ND2 3.32Å; D512-N517 PolarHBondContact O-ND2 3.34Å; D512-N517 PolarHBondContact OD2-ND2 3.48Å; D512-N517 VanDerWaalsContact OD2-ND2 3.14Å; K514-N517 VanDerWaalsContact CE-CG 3.42Å; K514-N517 WeakPolarHBondContact CE-ND2 3.47Å; K514-N517 WeakPolarHBondContact CE-OD1 3.41Å; K514-N517 HydrophobicContact CG-CB 4.04Å; K514-N517 PolarHBondContact O-N 3.44Å; L515-N517 VanDerWaalsContact C-N 3.28Å; L515-N517 PolarHBondContact O-N 2.64Å; N517-A529 PolarHBondContact O-N 3.21Å
518	V	97.8	Very high	96.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	102.3	-177.8	-178	0	0	0	0	108.1	D473 L474 I496 L513 K514 L515 I526 L576	D473-V518 WeakPolarHBondContact CA-O 3.43Å; L474-V518 HydrophobicContact CD1-CB 4.04Å; L474-V518 HydrophobicContact CD1-CG1 3.56Å; L474-V518 HydrophobicContact CG-CB 4.17Å; L474-V518 HydrophobicContact CG-CG1 3.88Å; L474-V518 PolarHBondContact N-O 2.86Å; I496-V518 HydrophobicContact CD1-CG1 4.06Å; I496-V518 HydrophobicContact CD1-CG2 4.46Å; I496-V518 HydrophobicContact CG1-CG1 4.23Å; L513-V518 HydrophobicContact CD1-CG2 3.89Å; K514-V518 WeakPolarHBondContact O-CG2 3.28Å; L515-V518 PolarHBondContact O-N 2.94Å; V518-I526 HydrophobicContact CG1-CD1 3.49Å; V518-I526 VanDerWaalsContact CG1-CD1 3.49Å; V518-I526 HydrophobicContact CG1-CG1 4.47Å; V518-I526 HydrophobicContact CG1-CG2 3.52Å; V518-L576 HydrophobicContact CG2-CD1 3.98Å
519	L	97.4	Very high	96.1	Very high	40 Å²	40	15.1 Å²	15.1	21%	0.209	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	157.2	-173.8	-51.8	-175.1	0	0	0	111.3	L469 D473 I526 K527 A529	L469-L519 HydrophobicContact CB-CB 4.39Å; L469-L519 HydrophobicContact CB-CD1 4.28Å; L469-L519 HydrophobicContact CD1-CB 4.11Å; L469-L519 HydrophobicContact CD1-CD1 3.85Å; D473-L519 HydrophobicContact CB-CD2 3.58Å; L519-I526 CarbonylContact O-C 3.49Å; L519-I526 WeakPolarHBondContact O-CA 3.16Å; L519-K527 HydrophobicContact CB-CB 4.36Å; L519-K527 PolarHBondContact N-O 3.42Å; L519-K527 PolarHBondContact O-N 3.03Å; L519-A529 HydrophobicContact CD1-CB 3.73Å; L519-A529 HydrophobicContact CG-CB 3.98Å
520	L	97.2	Very high	95.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	141.3	167.7	-61.9	-178.5	0	0	0	111	G471 G472 L474 Y492 H525 I526 F659 P661	G471-L520 WeakPolarHBondContact CA-O 3.26Å; G471-L520 PolarHBondContact N-O 3.38Å; G472-L520 PolarHBondContact O-N 3.34Å; L474-L520 HydrophobicContact CD2-CD1 4.37Å; L474-L520 HydrophobicContact CD2-CD2 4.06Å; L474-L520 HydrophobicContact CD2-CG 4.2Å; Y492-L520 HydrophobicContact CD1-CD2 4.49Å; Y492-L520 HydrophobicContact CE1-CD2 3.79Å; L520-H525 WeakPolarHBondContact CA-O 3.36Å; L520-I526 HydrophobicContact CD2-CD1 3.64Å; L520-I526 HydrophobicContact CD2-CG1 4.3Å; L520-F659 HydrophobicContact CD1-CD1 4.06Å; L520-F659 HydrophobicContact CD1-CE1 4.05Å; L520-P661 HydrophobicContact CB-CG 4.22Å; L520-P661 HydrophobicContact CD1-CG 4.23Å
521	D	95.9	Very high	95.5	Very high	14 Å²	14	18.2 Å²	18.2	8%	0.075	10%	0.1	C	C	.	.			trans	-83	-177.9	164.9	75.4	11.3	0	0	0	112.4	L469 D523 G524 H525 R653	L469-D521 HydrophobicContact CD2-CB 3.83Å; D521-D523 PolarHBondContact O-N 3.38Å; D521-D523 WeakPolarHBondContact OD1-CA 3.49Å; D521-D523 PolarHBondContact OD1-N 3.22Å; D521-G524 PolarHBondContact O-N 3.06Å; D521-G524 PolarHBondContact OD1-N 2.77Å; D521-H525 PolarHBondContact N-O 3.26Å; D521-H525 PolarHBondContact OD1-N 3.03Å; D521-R653 IonicContact OD1-NH2 3.5Å; D521-R653 IonicContact OD2-CZ 3.49Å; D521-R653 IonicContact OD2-NH1 3.39Å; D521-R653 PolarHBondContact OD2-NH1 3.06Å; D521-R653 IonicContact OD2-NH2 3.88Å; D521-R653 PolarHBondContact OD2-NH2 2.9Å
522	S	95.1	Very high	95.1	Very high	52 Å²	52	18 Å²	18	36%	0.364	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.1	-177.9	55.3	0	0	0	0	115.2	R660	S522-R660 PolarHBondContact O-NE 2.83Å
523	D	95.6	Very high	94.7	Very high	61 Å²	61	18.9 Å²	18.9	33%	0.326	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-16.5	178	-63	-37.7	0	0	0	111.8	D521 R653 P657 R660	D521-D523 PolarHBondContact O-N 3.38Å; D521-D523 WeakPolarHBondContact OD1-CA 3.49Å; D521-D523 PolarHBondContact OD1-N 3.22Å; D523-R653 IonicContact OD2-NH2 3.92Å; D523-P657 WeakPolarHBondContact O-CG 3.49Å; D523-R660 IonicContact OD1-CZ 2.78Å; D523-R660 IonicContact OD1-NE 3.54Å; D523-R660 IonicContact OD1-NH2 3.52Å; D523-R660 PolarHBondContact OD1-NH2 2.84Å
524	G	96.9	Very high	94.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	101.9	13.4	177.1	0	0	0	0	0	114.3	D521 F659	D521-G524 PolarHBondContact O-N 3.06Å; D521-G524 PolarHBondContact OD1-N 2.77Å; G524-F659 WeakPolarHBondContact CA-O 3.22Å
525	H	98.4	Very high	94.5	Very high	9 Å²	9	21.8 Å²	21.8	4%	0.042	12%	0.121	C	C	.	.			trans	-82.9	152.5	172.3	-66.9	-91.4	0	0	0	111.4	F491 E495 L520 D521 R653 V655 P657	F491-H525 AromaticContact CZ-ND1 3.92Å; E495-H525 IonicContact OE1-CE1 2.72Å; E495-H525 IonicContact OE1-CG 3.26Å; E495-H525 IonicContact OE1-ND1 3.89Å; E495-H525 PolarHBondContact OE1-ND1 3.39Å; L520-H525 WeakPolarHBondContact CA-O 3.36Å; D521-H525 PolarHBondContact N-O 3.26Å; D521-H525 PolarHBondContact OD1-N 3.03Å; H525-R653 VanDerWaalsContact CD2-CZ 3.4Å; H525-R653 PolarHBondContact CD2-NE 3.36Å; H525-R653 PolarHBondContact CD2-NH2 2.82Å; H525-V655 PolarHBondContact CE1-O 2.9Å; H525-P657 WeakPolarHBondContact CD2-CG 3.46Å; H525-P657 WeakPolarHBondContact NE2-CD 3.47Å; H525-P657 WeakPolarHBondContact NE2-CG 3.24Å
526	I	98.1	Very high	94.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	142.6	-178.9	-66.1	-75.3	0	0	0	112.4	F448 L474 Y492 E495 I496 V518 L519 L520	F448-I526 WeakPolarHBondContact CA-O 3.38Å; L474-I526 HydrophobicContact CD1-CD1 3.87Å; L474-I526 HydrophobicContact CD2-CD1 4.01Å; L474-I526 HydrophobicContact CG-CD1 4.1Å; Y492-I526 HydrophobicContact CD1-CD1 3.58Å; Y492-I526 HydrophobicContact CD1-CG1 3.51Å; Y492-I526 HydrophobicContact CD2-CD1 4.36Å; Y492-I526 HydrophobicContact CE1-CD1 4.15Å; Y492-I526 HydrophobicContact CE1-CG1 4.26Å; Y492-I526 HydrophobicContact CG-CD1 3.71Å; Y492-I526 HydrophobicContact CG-CG1 3.97Å; E495-I526 HydrophobicContact CB-CB 3.92Å; E495-I526 HydrophobicContact CB-CG1 4.19Å; E495-I526 VanDerWaalsContact OE2-CB 3.31Å; E495-I526 WeakPolarHBondContact OE2-CB 3.15Å; E495-I526 VanDerWaalsContact OE2-CG1 3.27Å; E495-I526 WeakPolarHBondContact OE2-CG1 3.08Å; E495-I526 PolarHBondContact OE2-N 2.94Å; I496-I526 HydrophobicContact CG1-CG2 3.93Å; V518-I526 HydrophobicContact CG1-CD1 3.49Å; V518-I526 VanDerWaalsContact CG1-CD1 3.49Å; V518-I526 HydrophobicContact CG1-CG1 4.47Å; V518-I526 HydrophobicContact CG1-CG2 3.52Å; L519-I526 CarbonylContact O-C 3.49Å; L519-I526 WeakPolarHBondContact O-CA 3.16Å; L520-I526 HydrophobicContact CD2-CD1 3.64Å; L520-I526 HydrophobicContact CD2-CG1 4.3Å
527	K	98.1	Very high	94.4	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.017	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	110.7	170.5	-75.3	-77.7	-170.1	160.9	0	110	P447 F448 L449 H451 E467 L469 L519	P447-K527 WeakPolarHBondContact O-CD 3.23Å; P447-K527 WeakPolarHBondContact O-CE 3.3Å; P447-K527 PolarHBondContact O-NZ 2.96Å; F448-K527 CarbonylContact O-C 3.6Å; F448-K527 WeakPolarHBondContact O-CA 3.35Å; L449-K527 VanDerWaalsContact O-CD 3.25Å; L449-K527 WeakPolarHBondContact O-CD 3.34Å; L449-K527 PolarHBondContact O-NZ 2.94Å; H451-K527 PolarHBondContact CE1-NZ 3.1Å; H451-K527 PolarHBondContact NE2-NZ 3.35Å; E467-K527 WeakPolarHBondContact OE1-CD 3.15Å; E467-K527 VanDerWaalsContact OE1-CE 3.25Å; E467-K527 WeakPolarHBondContact OE1-CE 3.33Å; E467-K527 IonicContact OE1-NZ 3.65Å; E467-K527 PolarHBondContact OE1-NZ 2.89Å; E467-K527 IonicContact OE2-NZ 2.68Å; E467-K527 PolarHBondContact OE2-NZ 3Å; L469-K527 HydrophobicContact CD1-CB 3.5Å; L469-K527 VanDerWaalsContact CD1-CB 3.5Å; L469-K527 HydrophobicContact CD1-CD 4.45Å; L469-K527 HydrophobicContact CD1-CG 3.8Å; L469-K527 HydrophobicContact CD2-CB 4.41Å; L469-K527 HydrophobicContact CD2-CG 3.84Å; L469-K527 HydrophobicContact CG-CG 4.49Å; L519-K527 HydrophobicContact CB-CB 4.36Å; L519-K527 PolarHBondContact N-O 3.42Å; L519-K527 PolarHBondContact O-N 3.03Å
528	I	98.3	Very high	94.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	128.6	171.7	-54.9	176.6	0	0	0	108.8	F448 L449 T450 I496 Y510 F531	F448-I528 PolarHBondContact O-N 2.93Å; L449-I528 HydrophobicContact CD2-CB 3.83Å; L449-I528 HydrophobicContact CD2-CD1 4.01Å; L449-I528 HydrophobicContact CD2-CG1 4.25Å; T450-I528 PolarHBondContact N-O 3.35Å; T450-I528 PolarHBondContact OG1-O 2.97Å; I496-I528 HydrophobicContact CG2-CD1 4.39Å; Y510-I528 HydrophobicContact CD2-CG2 4.38Å; Y510-I528 HydrophobicContact CE1-CG2 4.01Å; Y510-I528 HydrophobicContact CE2-CG2 3.74Å; I528-F531 HydrophobicContact CG2-CE1 4.39Å; I528-F531 HydrophobicContact CG2-CZ 4.41Å; I528-F531 WeakPolarHBondContact O-CE2 3.35Å; I528-F531 WeakPolarHBondContact O-CZ 3.3Å
529	A	94.4	Very high	93.6	Very high	14 Å²	14	34 Å²	34	12%	0.116	18%	0.181	C	C	.	.			trans	-115.3	-176.1	-177.4	0	0	0	0	0	112.5	T450 Y510 N517 L519	T450-A529 WeakPolarHBondContact OG1-CA 3.48Å; T450-A529 WeakPolarHBondContact OG1-CB 3.44Å; Y510-A529 PolarHBondContact OH-O 2.9Å; N517-A529 PolarHBondContact O-N 3.21Å; L519-A529 HydrophobicContact CD1-CB 3.73Å; L519-A529 HydrophobicContact CG-CB 3.98Å
530	D	89.8	Confident	92.5	Very high	67 Å²	67	38.9 Å²	38.9	36%	0.358	21%	0.207	S	C	.	.			trans	44.2	81.2	175	-156.6	8.3	0	0	0	116.6	K417 Y510 G532	K417-D530 IonicContact NZ-OD1 3.34Å; K417-D530 PolarHBondContact NZ-OD1 2.87Å; Y510-D530 PolarHBondContact OH-O 3.39Å; D530-G532 VanDerWaalsContact C-N 3.27Å; D530-G532 PolarHBondContact O-N 3.27Å
531	F	92.3	Very high	91.7	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-88	14.8	-178.6	-57.4	-90.6	0	0	0	113.6	E436 V439 L440 L449 L503 Y510 I528 M533 C534	E436-F531 HydrophobicContact CG-CB 4.12Å; V439-F531 HydrophobicContact CB-CB 4.17Å; V439-F531 HydrophobicContact CG1-CB 3.94Å; V439-F531 HydrophobicContact CG1-CD1 3.51Å; V439-F531 HydrophobicContact CG1-CE1 4.23Å; V439-F531 HydrophobicContact CG1-CG 3.83Å; L440-F531 HydrophobicContact CD2-CD2 3.4Å; L440-F531 HydrophobicContact CD2-CE2 3.52Å; L440-F531 HydrophobicContact CG-CD2 3.71Å; L440-F531 HydrophobicContact CG-CE2 4.32Å; L440-F531 HydrophobicContact CG-CG 4.48Å; L449-F531 HydrophobicContact CB-CZ 4.07Å; L449-F531 HydrophobicContact CD2-CE1 4.15Å; L449-F531 HydrophobicContact CD2-CZ 4.07Å; L449-F531 HydrophobicContact CG-CZ 4.46Å; L503-F531 HydrophobicContact CD1-CE1 4.18Å; L503-F531 HydrophobicContact CD2-CE1 4.36Å; Y510-F531 AromaticContact CD2-CD1 3.86Å; Y510-F531 HydrophobicContact CD2-CD1 3.86Å; Y510-F531 HydrophobicContact CD2-CE1 4.15Å; Y510-F531 AromaticContact CE2-CD1 3.75Å; Y510-F531 HydrophobicContact CE2-CD1 3.75Å; Y510-F531 AromaticContact CE2-CE1 3.99Å; Y510-F531 HydrophobicContact CE2-CE1 3.99Å; Y510-F531 HydrophobicContact CE2-CG 4.39Å; I528-F531 HydrophobicContact CG2-CE1 4.39Å; I528-F531 HydrophobicContact CG2-CZ 4.41Å; I528-F531 WeakPolarHBondContact O-CE2 3.35Å; I528-F531 WeakPolarHBondContact O-CZ 3.3Å; F531-M533 PolarHBondContact O-N 3.39Å; F531-C534 WeakPolarHBondContact O-CB 3.41Å; F531-C534 PolarHBondContact O-N 3.44Å; F531-C534 VanDerWaalsContact O-N 3.13Å
532	G	86.8	Confident	91.3	Very high	15 Å²	15	49.8 Å²	49.8	16%	0.155	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-61.3	-23	-178.5	0	0	0	0	0	114.9	C432 D530	C432-G532 WeakPolarHBondContact CB-O 3.29Å; D530-G532 VanDerWaalsContact C-N 3.27Å; D530-G532 PolarHBondContact O-N 3.27Å
533	M	86.8	Confident	91.1	Very high	24 Å²	24	51.3 Å²	51.3	12%	0.118	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-95.5	-0.3	178.7	-71.6	-67.8	-128.1	0	0	114.2	A154 I155 K156 Y510 R511 D512 F531 C548	A154-M533 HydrophobicContact CB-CE 4.03Å; I155-M533 WeakPolarHBondContact O-CE 3.3Å; K156-M533 HydrophobicContact CB-CE 4.17Å; Y510-M533 CarbonylContact O-C 3.56Å; R511-M533 PolarHBondContact NE-O 2.86Å; R511-M533 PolarHBondContact NH2-O 3.22Å; D512-M533 HydrophobicContact CB-CB 3.77Å; D512-M533 HydrophobicContact CB-CG 3.9Å; F531-M533 PolarHBondContact O-N 3.39Å; M533-C548 HydrophobicContact CE-CB 3.88Å; M533-C548 HydrophobicContact SD-CB 4.19Å
534	C	93.4	Very high	90.6	Very high	4 Å²	4	49.3 Å²	49.3	3%	0.027	25%	0.253	C	S	.	.			trans	-59.6	160	-177.3	-79	0	0	0	0	114.2	V435 V439 I508 I509 R511 F531	V435-C534 HydrophobicContact CG1-CB 3.8Å; V439-C534 HydrophobicContact CG2-CB 3.92Å; I508-C534 HydrophobicContact CG2-CB 3.99Å; I509-C534 CarbonylContact O-C 3.53Å; I509-C534 VanDerWaalsContact O-CA 3.23Å; I509-C534 WeakPolarHBondContact O-CA 3.42Å; R511-C534 PolarHBondContact NH2-O 3.5Å; R511-C534 VanDerWaalsContact NH2-O 3.16Å; F531-C534 WeakPolarHBondContact O-CB 3.41Å; F531-C534 PolarHBondContact O-N 3.44Å; F531-C534 VanDerWaalsContact O-N 3.13Å
535	K	92.3	Very high	89.8	Confident	78 Å²	78	53.3 Å²	53.3	34%	0.339	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-132.9	106.6	170.5	-173.8	63.2	-179.8	162.9	0	110.6	I508 I509 M538 T544	I508-K535 WeakPolarHBondContact CA-O 3.24Å; I509-K535 HydrophobicContact CB-CB 4.48Å; I509-K535 PolarHBondContact N-O 2.83Å; I509-K535 PolarHBondContact O-N 3.49Å; K535-M538 HydrophobicContact CB-CG 4.18Å; K535-M538 HydrophobicContact CG-CG 3.63Å; K535-M538 HydrophobicContact CG-SD 3.7Å; K535-M538 WeakPolarHBondContact O-CG 3.4Å; K535-T544 HydrophobicContact CG-CG2 4.33Å
536	E	93	Very high	88.8	Confident	28 Å²	28	55.1 Å²	55.1	13%	0.131	29%	0.292	C	S	.	.			trans	-74.8	167.2	171.6	-63.2	165.4	115.6	0	0	112.2	V435 R438 V439 G507 I508	V435-E536 HydrophobicContact CG1-CG 4.19Å; V435-E536 WeakPolarHBondContact CG2-OE2 3.34Å; R438-E536 WeakPolarHBondContact CB-OE1 3.44Å; R438-E536 WeakPolarHBondContact CD-OE1 3.19Å; R438-E536 IonicContact CZ-OE1 2.74Å; R438-E536 IonicContact CZ-OE2 2.95Å; R438-E536 VanDerWaalsContact NE-CD 3.3Å; R438-E536 IonicContact NE-OE1 2.71Å; R438-E536 PolarHBondContact NE-OE1 3.22Å; R438-E536 IonicContact NE-OE2 3.15Å; R438-E536 PolarHBondContact NE-OE2 2.85Å; R438-E536 IonicContact NH2-OE2 3.98Å; R438-E536 PolarHBondContact NH2-OE2 2.97Å; V439-E536 HydrophobicContact CG2-CG 4.08Å; G507-E536 CarbonylContact O-C 3.53Å; I508-E536 HydrophobicContact CG1-CG 4.23Å
537	N	90.6	Very high	87.8	Confident	136 Å²	136	56.8 Å²	56.8	73%	0.727	30%	0.3	S	S	*	.			trans	61.4	42	178.5	-54.1	-32.5	0	0	0	113	G507 L542	G507-N537 PolarHBondContact O-N 3.39Å; G507-N537 VanDerWaalsContact O-N 3.07Å; N537-L542 WeakPolarHBondContact O-CD1 3.26Å
538	M	90	Very high	86.9	Confident	20 Å²	20	56.6 Å²	56.6	10%	0.099	30%	0.299	C	S	.	.			trans	-110.2	71.5	178.9	-62.9	-61.2	-55.1	0	0	110	G507 I509 K535 L542 T544	G507-M538 PolarHBondContact O-N 3.23Å; I509-M538 HydrophobicContact CD1-CB 3.77Å; I509-M538 HydrophobicContact CD1-CE 3.51Å; I509-M538 HydrophobicContact CD1-CG 3.57Å; I509-M538 HydrophobicContact CD1-SD 4.21Å; I509-M538 HydrophobicContact CG1-CB 3.81Å; I509-M538 HydrophobicContact CG1-CG 3.88Å; K535-M538 HydrophobicContact CB-CG 4.18Å; K535-M538 HydrophobicContact CG-CG 3.63Å; K535-M538 HydrophobicContact CG-SD 3.7Å; K535-M538 WeakPolarHBondContact O-CG 3.4Å; M538-L542 HydrophobicContact CE-CB 4.46Å; M538-L542 WeakPolarHBondContact CE-O 3.4Å; M538-T544 HydrophobicContact CE-CG2 4.34Å
539	Q	84.5	Confident	85.9	Confident	147 Å²	147	56.8 Å²	56.8	69%	0.687	30%	0.301	S	S	*	.			trans	-71.8	166.1	166.5	-66.4	-177.8	-10.3	0	0	110.6	D541 L542	Q539-D541 VanDerWaalsContact C-N 3.29Å; Q539-D541 PolarHBondContact O-N 3.38Å; Q539-D541 VanDerWaalsContact O-N 3.09Å; Q539-L542 HydrophobicContact CB-CD1 4.27Å; Q539-L542 WeakPolarHBondContact O-CB 3.38Å; Q539-L542 PolarHBondContact O-N 3.04Å
540	D	74.6	Confident	85.3	Confident	142 Å²	142	56.3 Å²	56.3	76%	0.759	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-32.4	-163.1	-61.8	-34.1	0	0	0	115.7	R543	D540-R543 PolarHBondContact O-NH1 3.27Å
541	D	81	Confident	85.1	Confident	158 Å²	158	53.1 Å²	53.1	85%	0.845	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-14.5	177.1	-67.1	-38.1	0	0	0	113.9	Q539	Q539-D541 VanDerWaalsContact C-N 3.29Å; Q539-D541 PolarHBondContact O-N 3.38Å; Q539-D541 VanDerWaalsContact O-N 3.09Å
542	L	88.3	Confident	84.9	Confident	86 Å²	86	54 Å²	54	45%	0.45	28%	0.284	S	S	.	.			trans	-82	143.4	-175.3	-63	175.8	0	0	0	110.8	N537 M538 Q539	N537-L542 WeakPolarHBondContact O-CD1 3.26Å; M538-L542 HydrophobicContact CE-CB 4.46Å; M538-L542 WeakPolarHBondContact CE-O 3.4Å; Q539-L542 HydrophobicContact CB-CD1 4.27Å; Q539-L542 WeakPolarHBondContact O-CB 3.38Å; Q539-L542 PolarHBondContact O-N 3.04Å
543	R	90.4	Very high	85.2	Confident	83 Å²	83	53.4 Å²	53.4	31%	0.313	28%	0.277	S	S	.	.			trans	-137.7	140.2	-179.7	-60.1	-75.4	-178.9	-72.4	0.4	110.1	D540 K563 Y564 N565 E627	D540-R543 PolarHBondContact O-NH1 3.27Å; R543-K563 HydrophobicContact CB-CB 3.69Å; R543-K563 HydrophobicContact CB-CD 4.45Å; R543-Y564 CarbonylContact C-O 3.53Å; R543-Y564 VanDerWaalsContact CA-O 3.3Å; R543-Y564 WeakPolarHBondContact CA-O 3.46Å; R543-Y564 VanDerWaalsContact CD-C 3.47Å; R543-N565 PolarHBondContact NH1-ND2 3.16Å; R543-N565 PolarHBondContact NH2-ND2 3.48Å; R543-N565 VanDerWaalsContact NH2-ND2 3.19Å; R543-E627 IonicContact CZ-OE1 3.53Å; R543-E627 IonicContact NE-OE1 2.68Å; R543-E627 IonicContact NH2-OE1 3.15Å; R543-E627 PolarHBondContact NH2-OE1 2.85Å; R543-E627 IonicContact NH2-OE2 2.85Å
544	T	84.6	Confident	85.4	Confident	20 Å²	20	52.4 Å²	52.4	12%	0.123	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-116.3	166.2	176.7	-157.1	0	0	0	0	111.4	K535 M538 K563 Y564	K535-T544 HydrophobicContact CG-CG2 4.33Å; M538-T544 HydrophobicContact CE-CG2 4.34Å; T544-K563 CarbonylContact O-C 3.53Å; T544-K563 VanDerWaalsContact O-CA 3.23Å; T544-K563 WeakPolarHBondContact O-CA 3.24Å; T544-Y564 HydrophobicContact CG2-CD2 3.94Å; T544-Y564 HydrophobicContact CG2-CE1 4.12Å; T544-Y564 HydrophobicContact CG2-CE2 3.33Å; T544-Y564 VanDerWaalsContact CG2-CZ 3.44Å; T544-Y564 PolarHBondContact N-O 2.61Å; T544-Y564 WeakPolarHBondContact O-CD1 3.41Å; T544-Y564 PolarHBondContact O-N 2.72Å
545	S	80.8	Confident	85.5	Confident	83 Å²	83	52.2 Å²	52.2	58%	0.58	27%	0.271	S	S	*	.			trans	-138	27.6	-173	69.1	0	0	0	0	113
546	T	77.4	Confident	85.6	Confident	47 Å²	47	48.6 Å²	48.6	29%	0.288	26%	0.256	S	S	.	.			trans	-80	122.6	178	-52.3	0	0	0	0	108.6	C548 Y564	T546-C548 HydrophobicContact CG2-CB 4.31Å; T546-C548 PolarHBondContact O-N 3.42Å; T546-Y564 WeakPolarHBondContact O-CE1 3.42Å; T546-Y564 PolarHBondContact O-OH 3.32Å
547	F	77.7	Confident	85.6	Confident	35 Å²	35	47.4 Å²	47.4	15%	0.154	25%	0.25	C	C	.	.			trans	-73.4	108.5	169.8	-171.4	-74	0	0	0	108.8	Q157 I554 I558 L559 F596	Q157-F547 HydrophobicContact CB-CB 4.11Å; Q157-F547 HydrophobicContact CG-CB 3.96Å; Q157-F547 HydrophobicContact CG-CD1 3.64Å; Q157-F547 HydrophobicContact CG-CE1 4.39Å; Q157-F547 HydrophobicContact CG-CG 3.95Å; Q157-F547 PolarHBondContact N-O 3.16Å; F547-I554 HydrophobicContact CE1-CD1 4.07Å; F547-I554 HydrophobicContact CZ-CD1 4.19Å; F547-I558 HydrophobicContact CD2-CG2 3.92Å; F547-I558 HydrophobicContact CE2-CG2 4.37Å; F547-I558 HydrophobicContact CG-CG2 4.2Å; F547-L559 HydrophobicContact CE2-CD2 3.87Å; F547-L559 HydrophobicContact CZ-CD2 3.9Å; F547-F596 HydrophobicContact CZ-CE2 4.26Å; F547-F596 HydrophobicContact CZ-CZ 4.23Å
548	C	78.3	Confident	85.4	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.007	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	156.1	179.7	58.9	0	0	0	0	112.4	I155 K156 R511 M533 T546	I155-C548 CarbonylContact O-C 3.59Å; I155-C548 WeakPolarHBondContact O-CA 3.46Å; K156-C548 HydrophobicContact CB-CB 4.42Å; K156-C548 HydrophobicContact CG-CB 4.34Å; R511-C548 VanDerWaalsContact CZ-SG 3.53Å; R511-C548 PolarHBondContact NH1-SG 2.89Å; R511-C548 VanDerWaalsContact NH1-SG 3.38Å; M533-C548 HydrophobicContact CE-CB 3.88Å; M533-C548 HydrophobicContact SD-CB 4.19Å; T546-C548 HydrophobicContact CG2-CB 4.31Å; T546-C548 PolarHBondContact O-N 3.42Å
549	G	77.9	Confident	84.9	Confident	3 Å²	3	41.5 Å²	41.5	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	134.1	172.9	172.7	0	0	0	0	0	112.4	I155	I155-G549 PolarHBondContact N-O 3.09Å; I155-G549 PolarHBondContact O-N 3.4Å
550	T	81.6	Confident	84.5	Confident	4 Å²	4	39.3 Å²	39.3	3%	0.025	21%	0.211	C	C	.	.			trans	-79.3	122.9	172.6	-65.3	0	0	0	0	110.1	R152 D512 K514 D552 Y553 I554	R152-T550 WeakPolarHBondContact O-CG2 3.39Å; D512-T550 WeakPolarHBondContact OD1-CB 3.48Å; D512-T550 PolarHBondContact OD1-N 3.23Å; D512-T550 PolarHBondContact OD1-OG1 2.83Å; K514-T550 HydrophobicContact CD-CG2 4Å; K514-T550 VanDerWaalsContact CD-OG1 3.29Å; K514-T550 WeakPolarHBondContact CD-OG1 3.15Å; K514-T550 PolarHBondContact NZ-OG1 2.83Å; T550-D552 PolarHBondContact O-N 3.01Å; T550-D552 VanDerWaalsContact O-N 3.1Å; T550-Y553 HydrophobicContact CG2-CD2 3.83Å; T550-Y553 HydrophobicContact CG2-CE2 4.31Å; T550-Y553 WeakPolarHBondContact O-CA 3.16Å; T550-Y553 WeakPolarHBondContact O-CB 3.06Å; T550-Y553 PolarHBondContact O-N 3.43Å; T550-I554 WeakPolarHBondContact O-CG1 3.19Å; T550-I554 PolarHBondContact O-N 3.28Å
551	P	85.4	Confident	84.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-45.1	-45.4	-166	-38.5	41.1	0	0	0	117.5	R152 G153 I155 Y553 I554 L595 F596 I599	R152-P551 HydrophobicContact CB-CB 4.2Å; R152-P551 HydrophobicContact CB-CG 3.76Å; G153-P551 WeakPolarHBondContact O-CD 3.34Å; I155-P551 HydrophobicContact CD1-CG 3.67Å; I155-P551 HydrophobicContact CG1-CG 4.04Å; P551-Y553 PolarHBondContact O-N 3.07Å; P551-I554 PolarHBondContact O-N 2.94Å; P551-L595 HydrophobicContact CB-CD2 3.99Å; P551-F596 HydrophobicContact CB-CE1 3.87Å; P551-F596 HydrophobicContact CB-CZ 4.25Å; P551-I599 WeakPolarHBondContact O-CD1 3.33Å
552	D	87.1	Confident	84.7	Confident	20 Å²	20	32.3 Å²	32.3	11%	0.107	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-63.7	-23.1	178.7	-57.2	-90.7	0	0	0	113.8	T550	T550-D552 PolarHBondContact O-N 3.01Å; T550-D552 VanDerWaalsContact O-N 3.1Å
553	Y	94.7	Very high	84.7	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.008	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-104.1	-3	-176.1	-64.2	-91.5	0	0	0	113.9	R151 L513 K514 L515 T550 P551 A555 S572 V575 L576 E579	R151-Y553 VanDerWaalsContact CZ-OH 3.27Å; R151-Y553 PolarHBondContact NH1-OH 2.95Å; R151-Y553 PolarHBondContact NH2-OH 2.9Å; L513-Y553 WeakPolarHBondContact O-CD1 3.43Å; L513-Y553 VanDerWaalsContact O-CG 3.25Å; K514-Y553 VanDerWaalsContact CA-CZ 3.47Å; K514-Y553 HydrophobicContact CB-CD1 4.47Å; K514-Y553 HydrophobicContact CB-CD2 3.78Å; K514-Y553 HydrophobicContact CB-CE1 4.11Å; K514-Y553 HydrophobicContact CB-CE2 3.31Å; K514-Y553 HydrophobicContact CB-CG 4.32Å; K514-Y553 VanDerWaalsContact CB-CZ 3.49Å; L515-Y553 PolarHBondContact N-OH 3.49Å; T550-Y553 HydrophobicContact CG2-CD2 3.83Å; T550-Y553 HydrophobicContact CG2-CE2 4.31Å; T550-Y553 WeakPolarHBondContact O-CA 3.16Å; T550-Y553 WeakPolarHBondContact O-CB 3.06Å; T550-Y553 PolarHBondContact O-N 3.43Å; P551-Y553 PolarHBondContact O-N 3.07Å; Y553-A555 PolarHBondContact O-N 3.37Å; Y553-S572 PolarHBondContact O-OG 2.7Å; Y553-V575 HydrophobicContact CD1-CB 3.61Å; Y553-V575 HydrophobicContact CD1-CG1 3.41Å; Y553-V575 VanDerWaalsContact CD1-CG1 3.41Å; Y553-V575 HydrophobicContact CE1-CB 3.96Å; Y553-V575 HydrophobicContact CE1-CG1 3.5Å; Y553-V575 VanDerWaalsContact CE1-CG1 3.5Å; Y553-V575 HydrophobicContact CG-CB 4.46Å; Y553-V575 HydrophobicContact CG-CG1 4.04Å; Y553-L576 HydrophobicContact CE1-CB 4.03Å; Y553-E579 VanDerWaalsContact CZ-OE2 3.23Å; Y553-E579 PolarHBondContact OH-OE2 2.78Å
554	I	90.6	Very high	84.7	Confident	3 Å²	3	31.9 Å²	31.9	2%	0.015	18%	0.183	C	C	.	.			trans	-69.3	129	-175.9	-60.9	-176.6	0	0	0	110	F547 T550 P551 I558 L559 W571 F596	F547-I554 HydrophobicContact CE1-CD1 4.07Å; F547-I554 HydrophobicContact CZ-CD1 4.19Å; T550-I554 WeakPolarHBondContact O-CG1 3.19Å; T550-I554 PolarHBondContact O-N 3.28Å; P551-I554 PolarHBondContact O-N 2.94Å; I554-I558 HydrophobicContact CG2-CB 3.7Å; I554-I558 HydrophobicContact CG2-CD1 4.19Å; I554-I558 HydrophobicContact CG2-CG1 4.45Å; I554-I558 HydrophobicContact CG2-CG2 3.82Å; I554-L559 HydrophobicContact CB-CD2 4.26Å; I554-L559 HydrophobicContact CG2-CD2 3.62Å; I554-L559 HydrophobicContact CG2-CG 3.85Å; I554-W571 PolarHBondContact O-NE1 3.37Å; I554-F596 HydrophobicContact CD1-CE1 4.18Å; I554-F596 HydrophobicContact CD1-CZ 4.42Å
555	A	95.3	Very high	85.3	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.18	C	C	.	.			trans	-71.2	147	178.6	0	0	0	0	0	112.6	Y553 E557 I558 L559 V568 W571	Y553-A555 PolarHBondContact O-N 3.37Å; A555-E557 VanDerWaalsContact C-N 3.27Å; A555-E557 HydrophobicContact CB-CG 4.28Å; A555-E557 WeakPolarHBondContact CB-OE2 3.3Å; A555-E557 PolarHBondContact O-N 3.15Å; A555-I558 HydrophobicContact CB-CD1 4.42Å; A555-I558 HydrophobicContact CB-CG1 4.38Å; A555-I558 WeakPolarHBondContact O-CB 2.88Å; A555-I558 PolarHBondContact O-N 2.95Å; A555-L559 PolarHBondContact O-N 2.88Å; A555-V568 HydrophobicContact CB-CB 3.98Å; A555-V568 HydrophobicContact CB-CG1 3.97Å; A555-W571 VanDerWaalsContact CA-CD1 3.46Å; A555-W571 HydrophobicContact CB-CB 3.76Å; A555-W571 HydrophobicContact CB-CD2 4.5Å; A555-W571 HydrophobicContact CB-CG 3.77Å
556	P	93.9	Very high	86	Confident	3 Å²	3	29 Å²	29	2%	0.019	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-34.3	-175.2	23.8	-34.3	0	0	0	112.9	I558 L559 L560 W571 I599 R624	P556-I558 VanDerWaalsContact C-N 3.28Å; P556-I558 PolarHBondContact O-N 3.49Å; P556-L559 PolarHBondContact O-N 2.79Å; P556-L559 VanDerWaalsContact O-N 3.15Å; P556-L560 WeakPolarHBondContact O-CB 3.28Å; P556-L560 VanDerWaalsContact O-CG 3.28Å; P556-L560 WeakPolarHBondContact O-CG 3.31Å; P556-L560 PolarHBondContact O-N 2.84Å; P556-W571 VanDerWaalsContact CD-CD2 3.48Å; P556-W571 HydrophobicContact CG-CD2 4.42Å; P556-W571 HydrophobicContact CG-CE3 4.09Å; P556-W571 HydrophobicContact CG-CH2 4.02Å; P556-W571 HydrophobicContact CG-CZ2 4.36Å; P556-W571 HydrophobicContact CG-CZ3 3.87Å; P556-I599 HydrophobicContact CB-CG2 4.45Å; P556-R624 HydrophobicContact CG-CB 4.34Å; P556-R624 HydrophobicContact CG-CG 4.26Å
557	E	93.8	Very high	87	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.009	15%	0.149	C	C	.	.	H	α-helix	trans	-60.1	-34.8	175.4	59.8	-92.9	-143.3	0	0	113	A555 L560 G561 Q562 S567 V568 P626 R629	A555-E557 VanDerWaalsContact C-N 3.27Å; A555-E557 HydrophobicContact CB-CG 4.28Å; A555-E557 WeakPolarHBondContact CB-OE2 3.3Å; A555-E557 PolarHBondContact O-N 3.15Å; E557-L560 PolarHBondContact O-N 3.14Å; E557-G561 PolarHBondContact O-N 3.37Å; E557-Q562 HydrophobicContact CB-CB 4.24Å; E557-Q562 VanDerWaalsContact CB-OE1 3.3Å; E557-Q562 WeakPolarHBondContact O-CB 3.37Å; E557-Q562 PolarHBondContact O-N 3.32Å; E557-S567 PolarHBondContact OE1-OG 3.36Å; E557-V568 HydrophobicContact CG-CG1 3.99Å; E557-V568 WeakPolarHBondContact OE1-CG1 3.4Å; E557-P626 HydrophobicContact CB-CG 3.88Å; E557-P626 HydrophobicContact CG-CG 3.98Å; E557-R629 IonicContact OE1-CZ 2.87Å; E557-R629 IonicContact OE1-NH1 2.7Å; E557-R629 PolarHBondContact OE1-NH1 3.25Å; E557-R629 IonicContact OE1-NH2 2.91Å; E557-R629 PolarHBondContact OE1-NH2 2.74Å; E557-R629 IonicContact OE2-CZ 2.69Å; E557-R629 IonicContact OE2-NH1 2.67Å; E557-R629 PolarHBondContact OE2-NH1 3.29Å; E557-R629 IonicContact OE2-NH2 3.96Å; E557-R629 PolarHBondContact OE2-NH2 3.09Å
558	I	85.6	Confident	87.9	Confident	8 Å²	8	25.2 Å²	25.2	4%	0.041	14%	0.142	C	C	.	.	H	α-helix	trans	-69.4	-43.3	175.1	-55.6	-179.6	0	0	0	109.9	F547 I554 A555 P556 L560 G561 Y564 V568	F547-I558 HydrophobicContact CD2-CG2 3.92Å; F547-I558 HydrophobicContact CE2-CG2 4.37Å; F547-I558 HydrophobicContact CG-CG2 4.2Å; I554-I558 HydrophobicContact CG2-CB 3.7Å; I554-I558 HydrophobicContact CG2-CD1 4.19Å; I554-I558 HydrophobicContact CG2-CG1 4.45Å; I554-I558 HydrophobicContact CG2-CG2 3.82Å; A555-I558 HydrophobicContact CB-CD1 4.42Å; A555-I558 HydrophobicContact CB-CG1 4.38Å; A555-I558 WeakPolarHBondContact O-CB 2.88Å; A555-I558 PolarHBondContact O-N 2.95Å; P556-I558 VanDerWaalsContact C-N 3.28Å; P556-I558 PolarHBondContact O-N 3.49Å; I558-L560 VanDerWaalsContact C-N 3.26Å; I558-L560 PolarHBondContact O-N 2.84Å; I558-G561 PolarHBondContact O-N 3.38Å; I558-Y564 HydrophobicContact CD1-CE1 4.28Å; I558-Y564 HydrophobicContact CG1-CD1 3.81Å; I558-Y564 HydrophobicContact CG1-CE1 3.85Å; I558-Y564 HydrophobicContact CG1-CG 4.28Å; I558-V568 HydrophobicContact CD1-CB 4.06Å; I558-V568 HydrophobicContact CD1-CG1 3.82Å; I558-V568 HydrophobicContact CG1-CG1 3.89Å
559	L	80.1	Confident	88.9	Confident	24 Å²	24	25.1 Å²	25.1	13%	0.126	14%	0.142	C	C	.	.	H	α-helix	trans	-65.5	-28.9	178.4	-60.6	-179.8	0	0	0	112.9	F547 I554 A555 P556 G561 F596 I599 R600	F547-L559 HydrophobicContact CE2-CD2 3.87Å; F547-L559 HydrophobicContact CZ-CD2 3.9Å; I554-L559 HydrophobicContact CB-CD2 4.26Å; I554-L559 HydrophobicContact CG2-CD2 3.62Å; I554-L559 HydrophobicContact CG2-CG 3.85Å; A555-L559 PolarHBondContact O-N 2.88Å; P556-L559 PolarHBondContact O-N 2.79Å; P556-L559 VanDerWaalsContact O-N 3.15Å; L559-G561 VanDerWaalsContact C-N 3.28Å; L559-F596 HydrophobicContact CD1-CB 3.93Å; L559-F596 HydrophobicContact CD1-CD1 4.02Å; L559-F596 HydrophobicContact CD1-CG 4.22Å; L559-F596 HydrophobicContact CD2-CB 4.15Å; L559-F596 HydrophobicContact CD2-CD1 3.51Å; L559-F596 HydrophobicContact CD2-CD2 4.16Å; L559-F596 HydrophobicContact CD2-CE1 3.87Å; L559-F596 HydrophobicContact CD2-CE2 4.48Å; L559-F596 HydrophobicContact CD2-CG 3.67Å; L559-F596 HydrophobicContact CD2-CZ 4.35Å; L559-F596 HydrophobicContact CG-CD1 4.43Å; L559-I599 HydrophobicContact CD1-CB 3.8Å; L559-I599 HydrophobicContact CD1-CD1 4.17Å; L559-I599 HydrophobicContact CD1-CG2 3.5Å; L559-I599 VanDerWaalsContact CD1-CG2 3.5Å; L559-R600 HydrophobicContact CB-CG 4.47Å; L559-R600 HydrophobicContact CD1-CG 4.43Å
560	L	76.8	Confident	89.9	Confident	102 Å²	102	25.2 Å²	25.2	53%	0.534	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-1	174.8	-66.8	170.3	0	0	0	113.1	P556 E557 I558 Q562	P556-L560 WeakPolarHBondContact O-CB 3.28Å; P556-L560 VanDerWaalsContact O-CG 3.28Å; P556-L560 WeakPolarHBondContact O-CG 3.31Å; P556-L560 PolarHBondContact O-N 2.84Å; E557-L560 PolarHBondContact O-N 3.14Å; I558-L560 VanDerWaalsContact C-N 3.26Å; I558-L560 PolarHBondContact O-N 2.84Å; L560-Q562 HydrophobicContact CB-CG 3.95Å; L560-Q562 PolarHBondContact O-N 3.43Å
561	G	77	Confident	90.7	Very high	65 Å²	65	25 Å²	25	67%	0.67	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.7	19	-178.5	0	0	0	0	0	114.1	E557 I558 L559	E557-G561 PolarHBondContact O-N 3.37Å; I558-G561 PolarHBondContact O-N 3.38Å; L559-G561 VanDerWaalsContact C-N 3.28Å
562	Q	81.8	Confident	91.3	Very high	88 Å²	88	25.3 Å²	25.3	41%	0.411	14%	0.142	S	C	.	.			trans	-74.3	163.8	178.6	-62.1	174.2	-15.2	0	0	110.9	E557 L560	E557-Q562 HydrophobicContact CB-CB 4.24Å; E557-Q562 VanDerWaalsContact CB-OE1 3.3Å; E557-Q562 WeakPolarHBondContact O-CB 3.37Å; E557-Q562 PolarHBondContact O-N 3.32Å; L560-Q562 HydrophobicContact CB-CG 3.95Å; L560-Q562 PolarHBondContact O-N 3.43Å
563	K	88.6	Confident	91.9	Very high	156 Å²	156	24.4 Å²	24.4	68%	0.678	14%	0.137	S	C	*	.			trans	-84.3	137.2	169.7	-58.9	-176.1	174.5	177.2	0	109.4	R543 T544	R543-K563 HydrophobicContact CB-CB 3.69Å; R543-K563 HydrophobicContact CB-CD 4.45Å; T544-K563 CarbonylContact O-C 3.53Å; T544-K563 VanDerWaalsContact O-CA 3.23Å; T544-K563 WeakPolarHBondContact O-CA 3.24Å
564	Y	90.9	Very high	92.1	Very high	3 Å²	3	24.3 Å²	24.3	1%	0.012	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-133.8	161.1	-170.4	63.3	-99.1	0	0	0	113.6	R511 R543 T544 T546 I558 V568	R511-Y564 PolarHBondContact NH1-OH 2.7Å; R543-Y564 CarbonylContact C-O 3.53Å; R543-Y564 VanDerWaalsContact CA-O 3.3Å; R543-Y564 WeakPolarHBondContact CA-O 3.46Å; R543-Y564 VanDerWaalsContact CD-C 3.47Å; T544-Y564 HydrophobicContact CG2-CD2 3.94Å; T544-Y564 HydrophobicContact CG2-CE1 4.12Å; T544-Y564 HydrophobicContact CG2-CE2 3.33Å; T544-Y564 VanDerWaalsContact CG2-CZ 3.44Å; T544-Y564 PolarHBondContact N-O 2.61Å; T544-Y564 WeakPolarHBondContact O-CD1 3.41Å; T544-Y564 PolarHBondContact O-N 2.72Å; T546-Y564 WeakPolarHBondContact O-CE1 3.42Å; T546-Y564 PolarHBondContact O-OH 3.32Å; I558-Y564 HydrophobicContact CD1-CE1 4.28Å; I558-Y564 HydrophobicContact CG1-CD1 3.81Å; I558-Y564 HydrophobicContact CG1-CE1 3.85Å; I558-Y564 HydrophobicContact CG1-CG 4.28Å; Y564-V568 HydrophobicContact CD2-CB 4.42Å; Y564-V568 HydrophobicContact CD2-CG1 3.5Å; Y564-V568 VanDerWaalsContact CD2-CG1 3.5Å; Y564-V568 HydrophobicContact CD2-CG2 4.01Å; Y564-V568 HydrophobicContact CE2-CG1 4.25Å; Y564-V568 HydrophobicContact CE2-CG2 4.18Å; Y564-V568 HydrophobicContact CG-CG1 3.68Å
565	N	95.4	Very high	92.4	Very high	14 Å²	14	24.1 Å²	24.1	8%	0.075	14%	0.136	C	C	.	.			trans	-120.9	-151.8	173.9	62.2	0.3	0	0	0	110.3	R543 S567	R543-N565 PolarHBondContact NH1-ND2 3.16Å; R543-N565 PolarHBondContact NH2-ND2 3.48Å; R543-N565 VanDerWaalsContact NH2-ND2 3.19Å; N565-S567 PolarHBondContact O-N 3.41Å; N565-S567 VanDerWaalsContact O-N 3.12Å; N565-S567 WeakPolarHBondContact OD1-CB 3.22Å; N565-S567 PolarHBondContact OD1-N 3.37Å; N565-S567 PolarHBondContact OD1-OG 3.46Å; N565-S567 VanDerWaalsContact OD1-OG 3.07Å
566	S	96.6	Very high	92.6	Very high	28 Å²	28	24.1 Å²	24.1	20%	0.196	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-12.4	175.2	44.8	0	0	0	0	114.8	V568 D569	S566-V568 PolarHBondContact O-N 3.27Å; S566-V568 VanDerWaalsContact O-N 3.08Å; S566-D569 PolarHBondContact O-N 2.85Å; S566-D569 VanDerWaalsContact O-N 3.1Å
567	S	97.3	Very high	92.8	Very high	1 Å²	1	24 Å²	24	1%	0.007	14%	0.135	C	C	.	.	H	α-helix	trans	-50	-33.5	174.3	65.7	0	0	0	0	113.9	E557 N565 W570 W571 R629	E557-S567 PolarHBondContact OE1-OG 3.36Å; N565-S567 PolarHBondContact O-N 3.41Å; N565-S567 VanDerWaalsContact O-N 3.12Å; N565-S567 WeakPolarHBondContact OD1-CB 3.22Å; N565-S567 PolarHBondContact OD1-N 3.37Å; N565-S567 PolarHBondContact OD1-OG 3.46Å; N565-S567 VanDerWaalsContact OD1-OG 3.07Å; S567-W570 PolarHBondContact O-N 3.03Å; S567-W571 PolarHBondContact O-N 2.9Å; S567-R629 PolarHBondContact O-NH1 2.8Å
568	V	97.9	Very high	93.1	Very high	2 Å²	2	24 Å²	24	1%	0.012	14%	0.135	C	C	.	.	H	α-helix	trans	-68.7	-35.3	-176.9	-54.6	0	0	0	0	112.1	I509 R511 A555 E557 I558 Y564 S566 W570 W571 S572	I509-V568 HydrophobicContact CG2-CG2 3.84Å; R511-V568 HydrophobicContact CG-CG2 4.18Å; A555-V568 HydrophobicContact CB-CB 3.98Å; A555-V568 HydrophobicContact CB-CG1 3.97Å; E557-V568 HydrophobicContact CG-CG1 3.99Å; E557-V568 WeakPolarHBondContact OE1-CG1 3.4Å; I558-V568 HydrophobicContact CD1-CB 4.06Å; I558-V568 HydrophobicContact CD1-CG1 3.82Å; I558-V568 HydrophobicContact CG1-CG1 3.89Å; Y564-V568 HydrophobicContact CD2-CB 4.42Å; Y564-V568 HydrophobicContact CD2-CG1 3.5Å; Y564-V568 VanDerWaalsContact CD2-CG1 3.5Å; Y564-V568 HydrophobicContact CD2-CG2 4.01Å; Y564-V568 HydrophobicContact CE2-CG1 4.25Å; Y564-V568 HydrophobicContact CE2-CG2 4.18Å; Y564-V568 HydrophobicContact CG-CG1 3.68Å; S566-V568 PolarHBondContact O-N 3.27Å; S566-V568 VanDerWaalsContact O-N 3.08Å; V568-W570 VanDerWaalsContact C-N 3.3Å; V568-W570 PolarHBondContact O-N 3.49Å; V568-W571 PolarHBondContact O-N 3.4Å; V568-S572 PolarHBondContact O-N 3.37Å; V568-S572 PolarHBondContact O-OG 2.86Å
569	D	98.5	Very high	93.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.6	-34.5	176.8	-68.1	-19.4	0	0	0	110.7	L500 H504 I509 Y510 R511 S566 S572 F573	L500-D569 HydrophobicContact CD2-CB 4.24Å; H504-D569 IonicContact CD2-OD2 3.74Å; H504-D569 IonicContact CE1-OD2 3.62Å; H504-D569 IonicContact NE2-OD2 2.73Å; H504-D569 PolarHBondContact NE2-OD2 3.34Å; I509-D569 VanDerWaalsContact CG2-OD2 3.24Å; I509-D569 WeakPolarHBondContact CG2-OD2 3.22Å; Y510-D569 PolarHBondContact N-OD1 3.05Å; Y510-D569 PolarHBondContact N-OD2 2.9Å; R511-D569 WeakPolarHBondContact CA-OD1 3.41Å; R511-D569 PolarHBondContact N-OD1 3.42Å; S566-D569 PolarHBondContact O-N 2.85Å; S566-D569 VanDerWaalsContact O-N 3.1Å; D569-S572 PolarHBondContact O-N 3.14Å; D569-F573 VanDerWaalsContact O-CB 3.23Å; D569-F573 WeakPolarHBondContact O-CB 3.39Å; D569-F573 PolarHBondContact O-N 2.91Å
570	W	98.7	Very high	94.5	Very high	5 Å²	5	22.5 Å²	22.5	2%	0.019	13%	0.127	C	C	.	.	H	α-helix	trans	-69.5	-32.7	175.1	-64.2	125.5	0	0	0	113	V497 L500 Q501 H504 S567 V568 F573 G574 L621 G631 I636	V497-W570 HydrophobicContact CG1-CH2 4.47Å; V497-W570 HydrophobicContact CG2-CZ3 4.13Å; L500-W570 HydrophobicContact CB-CH2 4.32Å; L500-W570 HydrophobicContact CD1-CE3 4.39Å; L500-W570 HydrophobicContact CD1-CH2 4.46Å; L500-W570 HydrophobicContact CD1-CZ3 3.99Å; Q501-W570 HydrophobicContact CG-CH2 3.87Å; Q501-W570 HydrophobicContact CG-CZ2 3.99Å; H504-W570 AromaticContact CE1-CE2 3.91Å; H504-W570 AromaticContact CE1-CZ2 3.99Å; H504-W570 AromaticContact CE1-NE1 3.89Å; H504-W570 AromaticContact ND1-CZ2 3.85Å; H504-W570 AromaticContact ND1-NE1 3.97Å; S567-W570 PolarHBondContact O-N 3.03Å; V568-W570 VanDerWaalsContact C-N 3.3Å; V568-W570 PolarHBondContact O-N 3.49Å; W570-F573 HydrophobicContact CE3-CB 4.34Å; W570-F573 HydrophobicContact CE3-CD1 4.23Å; W570-F573 HydrophobicContact CE3-CG 4.33Å; W570-G574 PolarHBondContact O-N 3.49Å; W570-L621 HydrophobicContact CB-CD2 4.36Å; W570-G631 PolarHBondContact NE1-O 3.08Å; W570-G631 VanDerWaalsContact NE1-O 3.15Å; W570-I636 HydrophobicContact CE3-CD1 3.76Å; W570-I636 HydrophobicContact CH2-CD1 4.47Å; W570-I636 HydrophobicContact CH2-CG2 3.95Å; W570-I636 HydrophobicContact CZ3-CD1 3.65Å; W570-I636 HydrophobicContact CZ3-CG2 4.18Å
571	W	98.8	Very high	95.5	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.9	-51.1	169.9	179.6	-84.7	0	0	0	111.6	I554 A555 P556 S567 V568 F573 G574 V575 F587 I599 F622 R624	I554-W571 PolarHBondContact O-NE1 3.37Å; A555-W571 VanDerWaalsContact CA-CD1 3.46Å; A555-W571 HydrophobicContact CB-CB 3.76Å; A555-W571 HydrophobicContact CB-CD2 4.5Å; A555-W571 HydrophobicContact CB-CG 3.77Å; P556-W571 VanDerWaalsContact CD-CD2 3.48Å; P556-W571 HydrophobicContact CG-CD2 4.42Å; P556-W571 HydrophobicContact CG-CE3 4.09Å; P556-W571 HydrophobicContact CG-CH2 4.02Å; P556-W571 HydrophobicContact CG-CZ2 4.36Å; P556-W571 HydrophobicContact CG-CZ3 3.87Å; S567-W571 PolarHBondContact O-N 2.9Å; V568-W571 PolarHBondContact O-N 3.4Å; W571-F573 PolarHBondContact O-N 3.48Å; W571-G574 WeakPolarHBondContact O-CA 3.3Å; W571-G574 PolarHBondContact O-N 2.81Å; W571-V575 PolarHBondContact O-N 3.31Å; W571-F587 HydrophobicContact CH2-CE2 4.18Å; W571-F587 AromaticContact CH2-CZ 3.8Å; W571-F587 HydrophobicContact CH2-CZ 3.8Å; W571-F587 HydrophobicContact CZ2-CD2 4.46Å; W571-F587 AromaticContact CZ2-CE2 3.42Å; W571-F587 HydrophobicContact CZ2-CE2 3.42Å; W571-F587 VanDerWaalsContact CZ2-CE2 3.42Å; W571-F587 AromaticContact CZ2-CZ 3.5Å; W571-F587 HydrophobicContact CZ2-CZ 3.5Å; W571-I599 HydrophobicContact CZ2-CG2 3.92Å; W571-F622 HydrophobicContact CD2-CD1 4.4Å; W571-F622 HydrophobicContact CE3-CD1 4.3Å; W571-F622 HydrophobicContact CH2-CD1 4.13Å; W571-F622 HydrophobicContact CZ2-CD1 4.2Å; W571-F622 HydrophobicContact CZ3-CB 4.27Å; W571-F622 HydrophobicContact CZ3-CD1 4.19Å; W571-R624 HydrophobicContact CH2-CG 4.44Å; W571-R624 HydrophobicContact CZ3-CG 4.35Å
572	S	98.6	Very high	96.4	Very high	6 Å²	6	15.8 Å²	15.8	4%	0.042	8%	0.076	C	C	.	.	H	α-helix	trans	-61.3	-33.1	177.5	-52.2	0	0	0	0	112.1	Y553 V568 D569 V575 L576	Y553-S572 PolarHBondContact O-OG 2.7Å; V568-S572 PolarHBondContact O-N 3.37Å; V568-S572 PolarHBondContact O-OG 2.86Å; D569-S572 PolarHBondContact O-N 3.14Å; S572-V575 PolarHBondContact O-N 3.05Å; S572-L576 WeakPolarHBondContact O-CB 3.46Å; S572-L576 PolarHBondContact O-N 3.12Å
573	F	98.9	Very high	96.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64	-41	171.3	175.7	-97.7	0	0	0	112.3	A493 I496 V497 L500 L513 D569 W570 W571 L576 L577 L621 I636 F642	A493-F573 HydrophobicContact CB-CE2 4.21Å; A493-F573 HydrophobicContact CB-CZ 3.96Å; A493-F573 WeakPolarHBondContact O-CE2 3.23Å; I496-F573 HydrophobicContact CB-CD2 4.48Å; I496-F573 HydrophobicContact CB-CE2 4.21Å; I496-F573 HydrophobicContact CG2-CD2 3.76Å; I496-F573 HydrophobicContact CG2-CE2 3.99Å; V497-F573 HydrophobicContact CG2-CE1 4.23Å; V497-F573 HydrophobicContact CG2-CE2 3.81Å; V497-F573 HydrophobicContact CG2-CZ 3.57Å; L500-F573 HydrophobicContact CD1-CB 4.26Å; L500-F573 HydrophobicContact CD1-CD2 4.24Å; L500-F573 HydrophobicContact CD1-CG 4.5Å; L513-F573 HydrophobicContact CD2-CB 3.85Å; L513-F573 HydrophobicContact CD2-CD2 4.37Å; D569-F573 VanDerWaalsContact O-CB 3.23Å; D569-F573 WeakPolarHBondContact O-CB 3.39Å; D569-F573 PolarHBondContact O-N 2.91Å; W570-F573 HydrophobicContact CE3-CB 4.34Å; W570-F573 HydrophobicContact CE3-CD1 4.23Å; W570-F573 HydrophobicContact CE3-CG 4.33Å; W571-F573 PolarHBondContact O-N 3.48Å; F573-L576 PolarHBondContact O-N 2.86Å; F573-L577 HydrophobicContact CE1-CD2 4.17Å; F573-L577 HydrophobicContact CZ-CD2 4.44Å; F573-L577 VanDerWaalsContact O-CB 3.29Å; F573-L577 WeakPolarHBondContact O-CB 3.28Å; F573-L577 PolarHBondContact O-N 3.46Å; F573-L621 HydrophobicContact CD1-CD1 3.69Å; F573-L621 HydrophobicContact CD1-CD2 4.17Å; F573-L621 HydrophobicContact CE1-CD1 3.83Å; F573-I636 HydrophobicContact CD1-CD1 3.99Å; F573-I636 HydrophobicContact CE1-CD1 3.63Å; F573-I636 HydrophobicContact CZ-CD1 4.41Å; F573-F642 HydrophobicContact CZ-CZ 4.31Å
574	G	98.8	Very high	96.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-59.6	-44.1	171.7	0	0	0	0	0	112.9	W570 W571 L577 Y578 L618 F622	W570-G574 PolarHBondContact O-N 3.49Å; W571-G574 WeakPolarHBondContact O-CA 3.3Å; W571-G574 PolarHBondContact O-N 2.81Å; G574-L577 PolarHBondContact O-N 3.39Å; G574-Y578 WeakPolarHBondContact O-CB 3.07Å; G574-Y578 PolarHBondContact O-N 3.02Å; G574-L618 WeakPolarHBondContact O-CD2 3.31Å; G574-F622 VanDerWaalsContact O-CZ 3.26Å; G574-F622 WeakPolarHBondContact O-CZ 2.99Å
575	V	98.5	Very high	96.9	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-60.2	-50.6	174.3	178.1	0	0	0	0	110.7	Y553 W571 S572 L577 Y578 E579 P586 F622	Y553-V575 HydrophobicContact CD1-CB 3.61Å; Y553-V575 HydrophobicContact CD1-CG1 3.41Å; Y553-V575 VanDerWaalsContact CD1-CG1 3.41Å; Y553-V575 HydrophobicContact CE1-CB 3.96Å; Y553-V575 HydrophobicContact CE1-CG1 3.5Å; Y553-V575 VanDerWaalsContact CE1-CG1 3.5Å; Y553-V575 HydrophobicContact CG-CB 4.46Å; Y553-V575 HydrophobicContact CG-CG1 4.04Å; W571-V575 PolarHBondContact O-N 3.31Å; S572-V575 PolarHBondContact O-N 3.05Å; V575-L577 PolarHBondContact O-N 3.41Å; V575-Y578 PolarHBondContact O-N 3.39Å; V575-E579 WeakPolarHBondContact O-CG 3.49Å; V575-E579 PolarHBondContact O-N 3.11Å; V575-P586 HydrophobicContact CB-CG 4.3Å; V575-P586 HydrophobicContact CG1-CG 4Å; V575-P586 HydrophobicContact CG2-CG 4.06Å; V575-F622 HydrophobicContact CG2-CE1 3.8Å; V575-F622 HydrophobicContact CG2-CZ 4.42Å
576	L	98.4	Very high	96.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-59.8	-44.4	179.7	-167.3	155.9	0	0	0	111.9	I496 L513 L515 V518 Y553 S572 F573 E579 M580	I496-L576 HydrophobicContact CD1-CD1 4.4Å; I496-L576 HydrophobicContact CD1-CD2 3.77Å; L513-L576 HydrophobicContact CD1-CD1 3.88Å; L513-L576 HydrophobicContact CD2-CD1 4.4Å; L513-L576 HydrophobicContact CG-CD1 3.77Å; L515-L576 HydrophobicContact CD2-CD1 4.46Å; L515-L576 HydrophobicContact CD2-CD2 4Å; L515-L576 HydrophobicContact CD2-CG 3.82Å; L515-L576 HydrophobicContact CG-CG 4.36Å; V518-L576 HydrophobicContact CG2-CD1 3.98Å; Y553-L576 HydrophobicContact CE1-CB 4.03Å; S572-L576 WeakPolarHBondContact O-CB 3.46Å; S572-L576 PolarHBondContact O-N 3.12Å; F573-L576 PolarHBondContact O-N 2.86Å; L576-E579 PolarHBondContact O-N 3.49Å; L576-M580 HydrophobicContact CD2-CE 3.72Å; L576-M580 HydrophobicContact CD2-CG 4Å; L576-M580 HydrophobicContact CD2-SD 3.82Å; L576-M580 WeakPolarHBondContact O-CG 3.44Å; L576-M580 PolarHBondContact O-N 2.93Å
577	L	98.8	Very high	96.6	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-65.9	-40.6	178.3	-179.9	57	0	0	0	112.4	A493 F573 G574 V575 E579 M580 L581 I617 L618 L621 F641	A493-L577 HydrophobicContact CB-CD1 3.94Å; F573-L577 HydrophobicContact CE1-CD2 4.17Å; F573-L577 HydrophobicContact CZ-CD2 4.44Å; F573-L577 VanDerWaalsContact O-CB 3.29Å; F573-L577 WeakPolarHBondContact O-CB 3.28Å; F573-L577 PolarHBondContact O-N 3.46Å; G574-L577 PolarHBondContact O-N 3.39Å; V575-L577 PolarHBondContact O-N 3.41Å; L577-E579 VanDerWaalsContact C-N 3.31Å; L577-E579 PolarHBondContact O-N 3.45Å; L577-M580 HydrophobicContact CD1-CE 3.95Å; L577-M580 PolarHBondContact O-N 3.29Å; L577-L581 HydrophobicContact CD1-CD1 3.74Å; L577-L581 HydrophobicContact CD1-CG 4.1Å; L577-L581 HydrophobicContact CG-CD1 3.86Å; L577-L581 WeakPolarHBondContact O-CB 3.46Å; L577-L581 WeakPolarHBondContact O-CD1 3.22Å; L577-L581 VanDerWaalsContact O-CG 3.3Å; L577-L581 WeakPolarHBondContact O-CG 3.43Å; L577-L581 PolarHBondContact O-N 2.8Å; L577-L581 VanDerWaalsContact O-N 3.09Å; L577-I617 HydrophobicContact CD2-CD1 4.24Å; L577-I617 HydrophobicContact CD2-CG2 3.89Å; L577-L618 HydrophobicContact CB-CD2 4.01Å; L577-L618 HydrophobicContact CD2-CD2 4.07Å; L577-L618 HydrophobicContact CG-CD2 3.88Å; L577-L621 HydrophobicContact CD2-CD1 4.35Å; L577-F641 HydrophobicContact CD1-CE1 4.11Å; L577-F641 HydrophobicContact CD1-CZ 3.85Å; L577-F641 HydrophobicContact CD2-CE1 4.21Å; L577-F641 HydrophobicContact CD2-CZ 4.41Å
578	Y	98.6	Very high	96	Very high	2 Å²	2	9 Å²	9	1%	0.008	5%	0.049	C	C	.	.	H	α-helix	trans	-58.9	-45.8	174.6	179.9	-77.1	0	0	0	110.3	G574 V575 L581 I582 Q584 S585 P586 P604 I605 Y606 L618 F622	G574-Y578 WeakPolarHBondContact O-CB 3.07Å; G574-Y578 PolarHBondContact O-N 3.02Å; V575-Y578 PolarHBondContact O-N 3.39Å; Y578-L581 PolarHBondContact O-N 2.91Å; Y578-I582 HydrophobicContact CD1-CB 4.38Å; Y578-I582 HydrophobicContact CD1-CD1 4.04Å; Y578-I582 HydrophobicContact CD2-CD1 3.55Å; Y578-I582 HydrophobicContact CE1-CB 4.22Å; Y578-I582 HydrophobicContact CE1-CD1 3.91Å; Y578-I582 HydrophobicContact CE1-CG2 4.31Å; Y578-I582 HydrophobicContact CE2-CD1 3.4Å; Y578-I582 HydrophobicContact CG-CD1 3.87Å; Y578-I582 VanDerWaalsContact O-CB 3.31Å; Y578-I582 WeakPolarHBondContact O-CB 3Å; Y578-I582 PolarHBondContact O-N 3.3Å; Y578-Q584 WeakPolarHBondContact CD1-O 3.02Å; Y578-Q584 HydrophobicContact CE1-CG 4.13Å; Y578-Q584 WeakPolarHBondContact CE1-O 3.47Å; Y578-S585 WeakPolarHBondContact CE1-O 3.47Å; Y578-P586 HydrophobicContact CD1-CB 3.79Å; Y578-P586 HydrophobicContact CD1-CG 4.14Å; Y578-P586 HydrophobicContact CD2-CB 3.91Å; Y578-P586 VanDerWaalsContact CE1-CA 3.43Å; Y578-P586 HydrophobicContact CE1-CB 3.84Å; Y578-P586 HydrophobicContact CE2-CB 3.96Å; Y578-P586 HydrophobicContact CG-CB 3.83Å; Y578-P586 HydrophobicContact CG-CG 4.24Å; Y578-P604 HydrophobicContact CD2-CB 4.48Å; Y578-P604 HydrophobicContact CE2-CB 3.94Å; Y578-I605 PolarHBondContact OH-O 3.25Å; Y578-Y606 HydrophobicContact CD2-CE1 4.42Å; Y578-Y606 HydrophobicContact CE2-CD1 4.46Å; Y578-Y606 HydrophobicContact CE2-CE1 4.42Å; Y578-L618 HydrophobicContact CD2-CD1 4.07Å; Y578-F622 AromaticContact CD2-CE2 3.95Å; Y578-F622 HydrophobicContact CD2-CE2 3.95Å; Y578-F622 HydrophobicContact CD2-CZ 4.43Å; Y578-F622 HydrophobicContact CG-CE2 4.39Å; Y578-F622 HydrophobicContact CG-CZ 4.45Å
579	E	96.9	Very high	94.8	Very high	1 Å²	1	10 Å²	10	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-65.3	-45.3	179.4	-69.6	177.9	140.2	0	0	112.4	L148 R151 I478 L515 Y553 V575 L576 L577 L581 I582 G583 Q584	L148-E579 HydrophobicContact CD2-CG 4.26Å; R151-E579 IonicContact CZ-OE1 3.56Å; R151-E579 IonicContact CZ-OE2 2.78Å; R151-E579 IonicContact NH2-OE1 2.76Å; R151-E579 PolarHBondContact NH2-OE1 3.36Å; R151-E579 IonicContact NH2-OE2 3.61Å; R151-E579 PolarHBondContact NH2-OE2 2.87Å; I478-E579 VanDerWaalsContact CD1-O 3.27Å; I478-E579 WeakPolarHBondContact CD1-O 3.37Å; L515-E579 HydrophobicContact CD1-CB 4.24Å; Y553-E579 VanDerWaalsContact CZ-OE2 3.23Å; Y553-E579 PolarHBondContact OH-OE2 2.78Å; V575-E579 WeakPolarHBondContact O-CG 3.49Å; V575-E579 PolarHBondContact O-N 3.11Å; L576-E579 PolarHBondContact O-N 3.49Å; L577-E579 VanDerWaalsContact C-N 3.31Å; L577-E579 PolarHBondContact O-N 3.45Å; E579-L581 VanDerWaalsContact C-N 3.25Å; E579-L581 PolarHBondContact O-N 2.79Å; E579-I582 PolarHBondContact O-N 3.04Å; E579-G583 WeakPolarHBondContact O-CA 3.44Å; E579-G583 PolarHBondContact O-N 2.82Å; E579-Q584 WeakPolarHBondContact CG-O 3.18Å
580	M	98.1	Very high	93.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-56.1	-40.8	174.5	-72.9	-163.3	-57	0	0	112.3	L474 F484 A489 Y492 A493 L515 L576 L577	L474-M580 HydrophobicContact CD1-SD 3.98Å; F484-M580 HydrophobicContact CD2-CB 3.86Å; F484-M580 HydrophobicContact CD2-CG 3.69Å; F484-M580 HydrophobicContact CD2-SD 3.86Å; F484-M580 HydrophobicContact CE2-CB 4.49Å; F484-M580 HydrophobicContact CE2-CG 3.86Å; F484-M580 HydrophobicContact CE2-SD 4Å; F484-M580 PolarHBondContact N-O 3.42Å; A489-M580 HydrophobicContact CB-CB 4.12Å; A489-M580 WeakPolarHBondContact O-CE 3.4Å; Y492-M580 HydrophobicContact CD2-SD 4.17Å; A493-M580 HydrophobicContact CB-CE 4.06Å; L515-M580 HydrophobicContact CD2-CG 3.97Å; L576-M580 HydrophobicContact CD2-CE 3.72Å; L576-M580 HydrophobicContact CD2-CG 4Å; L576-M580 HydrophobicContact CD2-SD 3.82Å; L576-M580 WeakPolarHBondContact O-CG 3.44Å; L576-M580 PolarHBondContact O-N 2.93Å; L577-M580 HydrophobicContact CD1-CE 3.95Å; L577-M580 PolarHBondContact O-N 3.29Å
581	L	98	Very high	92.2	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.031	11%	0.109	C	C	.	.	H	α-helix	trans	-80.1	-32.3	-177	-70.5	167.2	0	0	0	113.6	K483 L486 A489 L577 Y578 E579 W609 L610 A614 L618 F641	K483-L581 WeakPolarHBondContact CD-O 3.45Å; L486-L581 HydrophobicContact CD1-CD2 3.83Å; A489-L581 HydrophobicContact CB-CD2 3.62Å; A489-L581 HydrophobicContact CB-CG 4.11Å; L577-L581 HydrophobicContact CD1-CD1 3.74Å; L577-L581 HydrophobicContact CD1-CG 4.1Å; L577-L581 HydrophobicContact CG-CD1 3.86Å; L577-L581 WeakPolarHBondContact O-CB 3.46Å; L577-L581 WeakPolarHBondContact O-CD1 3.22Å; L577-L581 VanDerWaalsContact O-CG 3.3Å; L577-L581 WeakPolarHBondContact O-CG 3.43Å; L577-L581 PolarHBondContact O-N 2.8Å; L577-L581 VanDerWaalsContact O-N 3.09Å; Y578-L581 PolarHBondContact O-N 2.91Å; E579-L581 VanDerWaalsContact C-N 3.25Å; E579-L581 PolarHBondContact O-N 2.79Å; L581-W609 VanDerWaalsContact O-CH2 3.23Å; L581-W609 WeakPolarHBondContact O-CH2 3.28Å; L581-L610 HydrophobicContact CB-CD1 4.22Å; L581-L610 HydrophobicContact CD1-CD1 4.38Å; L581-A614 HydrophobicContact CD1-CB 4.16Å; L581-L618 HydrophobicContact CD1-CD1 4.16Å; L581-F641 HydrophobicContact CD1-CE2 4.34Å; L581-F641 HydrophobicContact CD1-CZ 4.46Å
582	I	96.2	Very high	91.1	Very high	19 Å²	19	25.5 Å²	25.5	10%	0.097	13%	0.127	C	C	.	.	H	α-helix	trans	-116.8	-26.2	-166.3	-57.8	167.9	0	0	0	113.4	Y578 E579 Q584 P607 W609 L610	Y578-I582 HydrophobicContact CD1-CB 4.38Å; Y578-I582 HydrophobicContact CD1-CD1 4.04Å; Y578-I582 HydrophobicContact CD2-CD1 3.55Å; Y578-I582 HydrophobicContact CE1-CB 4.22Å; Y578-I582 HydrophobicContact CE1-CD1 3.91Å; Y578-I582 HydrophobicContact CE1-CG2 4.31Å; Y578-I582 HydrophobicContact CE2-CD1 3.4Å; Y578-I582 HydrophobicContact CG-CD1 3.87Å; Y578-I582 VanDerWaalsContact O-CB 3.31Å; Y578-I582 WeakPolarHBondContact O-CB 3Å; Y578-I582 PolarHBondContact O-N 3.3Å; E579-I582 PolarHBondContact O-N 3.04Å; I582-Q584 HydrophobicContact CG2-CG 3.98Å; I582-P607 HydrophobicContact CD1-CG 4.42Å; I582-P607 HydrophobicContact CG1-CG 4.41Å; I582-P607 HydrophobicContact CG2-CG 3.98Å; I582-W609 HydrophobicContact CB-CH2 4.44Å; I582-W609 HydrophobicContact CG1-CH2 4.05Å; I582-L610 HydrophobicContact CD1-CD2 4.36Å
583	G	90.7	Very high	89.9	Confident	15 Å²	15	32.7 Å²	32.7	16%	0.155	16%	0.16	C	C	.	.	S	Bend	trans	84.8	11.6	177.4	0	0	0	0	0	115.6	H482 E579	H482-G583 WeakPolarHBondContact O-CA 3.3Å; E579-G583 WeakPolarHBondContact O-CA 3.44Å; E579-G583 PolarHBondContact O-N 2.82Å
584	Q	89.1	Confident	88.9	Confident	45 Å²	45	36.5 Å²	36.5	21%	0.21	18%	0.178	C	C	.	.	S	Bend	trans	-146.5	159.8	177.4	72.3	-168.4	1.2	0	0	110	Y578 E579 I582	Y578-Q584 WeakPolarHBondContact CD1-O 3.02Å; Y578-Q584 HydrophobicContact CE1-CG 4.13Å; Y578-Q584 WeakPolarHBondContact CE1-O 3.47Å; E579-Q584 WeakPolarHBondContact CG-O 3.18Å; I582-Q584 HydrophobicContact CG2-CG 3.98Å
585	S	91.6	Very high	88	Confident	10 Å²	10	36.6 Å²	36.6	7%	0.07	18%	0.179	C	C	.	.			trans	-64.5	149.1	173.9	178.2	0	0	0	0	111.8	Y578 F587 H588	Y578-S585 WeakPolarHBondContact CE1-O 3.47Å; S585-F587 VanDerWaalsContact C-N 3.33Å; S585-F587 PolarHBondContact OG-N 2.65Å; S585-F587 PolarHBondContact OG-O 3.19Å; S585-H588 PolarHBondContact O-CE1 2.84Å; S585-H588 PolarHBondContact O-NE2 3.1Å
586	P	94.2	Very high	87.3	Confident	8 Å²	8	37.8 Å²	37.8	5%	0.052	18%	0.184	C	C	.	.	S	Bend	trans	-73.1	-18.4	172.6	27.1	-33.6	0	0	0	114.9	V575 Y578 P604 F622	V575-P586 HydrophobicContact CB-CG 4.3Å; V575-P586 HydrophobicContact CG1-CG 4Å; V575-P586 HydrophobicContact CG2-CG 4.06Å; Y578-P586 HydrophobicContact CD1-CB 3.79Å; Y578-P586 HydrophobicContact CD1-CG 4.14Å; Y578-P586 HydrophobicContact CD2-CB 3.91Å; Y578-P586 VanDerWaalsContact CE1-CA 3.43Å; Y578-P586 HydrophobicContact CE1-CB 3.84Å; Y578-P586 HydrophobicContact CE2-CB 3.96Å; Y578-P586 HydrophobicContact CG-CB 3.83Å; Y578-P586 HydrophobicContact CG-CG 4.24Å; P586-P604 HydrophobicContact CB-CB 4.04Å; P586-P604 HydrophobicContact CB-CG 4.19Å; P586-F622 HydrophobicContact CB-CE2 4.37Å; P586-F622 HydrophobicContact CB-CZ 3.96Å; P586-F622 HydrophobicContact CG-CE1 4.21Å; P586-F622 HydrophobicContact CG-CZ 3.85Å
587	F	92.8	Very high	86.4	Confident	1 Å²	1	41.9 Å²	41.9	0%	0.004	20%	0.203	C	C	.	.	S	Bend	trans	-132.4	150.9	-177.3	-53.2	-73.2	0	0	0	110.5	W571 S585 L595 I599 P604 F622	W571-F587 HydrophobicContact CH2-CE2 4.18Å; W571-F587 AromaticContact CH2-CZ 3.8Å; W571-F587 HydrophobicContact CH2-CZ 3.8Å; W571-F587 HydrophobicContact CZ2-CD2 4.46Å; W571-F587 AromaticContact CZ2-CE2 3.42Å; W571-F587 HydrophobicContact CZ2-CE2 3.42Å; W571-F587 VanDerWaalsContact CZ2-CE2 3.42Å; W571-F587 AromaticContact CZ2-CZ 3.5Å; W571-F587 HydrophobicContact CZ2-CZ 3.5Å; S585-F587 VanDerWaalsContact C-N 3.33Å; S585-F587 PolarHBondContact OG-N 2.65Å; S585-F587 PolarHBondContact OG-O 3.19Å; F587-L595 HydrophobicContact CB-CD1 4.13Å; F587-I599 HydrophobicContact CB-CG1 3.77Å; F587-I599 HydrophobicContact CD1-CG1 4.4Å; F587-I599 HydrophobicContact CD2-CG1 3.72Å; F587-I599 HydrophobicContact CE2-CG1 4.46Å; F587-I599 HydrophobicContact CG-CB 4.44Å; F587-I599 HydrophobicContact CG-CG1 3.7Å; F587-P604 HydrophobicContact CE1-CG 3.81Å; F587-P604 HydrophobicContact CZ-CG 3.72Å; F587-F622 HydrophobicContact CE2-CD1 4.24Å; F587-F622 HydrophobicContact CE2-CE1 4.12Å; F587-F622 HydrophobicContact CZ-CD1 4.24Å
588	H	83.4	Confident	85.9	Confident	68 Å²	68	42.2 Å²	42.2	32%	0.315	21%	0.205	S	C	.	.			trans	-141.4	152.4	-172.2	-55.2	-55.3	0	0	0	112.5	S585 S598	S585-H588 PolarHBondContact O-CE1 2.84Å; S585-H588 PolarHBondContact O-NE2 3.1Å; H588-S598 PolarHBondContact N-OG 3.23Å; H588-S598 WeakPolarHBondContact O-CB 3.47Å
589	G	74	Confident	85.6	Confident	23 Å²	23	42.1 Å²	42.1	24%	0.237	21%	0.205	C	C	.	.			trans	-176.2	144	172.3	0	0	0	0	0	112	R152 D591	R152-G589 PolarHBondContact NH2-O 2.8Å; G589-D591 VanDerWaalsContact C-N 3.3Å; G589-D591 PolarHBondContact O-N 3.47Å
590	R	70.8	Confident	85.1	Confident	174 Å²	174	45.4 Å²	45.4	66%	0.657	22%	0.217	S	C	*	.	S	Bend	trans	-66.5	-35.3	-178.2	-56.9	171.2	-152.1	-163.6	6.2	111.5	R152 E594	R152-R590 PolarHBondContact NH2-O 3.22Å; R152-R590 VanDerWaalsContact NH2-O 3.07Å; R590-E594 VanDerWaalsContact CB-OE2 3.23Å; R590-E594 WeakPolarHBondContact CB-OE2 2.95Å; R590-E594 WeakPolarHBondContact CG-OE2 3.44Å; R590-E594 PolarHBondContact N-OE2 2.86Å; R590-E594 IonicContact NE-OE1 2.67Å; R590-E594 IonicContact NE-OE2 3.47Å
591	D	71.9	Confident	84.7	Confident	76 Å²	76	48.8 Å²	48.8	41%	0.406	24%	0.238	S	C	.	.	S	Bend	trans	-122.6	-174.6	173.7	62.5	43.4	0	0	0	111.7	R152 G589 E593 E594 L595	R152-D591 PolarHBondContact NH1-O 3.49Å; R152-D591 PolarHBondContact NH2-O 3.13Å; R152-D591 VanDerWaalsContact NH2-O 3.13Å; G589-D591 VanDerWaalsContact C-N 3.3Å; G589-D591 PolarHBondContact O-N 3.47Å; D591-E593 WeakPolarHBondContact OD1-CA 3.25Å; D591-E593 WeakPolarHBondContact OD1-CB 3.24Å; D591-E593 PolarHBondContact OD1-N 3.41Å; D591-E594 PolarHBondContact OD1-N 3.07Å; D591-L595 WeakPolarHBondContact O-CB 3.44Å; D591-L595 PolarHBondContact O-N 3.47Å
592	E	74.1	Confident	84.4	Confident	81 Å²	81	52 Å²	52	38%	0.379	26%	0.255	S	S	.	.	H	α-helix	trans	-72.1	-31.9	179.1	-73	-179.8	-174.2	0	0	112.5	R152 I155 F596	R152-E592 VanDerWaalsContact NH1-CA 3.33Å; I155-E592 WeakPolarHBondContact CD1-OE1 3.16Å; E592-F596 HydrophobicContact CB-CD2 4.26Å; E592-F596 HydrophobicContact CB-CE2 3.85Å; E592-F596 HydrophobicContact CB-CZ 4.23Å; E592-F596 HydrophobicContact CG-CZ 4.47Å; E592-F596 VanDerWaalsContact O-CB 3.22Å; E592-F596 WeakPolarHBondContact O-CB 3.47Å; E592-F596 WeakPolarHBondContact O-CD2 3.45Å; E592-F596 WeakPolarHBondContact O-CG 3.41Å; E592-F596 PolarHBondContact O-N 2.74Å
593	E	73.3	Confident	84.3	Confident	157 Å²	157	55.8 Å²	55.8	73%	0.734	28%	0.284	S	S	*	.	H	α-helix	trans	-72.4	-43	-177.9	-168.7	167.1	-171.9	0	0	110.8	D591 Q597	D591-E593 WeakPolarHBondContact OD1-CA 3.25Å; D591-E593 WeakPolarHBondContact OD1-CB 3.24Å; D591-E593 PolarHBondContact OD1-N 3.41Å; E593-Q597 VanDerWaalsContact O-CB 3.28Å; E593-Q597 WeakPolarHBondContact O-CB 3.01Å; E593-Q597 PolarHBondContact O-N 3.31Å
594	E	78.1	Confident	84.5	Confident	80 Å²	80	55.8 Å²	55.8	37%	0.374	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-47.5	170.6	-71.9	-172.3	176.9	0	0	111.9	R590 D591 Q597 S598	R590-E594 VanDerWaalsContact CB-OE2 3.23Å; R590-E594 WeakPolarHBondContact CB-OE2 2.95Å; R590-E594 WeakPolarHBondContact CG-OE2 3.44Å; R590-E594 PolarHBondContact N-OE2 2.86Å; R590-E594 IonicContact NE-OE1 2.67Å; R590-E594 IonicContact NE-OE2 3.47Å; D591-E594 PolarHBondContact OD1-N 3.07Å; E594-Q597 WeakPolarHBondContact O-CB 3.49Å; E594-Q597 PolarHBondContact O-N 2.84Å; E594-S598 PolarHBondContact O-N 2.98Å
595	L	81.4	Confident	84.7	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-63.2	-47.5	-179.6	175.5	63.3	0	0	0	111.5	P551 F587 D591 Q597 S598 I599	P551-L595 HydrophobicContact CB-CD2 3.99Å; F587-L595 HydrophobicContact CB-CD1 4.13Å; D591-L595 WeakPolarHBondContact O-CB 3.44Å; D591-L595 PolarHBondContact O-N 3.47Å; L595-Q597 PolarHBondContact O-N 3.27Å; L595-S598 PolarHBondContact O-N 3.39Å; L595-I599 HydrophobicContact CD1-CD1 4.35Å; L595-I599 HydrophobicContact CG-CD1 4.17Å; L595-I599 WeakPolarHBondContact O-CG1 3.04Å; L595-I599 PolarHBondContact O-N 3.34Å
596	F	83.4	Confident	84.9	Confident	24 Å²	24	61.5 Å²	61.5	11%	0.105	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-28.8	177	-63.4	-24.9	0	0	0	111.9	F547 P551 I554 L559 E592 I599 R600	F547-F596 HydrophobicContact CZ-CE2 4.26Å; F547-F596 HydrophobicContact CZ-CZ 4.23Å; P551-F596 HydrophobicContact CB-CE1 3.87Å; P551-F596 HydrophobicContact CB-CZ 4.25Å; I554-F596 HydrophobicContact CD1-CE1 4.18Å; I554-F596 HydrophobicContact CD1-CZ 4.42Å; L559-F596 HydrophobicContact CD1-CB 3.93Å; L559-F596 HydrophobicContact CD1-CD1 4.02Å; L559-F596 HydrophobicContact CD1-CG 4.22Å; L559-F596 HydrophobicContact CD2-CB 4.15Å; L559-F596 HydrophobicContact CD2-CD1 3.51Å; L559-F596 HydrophobicContact CD2-CD2 4.16Å; L559-F596 HydrophobicContact CD2-CE1 3.87Å; L559-F596 HydrophobicContact CD2-CE2 4.48Å; L559-F596 HydrophobicContact CD2-CG 3.67Å; L559-F596 HydrophobicContact CD2-CZ 4.35Å; L559-F596 HydrophobicContact CG-CD1 4.43Å; E592-F596 HydrophobicContact CB-CD2 4.26Å; E592-F596 HydrophobicContact CB-CE2 3.85Å; E592-F596 HydrophobicContact CB-CZ 4.23Å; E592-F596 HydrophobicContact CG-CZ 4.47Å; E592-F596 VanDerWaalsContact O-CB 3.22Å; E592-F596 WeakPolarHBondContact O-CB 3.47Å; E592-F596 WeakPolarHBondContact O-CD2 3.45Å; E592-F596 WeakPolarHBondContact O-CG 3.41Å; E592-F596 PolarHBondContact O-N 2.74Å; F596-I599 HydrophobicContact CD1-CD1 4.36Å; F596-R600 VanDerWaalsContact O-CG 3.3Å; F596-R600 WeakPolarHBondContact O-CG 3.17Å; F596-R600 PolarHBondContact O-N 2.85Å; F596-R600 PolarHBondContact O-NE 2.94Å; F596-R600 PolarHBondContact O-NH1 2.7Å
597	Q	78.9	Confident	84.9	Confident	86 Å²	86	62.5 Å²	62.5	40%	0.402	31%	0.314	S	S	.	.	H	α-helix	trans	-69.4	-46.1	171.5	-173.7	61.7	13.7	0	0	111.4	E593 E594 L595 I599 R600 T601	E593-Q597 VanDerWaalsContact O-CB 3.28Å; E593-Q597 WeakPolarHBondContact O-CB 3.01Å; E593-Q597 PolarHBondContact O-N 3.31Å; E594-Q597 WeakPolarHBondContact O-CB 3.49Å; E594-Q597 PolarHBondContact O-N 2.84Å; L595-Q597 PolarHBondContact O-N 3.27Å; Q597-I599 VanDerWaalsContact C-N 3.34Å; Q597-I599 PolarHBondContact O-N 3.18Å; Q597-R600 VanDerWaalsContact CA-NH2 3.35Å; Q597-R600 CarbonylContact O-C 3.46Å; Q597-R600 WeakPolarHBondContact O-CA 3.34Å; Q597-R600 WeakPolarHBondContact O-CB 3.35Å; Q597-R600 PolarHBondContact O-N 2.91Å; Q597-R600 VanDerWaalsContact OE1-NE 3.09Å; Q597-T601 VanDerWaalsContact NE2-CG2 3.31Å; Q597-T601 PolarHBondContact O-N 3Å; Q597-T601 PolarHBondContact O-OG1 3.31Å
598	S	89.1	Confident	84.9	Confident	8 Å²	8	68.8 Å²	68.8	6%	0.056	36%	0.358	C	S	.	.	H	α-helix	trans	-57	-45.5	176.8	-172.2	0	0	0	0	111.9	H588 E594 L595 R600 T601 D602	H588-S598 PolarHBondContact N-OG 3.23Å; H588-S598 WeakPolarHBondContact O-CB 3.47Å; E594-S598 PolarHBondContact O-N 2.98Å; L595-S598 PolarHBondContact O-N 3.39Å; S598-R600 VanDerWaalsContact C-N 3.28Å; S598-R600 PolarHBondContact O-N 2.64Å; S598-T601 PolarHBondContact O-N 3.18Å; S598-D602 VanDerWaalsContact CA-OD2 3.3Å; S598-D602 WeakPolarHBondContact CA-OD2 3.34Å; S598-D602 VanDerWaalsContact CB-OD2 3.23Å; S598-D602 WeakPolarHBondContact CB-OD2 3.34Å; S598-D602 WeakPolarHBondContact O-CB 3.37Å; S598-D602 PolarHBondContact O-N 3.14Å; S598-D602 PolarHBondContact OG-OD2 2.88Å
599	I	91.1	Very high	85.5	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-56.7	-40.8	172.8	-68	166.5	0	0	0	111.6	P551 P556 L559 W571 F587 L595 F596 Q597 R624	P551-I599 WeakPolarHBondContact O-CD1 3.33Å; P556-I599 HydrophobicContact CB-CG2 4.45Å; L559-I599 HydrophobicContact CD1-CB 3.8Å; L559-I599 HydrophobicContact CD1-CD1 4.17Å; L559-I599 HydrophobicContact CD1-CG2 3.5Å; L559-I599 VanDerWaalsContact CD1-CG2 3.5Å; W571-I599 HydrophobicContact CZ2-CG2 3.92Å; F587-I599 HydrophobicContact CB-CG1 3.77Å; F587-I599 HydrophobicContact CD1-CG1 4.4Å; F587-I599 HydrophobicContact CD2-CG1 3.72Å; F587-I599 HydrophobicContact CE2-CG1 4.46Å; F587-I599 HydrophobicContact CG-CB 4.44Å; F587-I599 HydrophobicContact CG-CG1 3.7Å; L595-I599 HydrophobicContact CD1-CD1 4.35Å; L595-I599 HydrophobicContact CG-CD1 4.17Å; L595-I599 WeakPolarHBondContact O-CG1 3.04Å; L595-I599 PolarHBondContact O-N 3.34Å; F596-I599 HydrophobicContact CD1-CD1 4.36Å; Q597-I599 VanDerWaalsContact C-N 3.34Å; Q597-I599 PolarHBondContact O-N 3.18Å; I599-R624 PolarHBondContact O-NE 2.94Å; I599-R624 PolarHBondContact O-NH2 2.89Å
600	R	87.6	Confident	86.5	Confident	69 Å²	69	71.7 Å²	71.7	26%	0.26	36%	0.36	S	S	.	.	H	α-helix	trans	-73	-33	179.4	-74.9	-177	-60.1	-99.5	0.2	114.2	L559 F596 Q597 S598 R624	L559-R600 HydrophobicContact CB-CG 4.47Å; L559-R600 HydrophobicContact CD1-CG 4.43Å; F596-R600 VanDerWaalsContact O-CG 3.3Å; F596-R600 WeakPolarHBondContact O-CG 3.17Å; F596-R600 PolarHBondContact O-N 2.85Å; F596-R600 PolarHBondContact O-NE 2.94Å; F596-R600 PolarHBondContact O-NH1 2.7Å; Q597-R600 VanDerWaalsContact CA-NH2 3.35Å; Q597-R600 CarbonylContact O-C 3.46Å; Q597-R600 WeakPolarHBondContact O-CA 3.34Å; Q597-R600 WeakPolarHBondContact O-CB 3.35Å; Q597-R600 PolarHBondContact O-N 2.91Å; Q597-R600 VanDerWaalsContact OE1-NE 3.09Å; S598-R600 VanDerWaalsContact C-N 3.28Å; S598-R600 PolarHBondContact O-N 2.64Å; R600-R624 PolarHBondContact O-NE 3.21Å
601	T	88.6	Confident	87.8	Confident	72 Å²	72	66 Å²	66	44%	0.442	35%	0.345	S	S	.	.	H	α-helix	trans	-116	-37.1	-170.3	51.1	0	0	0	0	115.9	Q597 S598	Q597-T601 VanDerWaalsContact NE2-CG2 3.31Å; Q597-T601 PolarHBondContact O-N 3Å; Q597-T601 PolarHBondContact O-OG1 3.31Å; S598-T601 PolarHBondContact O-N 3.18Å
602	D	93.1	Very high	89	Confident	73 Å²	73	71.5 Å²	71.5	39%	0.39	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-84.9	151.8	-159.6	-57	-6.8	0	0	0	111.5	S598 R624	S598-D602 VanDerWaalsContact CA-OD2 3.3Å; S598-D602 WeakPolarHBondContact CA-OD2 3.34Å; S598-D602 VanDerWaalsContact CB-OD2 3.23Å; S598-D602 WeakPolarHBondContact CB-OD2 3.34Å; S598-D602 WeakPolarHBondContact O-CB 3.37Å; S598-D602 PolarHBondContact O-N 3.14Å; S598-D602 PolarHBondContact OG-OD2 2.88Å; D602-R624 PolarHBondContact O-NH1 2.93Å; D602-R624 PolarHBondContact O-NH2 3.31Å
603	S	92.6	Very high	90.2	Very high	99 Å²	99	70.5 Å²	70.5	69%	0.692	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-95.2	126.3	173.4	-65.3	0	0	0	0	109.2
604	P	94.7	Very high	91.4	Very high	15 Å²	15	63 Å²	63	10%	0.097	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-55.8	143.3	178	-26.8	34.8	0	0	0	112.4	Y578 P586 F587 Y606 F622	Y578-P604 HydrophobicContact CD2-CB 4.48Å; Y578-P604 HydrophobicContact CE2-CB 3.94Å; P586-P604 HydrophobicContact CB-CB 4.04Å; P586-P604 HydrophobicContact CB-CG 4.19Å; F587-P604 HydrophobicContact CE1-CG 3.81Å; F587-P604 HydrophobicContact CZ-CG 3.72Å; P604-Y606 HydrophobicContact CB-CE1 4.32Å; P604-Y606 HydrophobicContact CB-CE2 4.39Å; P604-Y606 VanDerWaalsContact O-CD2 3.29Å; P604-Y606 WeakPolarHBondContact O-CD2 3.33Å; P604-Y606 WeakPolarHBondContact O-CE2 3.37Å; P604-F622 HydrophobicContact CB-CD2 4.39Å; P604-F622 HydrophobicContact CB-CE2 4.47Å; P604-F622 HydrophobicContact CG-CB 4.44Å; P604-F622 HydrophobicContact CG-CD2 3.84Å; P604-F622 HydrophobicContact CG-CE2 4.21Å; P604-F622 HydrophobicContact CG-CG 4.09Å
605	I	93.8	Very high	92.4	Very high	130 Å²	130	63.8 Å²	63.8	67%	0.667	33%	0.332	S	S	*	.			trans	-89.9	114.9	-177.2	-60.5	176.3	0	0	0	109.3	Y578 P607	Y578-I605 PolarHBondContact OH-O 3.25Å; I605-P607 WeakPolarHBondContact O-CD 3.28Å
606	Y	95.8	Very high	93.2	Very high	45 Å²	45	66.8 Å²	66.8	18%	0.176	35%	0.348	C	S	.	.			trans	-96.8	115.3	179.2	-53.1	-77.3	0	0	0	110.9	Y578 P604 L610 K615 L618 V619	Y578-Y606 HydrophobicContact CD2-CE1 4.42Å; Y578-Y606 HydrophobicContact CE2-CD1 4.46Å; Y578-Y606 HydrophobicContact CE2-CE1 4.42Å; P604-Y606 HydrophobicContact CB-CE1 4.32Å; P604-Y606 HydrophobicContact CB-CE2 4.39Å; P604-Y606 VanDerWaalsContact O-CD2 3.29Å; P604-Y606 WeakPolarHBondContact O-CD2 3.33Å; P604-Y606 WeakPolarHBondContact O-CE2 3.37Å; Y606-L610 HydrophobicContact CD1-CD2 4.23Å; Y606-K615 HydrophobicContact CD1-CG 4.1Å; Y606-K615 HydrophobicContact CD2-CD 4.44Å; Y606-K615 HydrophobicContact CD2-CG 4.34Å; Y606-K615 HydrophobicContact CG-CD 4.13Å; Y606-K615 HydrophobicContact CG-CG 3.89Å; Y606-L618 HydrophobicContact CD1-CD1 4.41Å; Y606-L618 HydrophobicContact CE1-CB 3.77Å; Y606-L618 HydrophobicContact CE1-CD1 4.24Å; Y606-V619 HydrophobicContact CE1-CG2 4.38Å; Y606-V619 HydrophobicContact CE2-CG2 3.81Å
607	P	94.3	Very high	93.9	Very high	29 Å²	29	65.6 Å²	65.6	19%	0.188	34%	0.343	C	S	.	.			trans	-61.4	149	177.6	-23.5	34.5	0	0	0	112.9	I582 I605 W609 L610	I582-P607 HydrophobicContact CD1-CG 4.42Å; I582-P607 HydrophobicContact CG1-CG 4.41Å; I582-P607 HydrophobicContact CG2-CG 3.98Å; I605-P607 WeakPolarHBondContact O-CD 3.28Å; P607-W609 HydrophobicContact CB-CD2 4.01Å; P607-W609 VanDerWaalsContact CB-CE2 3.43Å; P607-W609 HydrophobicContact CB-CG 4.22Å; P607-W609 HydrophobicContact CB-CZ2 3.77Å; P607-W609 VanDerWaalsContact CB-NE1 3.33Å; P607-W609 HydrophobicContact CG-CH2 4.38Å; P607-W609 HydrophobicContact CG-CZ2 3.72Å; P607-W609 PolarHBondContact O-N 2.71Å; P607-L610 VanDerWaalsContact O-CB 3.29Å; P607-L610 WeakPolarHBondContact O-CB 2.98Å; P607-L610 PolarHBondContact O-N 3.34Å; P607-L610 VanDerWaalsContact O-N 3.09Å
608	S	94.3	Very high	94.8	Very high	132 Å²	132	61.5 Å²	61.5	92%	0.923	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.7	-178	53.2	0	0	0	0	114.6	L610	S608-L610 VanDerWaalsContact C-N 3.31Å
609	W	94.5	Very high	95.3	Very high	133 Å²	133	64.3 Å²	64.3	50%	0.504	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-8.4	176.6	55.1	-104.8	0	0	0	113.6	K483 L581 I582 P607	K483-W609 HydrophobicContact CD-CH2 4.17Å; K483-W609 VanDerWaalsContact NZ-CZ3 3.28Å; L581-W609 VanDerWaalsContact O-CH2 3.23Å; L581-W609 WeakPolarHBondContact O-CH2 3.28Å; I582-W609 HydrophobicContact CB-CH2 4.44Å; I582-W609 HydrophobicContact CG1-CH2 4.05Å; P607-W609 HydrophobicContact CB-CD2 4.01Å; P607-W609 VanDerWaalsContact CB-CE2 3.43Å; P607-W609 HydrophobicContact CB-CG 4.22Å; P607-W609 HydrophobicContact CB-CZ2 3.77Å; P607-W609 VanDerWaalsContact CB-NE1 3.33Å; P607-W609 HydrophobicContact CG-CH2 4.38Å; P607-W609 HydrophobicContact CG-CZ2 3.72Å; P607-W609 PolarHBondContact O-N 2.71Å
610	L	96.3	Very high	95.6	Very high	19 Å²	19	67.9 Å²	67.9	10%	0.099	36%	0.356	C	S	.	.	S	Bend	trans	-72	134.2	177.9	-169.2	67.1	0	0	0	110.2	L581 I582 Y606 P607 S608 A614 K615 L618	L581-L610 HydrophobicContact CB-CD1 4.22Å; L581-L610 HydrophobicContact CD1-CD1 4.38Å; I582-L610 HydrophobicContact CD1-CD2 4.36Å; Y606-L610 HydrophobicContact CD1-CD2 4.23Å; P607-L610 VanDerWaalsContact O-CB 3.29Å; P607-L610 WeakPolarHBondContact O-CB 2.98Å; P607-L610 PolarHBondContact O-N 3.34Å; P607-L610 VanDerWaalsContact O-N 3.09Å; S608-L610 VanDerWaalsContact C-N 3.31Å; L610-A614 HydrophobicContact CD1-CB 3.78Å; L610-A614 HydrophobicContact CG-CB 3.96Å; L610-K615 HydrophobicContact CD2-CB 4.04Å; L610-L618 HydrophobicContact CD2-CD1 4.09Å
611	T	97.4	Very high	96.2	Very high	56 Å²	56	64.6 Å²	64.6	34%	0.344	34%	0.344	S	S	.	.			trans	-65.1	152.6	-178.2	66.9	0	0	0	0	111.6	L486 T613 A614 K615	L486-T611 HydrophobicContact CD2-CG2 3.8Å; T611-T613 VanDerWaalsContact C-N 3.27Å; T611-T613 PolarHBondContact O-N 2.66Å; T611-A614 PolarHBondContact O-N 2.93Å; T611-A614 VanDerWaalsContact O-N 3.15Å; T611-A614 WeakPolarHBondContact OG1-CB 3.28Å; T611-A614 PolarHBondContact OG1-N 2.93Å; T611-K615 PolarHBondContact O-N 3.12Å
612	K	97.8	Very high	96.6	Very high	191 Å²	191	61.9 Å²	61.9	83%	0.83	33%	0.326	S	S	*	.	H	α-helix	trans	-54.6	-43.1	-179.1	-66.7	-177.8	-179.7	178.3	0	112.1	D616	K612-D616 WeakPolarHBondContact O-CB 3.46Å; K612-D616 PolarHBondContact O-N 2.96Å
613	T	98.1	Very high	96.9	Very high	59 Å²	59	60.5 Å²	60.5	36%	0.362	32%	0.32	S	S	.	.	H	α-helix	trans	-71.1	-35.7	179.5	48.2	0	0	0	0	113.3	T611 D616 I617	T611-T613 VanDerWaalsContact C-N 3.27Å; T611-T613 PolarHBondContact O-N 2.66Å; T613-D616 PolarHBondContact O-N 3.22Å; T613-I617 PolarHBondContact O-N 2.94Å
614	A	98.3	Very high	97.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-70.8	-36.9	175.2	0	0	0	0	0	112.3	L486 L581 L610 T611 I617 L618 F641	L486-A614 HydrophobicContact CD1-CB 4.32Å; L581-A614 HydrophobicContact CD1-CB 4.16Å; L610-A614 HydrophobicContact CD1-CB 3.78Å; L610-A614 HydrophobicContact CG-CB 3.96Å; T611-A614 PolarHBondContact O-N 2.93Å; T611-A614 VanDerWaalsContact O-N 3.15Å; T611-A614 WeakPolarHBondContact OG1-CB 3.28Å; T611-A614 PolarHBondContact OG1-N 2.93Å; A614-I617 WeakPolarHBondContact O-CG2 3.42Å; A614-L618 WeakPolarHBondContact O-CD1 3.17Å; A614-L618 VanDerWaalsContact O-CG 3.29Å; A614-L618 WeakPolarHBondContact O-CG 3.17Å; A614-L618 PolarHBondContact O-N 3.38Å; A614-F641 HydrophobicContact CB-CD2 3.92Å; A614-F641 HydrophobicContact CB-CE2 3.79Å
615	K	98.5	Very high	97.2	Very high	97 Å²	97	64.4 Å²	64.4	42%	0.422	32%	0.322	S	S	.	.	H	α-helix	trans	-65.8	-45.9	170.2	-177.8	173.4	177.9	174.7	0	111.7	Y606 L610 T611 I617 L618 V619	Y606-K615 HydrophobicContact CD1-CG 4.1Å; Y606-K615 HydrophobicContact CD2-CD 4.44Å; Y606-K615 HydrophobicContact CD2-CG 4.34Å; Y606-K615 HydrophobicContact CG-CD 4.13Å; Y606-K615 HydrophobicContact CG-CG 3.89Å; L610-K615 HydrophobicContact CD2-CB 4.04Å; T611-K615 PolarHBondContact O-N 3.12Å; K615-I617 PolarHBondContact O-N 3.01Å; K615-L618 PolarHBondContact O-N 3.16Å; K615-V619 HydrophobicContact CG-CG2 4.26Å; K615-V619 WeakPolarHBondContact O-CG2 3.23Å; K615-V619 PolarHBondContact O-N 3.38Å
616	D	98.6	Very high	97.3	Very high	65 Å²	65	58.8 Å²	58.8	35%	0.348	29%	0.294	S	S	.	.	H	α-helix	trans	-62.9	-40.2	-176.2	-178.2	49.3	0	0	0	112.9	K612 T613 K620 H639	K612-D616 WeakPolarHBondContact O-CB 3.46Å; K612-D616 PolarHBondContact O-N 2.96Å; T613-D616 PolarHBondContact O-N 3.22Å; D616-K620 WeakPolarHBondContact O-CG 3.49Å; D616-K620 PolarHBondContact O-N 2.95Å; D616-K620 WeakPolarHBondContact OD1-CE 3.45Å; D616-K620 IonicContact OD1-NZ 3.2Å; D616-K620 PolarHBondContact OD1-NZ 3.05Å; D616-K620 IonicContact OD2-NZ 2.76Å; D616-K620 PolarHBondContact OD2-NZ 3.24Å; D616-H639 IonicContact OD2-CE1 2.7Å; D616-H639 PolarHBondContact OD2-CE1 3.18Å; D616-H639 VanDerWaalsContact OD2-CE1 3.23Å; D616-H639 IonicContact OD2-NE2 2.7Å; D616-H639 PolarHBondContact OD2-NE2 2.84Å; D616-H639 VanDerWaalsContact OD2-NE2 3.14Å
617	I	98.7	Very high	97.3	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.2	-44	175	-167.1	169.8	0	0	0	111.7	L577 T613 A614 K615 V619 K620 L621 L630 I636 H639 F641 F642	L577-I617 HydrophobicContact CD2-CD1 4.24Å; L577-I617 HydrophobicContact CD2-CG2 3.89Å; T613-I617 PolarHBondContact O-N 2.94Å; A614-I617 WeakPolarHBondContact O-CG2 3.42Å; K615-I617 PolarHBondContact O-N 3.01Å; I617-V619 PolarHBondContact O-N 3.07Å; I617-K620 PolarHBondContact O-N 3.25Å; I617-L621 HydrophobicContact CD1-CD1 4.47Å; I617-L621 HydrophobicContact CG1-CD1 3.88Å; I617-L621 HydrophobicContact CG1-CG 4.4Å; I617-L621 WeakPolarHBondContact O-CG 3.44Å; I617-L621 PolarHBondContact O-N 3.06Å; I617-L630 HydrophobicContact CG1-CD2 3.89Å; I617-I636 HydrophobicContact CD1-CG1 4.46Å; I617-H639 HydrophobicContact CD1-CB 4.33Å; I617-H639 PolarHBondContact N-CE1 3.47Å; I617-H639 VanDerWaalsContact N-CE1 3.33Å; I617-F641 HydrophobicContact CB-CB 4.16Å; I617-F641 HydrophobicContact CB-CG 4.47Å; I617-F641 HydrophobicContact CD1-CB 4.02Å; I617-F641 HydrophobicContact CD1-CD1 3.88Å; I617-F641 HydrophobicContact CD1-CG 4.16Å; I617-F641 HydrophobicContact CG2-CB 4.06Å; I617-F641 HydrophobicContact CG2-CD1 4.33Å; I617-F641 HydrophobicContact CG2-CD2 4Å; I617-F641 HydrophobicContact CG2-CG 3.88Å; I617-F642 HydrophobicContact CD1-CD2 4.24Å; I617-F642 HydrophobicContact CD1-CE2 3.53Å; I617-F642 HydrophobicContact CD1-CZ 4.17Å
618	L	98.8	Very high	97.5	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.6	-43.1	179.2	-67.9	173	0	0	0	111.6	G574 L577 Y578 L581 Y606 L610 A614 K615 K620 L621 F622	G574-L618 WeakPolarHBondContact O-CD2 3.31Å; L577-L618 HydrophobicContact CB-CD2 4.01Å; L577-L618 HydrophobicContact CD2-CD2 4.07Å; L577-L618 HydrophobicContact CG-CD2 3.88Å; Y578-L618 HydrophobicContact CD2-CD1 4.07Å; L581-L618 HydrophobicContact CD1-CD1 4.16Å; Y606-L618 HydrophobicContact CD1-CD1 4.41Å; Y606-L618 HydrophobicContact CE1-CB 3.77Å; Y606-L618 HydrophobicContact CE1-CD1 4.24Å; L610-L618 HydrophobicContact CD2-CD1 4.09Å; A614-L618 WeakPolarHBondContact O-CD1 3.17Å; A614-L618 VanDerWaalsContact O-CG 3.29Å; A614-L618 WeakPolarHBondContact O-CG 3.17Å; A614-L618 PolarHBondContact O-N 3.38Å; K615-L618 PolarHBondContact O-N 3.16Å; L618-K620 VanDerWaalsContact C-N 3.27Å; L618-K620 PolarHBondContact O-N 2.87Å; L618-L621 PolarHBondContact O-N 3.26Å; L618-L621 VanDerWaalsContact O-N 3.17Å; L618-F622 HydrophobicContact CB-CD2 4.21Å; L618-F622 HydrophobicContact CB-CE2 4.09Å; L618-F622 HydrophobicContact CD2-CE2 4.09Å; L618-F622 WeakPolarHBondContact O-CD2 3.48Å; L618-F622 PolarHBondContact O-N 3.16Å
619	V	98.4	Very high	97.7	Very high	67 Å²	67	58.1 Å²	58.1	41%	0.406	28%	0.276	S	S	.	.	H	α-helix	trans	-58	-39.3	175.8	167.7	0	0	0	0	111.8	Y606 K615 I617	Y606-V619 HydrophobicContact CE1-CG2 4.38Å; Y606-V619 HydrophobicContact CE2-CG2 3.81Å; K615-V619 HydrophobicContact CG-CG2 4.26Å; K615-V619 WeakPolarHBondContact O-CG2 3.23Å; K615-V619 PolarHBondContact O-N 3.38Å; I617-V619 PolarHBondContact O-N 3.07Å
620	K	98.6	Very high	97.8	Very high	75 Å²	75	52.5 Å²	52.5	33%	0.326	26%	0.256	S	S	.	.	H	α-helix	trans	-79.3	-19.7	179.1	-64.9	170.7	-171.9	154.6	0	114.2	D616 I617 L618 V623 L630 H639	D616-K620 WeakPolarHBondContact O-CG 3.49Å; D616-K620 PolarHBondContact O-N 2.95Å; D616-K620 WeakPolarHBondContact OD1-CE 3.45Å; D616-K620 IonicContact OD1-NZ 3.2Å; D616-K620 PolarHBondContact OD1-NZ 3.05Å; D616-K620 IonicContact OD2-NZ 2.76Å; D616-K620 PolarHBondContact OD2-NZ 3.24Å; I617-K620 PolarHBondContact O-N 3.25Å; L618-K620 VanDerWaalsContact C-N 3.27Å; L618-K620 PolarHBondContact O-N 2.87Å; K620-V623 WeakPolarHBondContact O-CG2 3.07Å; K620-L630 HydrophobicContact CB-CB 3.81Å; K620-L630 HydrophobicContact CB-CD2 4.1Å; K620-L630 PolarHBondContact O-N 2.93Å; K620-H639 PolarHBondContact NZ-NE2 2.9Å
621	L	98.6	Very high	97.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-83.6	-35	172	-68.9	166.9	0	0	0	111.8	W570 F573 L577 I617 L618 V623 R629 L630 I636	W570-L621 HydrophobicContact CB-CD2 4.36Å; F573-L621 HydrophobicContact CD1-CD1 3.69Å; F573-L621 HydrophobicContact CD1-CD2 4.17Å; F573-L621 HydrophobicContact CE1-CD1 3.83Å; L577-L621 HydrophobicContact CD2-CD1 4.35Å; I617-L621 HydrophobicContact CD1-CD1 4.47Å; I617-L621 HydrophobicContact CG1-CD1 3.88Å; I617-L621 HydrophobicContact CG1-CG 4.4Å; I617-L621 WeakPolarHBondContact O-CG 3.44Å; I617-L621 PolarHBondContact O-N 3.06Å; L618-L621 PolarHBondContact O-N 3.26Å; L618-L621 VanDerWaalsContact O-N 3.17Å; L621-V623 PolarHBondContact O-N 2.81Å; L621-V623 VanDerWaalsContact O-N 3.16Å; L621-R629 VanDerWaalsContact O-CD 3.27Å; L621-R629 WeakPolarHBondContact O-CD 3.48Å; L621-R629 VanDerWaalsContact O-CG 3.29Å; L621-R629 WeakPolarHBondContact O-CG 3.45Å; L621-L630 HydrophobicContact CD2-CB 4.21Å; L621-I636 HydrophobicContact CD2-CD1 4.07Å
622	F	98.5	Very high	97.6	Very high	14 Å²	14	52.2 Å²	52.2	6%	0.061	26%	0.259	C	S	.	.	S	Bend	trans	-82.8	26.7	175.5	-62.5	-52.7	0	0	0	114.1	W571 G574 V575 Y578 P586 F587 P604 L618 R624	W571-F622 HydrophobicContact CD2-CD1 4.4Å; W571-F622 HydrophobicContact CE3-CD1 4.3Å; W571-F622 HydrophobicContact CH2-CD1 4.13Å; W571-F622 HydrophobicContact CZ2-CD1 4.2Å; W571-F622 HydrophobicContact CZ3-CB 4.27Å; W571-F622 HydrophobicContact CZ3-CD1 4.19Å; G574-F622 VanDerWaalsContact O-CZ 3.26Å; G574-F622 WeakPolarHBondContact O-CZ 2.99Å; V575-F622 HydrophobicContact CG2-CE1 3.8Å; V575-F622 HydrophobicContact CG2-CZ 4.42Å; Y578-F622 AromaticContact CD2-CE2 3.95Å; Y578-F622 HydrophobicContact CD2-CE2 3.95Å; Y578-F622 HydrophobicContact CD2-CZ 4.43Å; Y578-F622 HydrophobicContact CG-CE2 4.39Å; Y578-F622 HydrophobicContact CG-CZ 4.45Å; P586-F622 HydrophobicContact CB-CE2 4.37Å; P586-F622 HydrophobicContact CB-CZ 3.96Å; P586-F622 HydrophobicContact CG-CE1 4.21Å; P586-F622 HydrophobicContact CG-CZ 3.85Å; F587-F622 HydrophobicContact CE2-CD1 4.24Å; F587-F622 HydrophobicContact CE2-CE1 4.12Å; F587-F622 HydrophobicContact CZ-CD1 4.24Å; P604-F622 HydrophobicContact CB-CD2 4.39Å; P604-F622 HydrophobicContact CB-CE2 4.47Å; P604-F622 HydrophobicContact CG-CB 4.44Å; P604-F622 HydrophobicContact CG-CD2 3.84Å; P604-F622 HydrophobicContact CG-CE2 4.21Å; P604-F622 HydrophobicContact CG-CG 4.09Å; L618-F622 HydrophobicContact CB-CD2 4.21Å; L618-F622 HydrophobicContact CB-CE2 4.09Å; L618-F622 HydrophobicContact CD2-CE2 4.09Å; L618-F622 WeakPolarHBondContact O-CD2 3.48Å; L618-F622 PolarHBondContact O-N 3.16Å; F622-R624 PolarHBondContact O-N 3.35Å
623	V	98.2	Very high	97.3	Very high	44 Å²	44	48.2 Å²	48.2	27%	0.267	24%	0.242	S	C	.	.			trans	-74.4	123.1	168.2	179.5	0	0	0	0	108.6	K620 L621 E625 E628 R629	K620-V623 WeakPolarHBondContact O-CG2 3.07Å; L621-V623 PolarHBondContact O-N 2.81Å; L621-V623 VanDerWaalsContact O-N 3.16Å; V623-E625 HydrophobicContact CG1-CB 4.37Å; V623-E628 HydrophobicContact CG1-CB 3.87Å; V623-R629 HydrophobicContact CB-CB 4.32Å; V623-R629 HydrophobicContact CB-CG 4.47Å; V623-R629 PolarHBondContact O-NE 2.9Å; V623-R629 PolarHBondContact O-NH2 2.84Å; V623-R629 VanDerWaalsContact O-NH2 3.09Å
624	R	96.1	Very high	97.1	Very high	78 Å²	78	48.1 Å²	48.1	29%	0.294	25%	0.253	S	S	.	.	S	Bend	trans	-71.9	-35.5	-176.2	-70.1	-176.9	162.7	91.3	5.9	113.2	P556 W571 I599 R600 D602 F622 P626 R629	P556-R624 HydrophobicContact CG-CB 4.34Å; P556-R624 HydrophobicContact CG-CG 4.26Å; W571-R624 HydrophobicContact CH2-CG 4.44Å; W571-R624 HydrophobicContact CZ3-CG 4.35Å; I599-R624 PolarHBondContact O-NE 2.94Å; I599-R624 PolarHBondContact O-NH2 2.89Å; R600-R624 PolarHBondContact O-NE 3.21Å; D602-R624 PolarHBondContact O-NH1 2.93Å; D602-R624 PolarHBondContact O-NH2 3.31Å; F622-R624 PolarHBondContact O-N 3.35Å; R624-P626 VanDerWaalsContact O-CD 3.3Å; R624-P626 WeakPolarHBondContact O-CD 3.47Å; R624-R629 PolarHBondContact O-NH2 2.9Å
625	E	97.3	Very high	96.9	Very high	118 Å²	118	50.5 Å²	50.5	55%	0.551	27%	0.269	S	S	*	.	S	Bend	trans	-71.2	112.9	173.4	-171.6	58.7	-108.3	0	0	109.5	V623 E627 E628 R629	V623-E625 HydrophobicContact CG1-CB 4.37Å; E625-E627 VanDerWaalsContact C-N 3.33Å; E625-E627 PolarHBondContact O-N 2.83Å; E625-E628 HydrophobicContact CB-CB 4.28Å; E625-E628 HydrophobicContact CB-CG 4.49Å; E625-E628 HydrophobicContact CG-CB 4.4Å; E625-E628 HydrophobicContact CG-CG 4.17Å; E625-E628 PolarHBondContact O-N 2.99Å; E625-R629 PolarHBondContact O-N 3.32Å
626	P	96.7	Very high	96.8	Very high	12 Å²	12	45.9 Å²	45.9	8%	0.078	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-64.9	-34.9	-168.5	-24.2	36.4	0	0	0	113.7	E557 R624 E628 R629	E557-P626 HydrophobicContact CB-CG 3.88Å; E557-P626 HydrophobicContact CG-CG 3.98Å; R624-P626 VanDerWaalsContact O-CD 3.3Å; R624-P626 WeakPolarHBondContact O-CD 3.47Å; P626-E628 VanDerWaalsContact C-N 3.26Å; P626-E628 PolarHBondContact O-N 3.2Å; P626-R629 VanDerWaalsContact O-CB 3.29Å; P626-R629 WeakPolarHBondContact O-CB 3.12Å; P626-R629 PolarHBondContact O-N 3.33Å
627	E	95.8	Very high	96.8	Very high	89 Å²	89	45.8 Å²	45.8	42%	0.416	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-75.9	-12.3	-178	-53.9	-65.2	169.5	0	0	112.8	R543 E625	R543-E627 IonicContact CZ-OE1 3.53Å; R543-E627 IonicContact NE-OE1 2.68Å; R543-E627 IonicContact NH2-OE1 3.15Å; R543-E627 PolarHBondContact NH2-OE1 2.85Å; R543-E627 IonicContact NH2-OE2 2.85Å; E625-E627 VanDerWaalsContact C-N 3.33Å; E625-E627 PolarHBondContact O-N 2.83Å
628	E	97.6	Very high	96.7	Very high	103 Å²	103	53.7 Å²	53.7	48%	0.481	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-99.8	-3.9	173.4	-71.2	-67	129.5	0	0	113	V623 E625 P626 K633	V623-E628 HydrophobicContact CG1-CB 3.87Å; E625-E628 HydrophobicContact CB-CB 4.28Å; E625-E628 HydrophobicContact CB-CG 4.49Å; E625-E628 HydrophobicContact CG-CB 4.4Å; E625-E628 HydrophobicContact CG-CG 4.17Å; E625-E628 PolarHBondContact O-N 2.99Å; P626-E628 VanDerWaalsContact C-N 3.26Å; P626-E628 PolarHBondContact O-N 3.2Å; E628-K633 IonicContact OE1-NZ 2.85Å; E628-K633 PolarHBondContact OE1-NZ 2.85Å; E628-K633 WeakPolarHBondContact OE2-CD 3.45Å; E628-K633 IonicContact OE2-NZ 2.63Å; E628-K633 PolarHBondContact OE2-NZ 2.68Å
629	R	98.2	Very high	96.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	-76.3	139.2	-175.4	-166.1	178.7	-63.3	149.7	4.2	111.9	E557 S567 L621 V623 R624 E625 P626 G631 V632 K633	E557-R629 IonicContact OE1-CZ 2.87Å; E557-R629 IonicContact OE1-NH1 2.7Å; E557-R629 PolarHBondContact OE1-NH1 3.25Å; E557-R629 IonicContact OE1-NH2 2.91Å; E557-R629 PolarHBondContact OE1-NH2 2.74Å; E557-R629 IonicContact OE2-CZ 2.69Å; E557-R629 IonicContact OE2-NH1 2.67Å; E557-R629 PolarHBondContact OE2-NH1 3.29Å; E557-R629 IonicContact OE2-NH2 3.96Å; E557-R629 PolarHBondContact OE2-NH2 3.09Å; S567-R629 PolarHBondContact O-NH1 2.8Å; L621-R629 VanDerWaalsContact O-CD 3.27Å; L621-R629 WeakPolarHBondContact O-CD 3.48Å; L621-R629 VanDerWaalsContact O-CG 3.29Å; L621-R629 WeakPolarHBondContact O-CG 3.45Å; V623-R629 HydrophobicContact CB-CB 4.32Å; V623-R629 HydrophobicContact CB-CG 4.47Å; V623-R629 PolarHBondContact O-NE 2.9Å; V623-R629 PolarHBondContact O-NH2 2.84Å; V623-R629 VanDerWaalsContact O-NH2 3.09Å; R624-R629 PolarHBondContact O-NH2 2.9Å; E625-R629 PolarHBondContact O-N 3.32Å; P626-R629 VanDerWaalsContact O-CB 3.29Å; P626-R629 WeakPolarHBondContact O-CB 3.12Å; P626-R629 PolarHBondContact O-N 3.33Å; R629-G631 PolarHBondContact O-N 2.69Å; R629-V632 WeakPolarHBondContact O-CB 3.21Å; R629-V632 PolarHBondContact O-N 3.49Å; R629-K633 PolarHBondContact O-N 2.9Å
630	L	98.2	Very high	96.7	Very high	16 Å²	16	52.8 Å²	52.8	8%	0.084	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-58.4	136.3	175.3	-180	65.5	0	0	0	111.2	I617 K620 L621 V632 I636 H639	I617-L630 HydrophobicContact CG1-CD2 3.89Å; K620-L630 HydrophobicContact CB-CB 3.81Å; K620-L630 HydrophobicContact CB-CD2 4.1Å; K620-L630 PolarHBondContact O-N 2.93Å; L621-L630 HydrophobicContact CD2-CB 4.21Å; L630-V632 VanDerWaalsContact C-N 3.3Å; L630-I636 HydrophobicContact CD2-CG1 4.17Å; L630-I636 HydrophobicContact CG-CB 4.31Å; L630-I636 HydrophobicContact CG-CG1 4.25Å; L630-H639 HydrophobicContact CD2-CB 4.47Å
631	G	94.4	Very high	96.7	Very high	23 Å²	23	49.7 Å²	49.7	24%	0.237	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	-22.4	-173	0	0	0	0	0	113.4	W570 R629	W570-G631 PolarHBondContact NE1-O 3.08Å; W570-G631 VanDerWaalsContact NE1-O 3.15Å; R629-G631 PolarHBondContact O-N 2.69Å
632	V	94.7	Very high	96.7	Very high	46 Å²	46	49.9 Å²	49.9	28%	0.279	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-55.3	160	-173.6	0	0	0	0	108.6	R629 L630	R629-V632 WeakPolarHBondContact O-CB 3.21Å; R629-V632 PolarHBondContact O-N 3.49Å; L630-V632 VanDerWaalsContact C-N 3.3Å
633	K	92.1	Very high	96.6	Very high	106 Å²	106	54.2 Å²	54.2	46%	0.461	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-93.4	113.8	173.6	-166.7	167.3	-176.4	174.5	0	110.8	E628 R629	E628-K633 IonicContact OE1-NZ 2.85Å; E628-K633 PolarHBondContact OE1-NZ 2.85Å; E628-K633 WeakPolarHBondContact OE2-CD 3.45Å; E628-K633 IonicContact OE2-NZ 2.63Å; E628-K633 PolarHBondContact OE2-NZ 2.68Å; R629-K633 PolarHBondContact O-N 2.9Å
634	G	92.4	Very high	96.4	Very high	58 Å²	58	57 Å²	57	60%	0.598	32%	0.323	S	S	*	.	S	Bend	trans	72.7	168.5	-179	0	0	0	0	0	114
635	S	94.4	Very high	96.4	Very high	49 Å²	49	54.8 Å²	54.8	34%	0.343	32%	0.318	S	S	.	.			trans	-88.3	120.2	-174.7	-176.9	0	0	0	0	112.4	R637 Q638	S635-R637 PolarHBondContact O-N 2.78Å; S635-R637 PolarHBondContact OG-N 2.76Å; S635-Q638 PolarHBondContact O-N 3.46Å; S635-Q638 VanDerWaalsContact O-N 3.17Å
636	I	97.3	Very high	96.4	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-60.3	-32	173.7	-165.4	166.8	0	0	0	112.5	V497 W570 F573 I617 L621 L630 Q638 H639 F642	V497-I636 HydrophobicContact CG1-CG2 3.84Å; V497-I636 HydrophobicContact CG2-CD1 4.14Å; V497-I636 HydrophobicContact CG2-CG2 4.4Å; W570-I636 HydrophobicContact CE3-CD1 3.76Å; W570-I636 HydrophobicContact CH2-CD1 4.47Å; W570-I636 HydrophobicContact CH2-CG2 3.95Å; W570-I636 HydrophobicContact CZ3-CD1 3.65Å; W570-I636 HydrophobicContact CZ3-CG2 4.18Å; F573-I636 HydrophobicContact CD1-CD1 3.99Å; F573-I636 HydrophobicContact CE1-CD1 3.63Å; F573-I636 HydrophobicContact CZ-CD1 4.41Å; I617-I636 HydrophobicContact CD1-CG1 4.46Å; L621-I636 HydrophobicContact CD2-CD1 4.07Å; L630-I636 HydrophobicContact CD2-CG1 4.17Å; L630-I636 HydrophobicContact CG-CB 4.31Å; L630-I636 HydrophobicContact CG-CG1 4.25Å; I636-Q638 PolarHBondContact O-N 2.78Å; I636-H639 WeakPolarHBondContact O-CB 3.49Å; I636-H639 PolarHBondContact O-N 2.88Å; I636-H639 VanDerWaalsContact O-N 3.16Å; I636-F642 HydrophobicContact CG1-CE2 4.14Å; I636-F642 WeakPolarHBondContact O-CD2 3.25Å
637	R	97.9	Very high	96.5	Very high	62 Å²	62	54.8 Å²	54.8	23%	0.234	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-64.8	-23.7	178.1	-66.3	-165.9	-175.3	-157.5	-1.5	113.8	V497 Q501 S635 W647 E651	V497-R637 HydrophobicContact CG1-CG 4.3Å; Q501-R637 VanDerWaalsContact OE1-CZ 3.26Å; S635-R637 PolarHBondContact O-N 2.78Å; S635-R637 PolarHBondContact OG-N 2.76Å; R637-W647 HydrophobicContact CB-CD2 4.19Å; R637-W647 HydrophobicContact CB-CH2 4.43Å; R637-W647 HydrophobicContact CB-CZ2 3.77Å; R637-W647 HydrophobicContact CG-CD2 3.84Å; R637-W647 HydrophobicContact CG-CE3 3.99Å; R637-W647 HydrophobicContact CG-CH2 3.92Å; R637-W647 HydrophobicContact CG-CZ2 3.74Å; R637-W647 HydrophobicContact CG-CZ3 4.03Å; R637-W647 PolarHBondContact O-NE1 2.92Å; R637-E651 IonicContact CZ-OE1 2.64Å; R637-E651 IonicContact NH1-OE1 3.9Å; R637-E651 PolarHBondContact NH1-OE1 2.04Å; R637-E651 IonicContact NH1-OE2 2.7Å; R637-E651 IonicContact NH2-OE1 2.66Å; R637-E651 PolarHBondContact NH2-OE1 3.13Å
638	Q	97.3	Very high	96.5	Very high	166 Å²	166	53.6 Å²	53.6	78%	0.776	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-90.3	-1.1	180	-66.5	174.3	-15.2	0	0	112.8	S635 I636	S635-Q638 PolarHBondContact O-N 3.46Å; S635-Q638 VanDerWaalsContact O-N 3.17Å; I636-Q638 PolarHBondContact O-N 2.78Å
639	H	98.5	Very high	96.5	Very high	13 Å²	13	49.4 Å²	49.4	6%	0.06	30%	0.303	C	S	.	.	S	Bend	trans	-68.1	137.2	179.6	-160.6	-83.8	0	0	0	111.2	D616 I617 K620 L630 I636 F641 F642	D616-H639 IonicContact OD2-CE1 2.7Å; D616-H639 PolarHBondContact OD2-CE1 3.18Å; D616-H639 VanDerWaalsContact OD2-CE1 3.23Å; D616-H639 IonicContact OD2-NE2 2.7Å; D616-H639 PolarHBondContact OD2-NE2 2.84Å; D616-H639 VanDerWaalsContact OD2-NE2 3.14Å; I617-H639 HydrophobicContact CD1-CB 4.33Å; I617-H639 PolarHBondContact N-CE1 3.47Å; I617-H639 VanDerWaalsContact N-CE1 3.33Å; K620-H639 PolarHBondContact NZ-NE2 2.9Å; L630-H639 HydrophobicContact CD2-CB 4.47Å; I636-H639 WeakPolarHBondContact O-CB 3.49Å; I636-H639 PolarHBondContact O-N 2.88Å; I636-H639 VanDerWaalsContact O-N 3.16Å; H639-F641 PolarHBondContact ND1-N 2.84Å; H639-F641 PolarHBondContact O-N 2.94Å; H639-F642 HydrophobicContact CB-CD2 4.43Å; H639-F642 PolarHBondContact O-N 2.83Å
640	G	98.1	Very high	96.4	Very high	36 Å²	36	49.6 Å²	49.6	37%	0.371	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-61.9	-3.4	-178.3	0	0	0	0	0	116.1	S643	G640-S643 PolarHBondContact O-OG 2.82Å
641	F	98.5	Very high	96.3	Very high	9 Å²	9	52.7 Å²	52.7	4%	0.039	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-73.9	-28.4	169	179.3	-100.2	0	0	0	112.3	L486 T490 A493 L577 L581 A614 I617 H639	L486-F641 HydrophobicContact CD1-CE2 3.67Å; L486-F641 HydrophobicContact CD1-CZ 4.33Å; T490-F641 HydrophobicContact CG2-CD1 4.38Å; T490-F641 HydrophobicContact CG2-CE1 4.04Å; T490-F641 HydrophobicContact CG2-CZ 4.44Å; T490-F641 WeakPolarHBondContact OG1-CE1 3.37Å; T490-F641 WeakPolarHBondContact OG1-CZ 3.45Å; A493-F641 HydrophobicContact CB-CE1 4.31Å; L577-F641 HydrophobicContact CD1-CE1 4.11Å; L577-F641 HydrophobicContact CD1-CZ 3.85Å; L577-F641 HydrophobicContact CD2-CE1 4.21Å; L577-F641 HydrophobicContact CD2-CZ 4.41Å; L581-F641 HydrophobicContact CD1-CE2 4.34Å; L581-F641 HydrophobicContact CD1-CZ 4.46Å; A614-F641 HydrophobicContact CB-CD2 3.92Å; A614-F641 HydrophobicContact CB-CE2 3.79Å; I617-F641 HydrophobicContact CB-CB 4.16Å; I617-F641 HydrophobicContact CB-CG 4.47Å; I617-F641 HydrophobicContact CD1-CB 4.02Å; I617-F641 HydrophobicContact CD1-CD1 3.88Å; I617-F641 HydrophobicContact CD1-CG 4.16Å; I617-F641 HydrophobicContact CG2-CB 4.06Å; I617-F641 HydrophobicContact CG2-CD1 4.33Å; I617-F641 HydrophobicContact CG2-CD2 4Å; I617-F641 HydrophobicContact CG2-CG 3.88Å; H639-F641 PolarHBondContact ND1-N 2.84Å; H639-F641 PolarHBondContact O-N 2.94Å
642	F	98.5	Very high	96.4	Very high	4 Å²	4	57 Å²	57	2%	0.018	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-104.7	22.4	177.3	-59.2	-69.3	0	0	0	112.3	T490 A493 A494 V497 F573 I617 I636 H639 S644 T645 W647	T490-F642 HydrophobicContact CG2-CD1 3.94Å; T490-F642 HydrophobicContact CG2-CE1 4.31Å; A493-F642 HydrophobicContact CB-CE1 3.98Å; A493-F642 HydrophobicContact CB-CZ 4.1Å; A494-F642 HydrophobicContact CB-CD1 4.06Å; A494-F642 HydrophobicContact CB-CE1 3.93Å; V497-F642 HydrophobicContact CG2-CZ 4.31Å; F573-F642 HydrophobicContact CZ-CZ 4.31Å; I617-F642 HydrophobicContact CD1-CD2 4.24Å; I617-F642 HydrophobicContact CD1-CE2 3.53Å; I617-F642 HydrophobicContact CD1-CZ 4.17Å; I636-F642 HydrophobicContact CG1-CE2 4.14Å; I636-F642 WeakPolarHBondContact O-CD2 3.25Å; H639-F642 HydrophobicContact CB-CD2 4.43Å; H639-F642 PolarHBondContact O-N 2.83Å; F642-S644 PolarHBondContact O-N 2.62Å; F642-S644 VanDerWaalsContact O-N 3.15Å; F642-T645 WeakPolarHBondContact O-CB 3.22Å; F642-T645 PolarHBondContact O-N 2.78Å; F642-W647 HydrophobicContact CB-CH2 4.46Å; F642-W647 HydrophobicContact CB-CZ2 3.6Å; F642-W647 HydrophobicContact CD1-CH2 4.03Å; F642-W647 AromaticContact CD1-CZ2 4Å; F642-W647 HydrophobicContact CD1-CZ2 4Å; F642-W647 HydrophobicContact CD2-CH2 4.23Å; F642-W647 AromaticContact CD2-CZ2 3.94Å; F642-W647 HydrophobicContact CD2-CZ2 3.94Å; F642-W647 HydrophobicContact CE1-CH2 4.28Å; F642-W647 HydrophobicContact CE2-CH2 4.46Å; F642-W647 HydrophobicContact CG-CH2 4Å; F642-W647 AromaticContact CG-CZ2 3.59Å; F642-W647 HydrophobicContact CG-CZ2 3.59Å; F642-W647 HydrophobicContact CZ-CH2 4.49Å
643	S	96.3	Very high	96.5	Very high	105 Å²	105	58.2 Å²	58.2	73%	0.734	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-21.3	-175	51.2	0	0	0	0	114.3	G640	G640-S643 PolarHBondContact O-OG 2.82Å
644	S	93.5	Very high	96.7	Very high	104 Å²	104	59.4 Å²	59.4	73%	0.727	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	9.5	174.2	64.7	0	0	0	0	114	F642	F642-S644 PolarHBondContact O-N 2.62Å; F642-S644 VanDerWaalsContact O-N 3.15Å
645	T	97.2	Very high	96.9	Very high	30 Å²	30	59 Å²	59	18%	0.184	33%	0.325	C	S	.	.			trans	-93.7	111.3	-176.4	-58.5	0	0	0	0	110.7	A494 F642 W647 L650	A494-T645 HydrophobicContact CB-CG2 3.91Å; F642-T645 WeakPolarHBondContact O-CB 3.22Å; F642-T645 PolarHBondContact O-N 2.78Å; T645-W647 HydrophobicContact CG2-CD2 3.9Å; T645-W647 HydrophobicContact CG2-CE3 4.25Å; T645-W647 HydrophobicContact CG2-CG 4.29Å; T645-W647 HydrophobicContact CG2-CH2 4.45Å; T645-W647 HydrophobicContact CG2-CZ2 4.12Å; T645-W647 PolarHBondContact O-N 2.81Å; T645-L650 HydrophobicContact CG2-CD2 4.17Å
646	D	97.1	Very high	97	Very high	95 Å²	95	60.5 Å²	60.5	51%	0.508	34%	0.34	S	S	.	.			trans	-77.1	100.5	162	-174.9	-24.6	0	0	0	109.1	S648 A649 L650	D646-S648 VanDerWaalsContact C-N 3.29Å; D646-S648 PolarHBondContact O-N 3.34Å; D646-S648 PolarHBondContact OD1-N 2.97Å; D646-A649 HydrophobicContact CB-CB 3.97Å; D646-A649 PolarHBondContact OD1-N 3.37Å; D646-L650 VanDerWaalsContact O-CB 3.24Å; D646-L650 WeakPolarHBondContact O-CB 3.27Å; D646-L650 PolarHBondContact O-N 3.34Å
647	W	97.7	Very high	97	Very high	36 Å²	36	61.8 Å²	61.8	14%	0.136	35%	0.348	C	S	.	.	H	α-helix	trans	-63.3	-31.9	-179.8	-65	95.7	0	0	0	113.4	A494 V497 R637 F642 T645 E651	A494-W647 HydrophobicContact CB-CH2 3.91Å; A494-W647 HydrophobicContact CB-CZ3 3.89Å; V497-W647 HydrophobicContact CB-CH2 4.16Å; V497-W647 HydrophobicContact CB-CZ3 4.05Å; V497-W647 HydrophobicContact CG1-CH2 3.84Å; V497-W647 HydrophobicContact CG1-CZ3 3.72Å; R637-W647 HydrophobicContact CB-CD2 4.19Å; R637-W647 HydrophobicContact CB-CH2 4.43Å; R637-W647 HydrophobicContact CB-CZ2 3.77Å; R637-W647 HydrophobicContact CG-CD2 3.84Å; R637-W647 HydrophobicContact CG-CE3 3.99Å; R637-W647 HydrophobicContact CG-CH2 3.92Å; R637-W647 HydrophobicContact CG-CZ2 3.74Å; R637-W647 HydrophobicContact CG-CZ3 4.03Å; R637-W647 PolarHBondContact O-NE1 2.92Å; F642-W647 HydrophobicContact CB-CH2 4.46Å; F642-W647 HydrophobicContact CB-CZ2 3.6Å; F642-W647 HydrophobicContact CD1-CH2 4.03Å; F642-W647 AromaticContact CD1-CZ2 4Å; F642-W647 HydrophobicContact CD1-CZ2 4Å; F642-W647 HydrophobicContact CD2-CH2 4.23Å; F642-W647 AromaticContact CD2-CZ2 3.94Å; F642-W647 HydrophobicContact CD2-CZ2 3.94Å; F642-W647 HydrophobicContact CE1-CH2 4.28Å; F642-W647 HydrophobicContact CE2-CH2 4.46Å; F642-W647 HydrophobicContact CG-CH2 4Å; F642-W647 AromaticContact CG-CZ2 3.59Å; F642-W647 HydrophobicContact CG-CZ2 3.59Å; F642-W647 HydrophobicContact CZ-CH2 4.49Å; T645-W647 HydrophobicContact CG2-CD2 3.9Å; T645-W647 HydrophobicContact CG2-CE3 4.25Å; T645-W647 HydrophobicContact CG2-CG 4.29Å; T645-W647 HydrophobicContact CG2-CH2 4.45Å; T645-W647 HydrophobicContact CG2-CZ2 4.12Å; T645-W647 PolarHBondContact O-N 2.81Å; W647-E651 WeakPolarHBondContact O-CB 3.3Å; W647-E651 VanDerWaalsContact O-CG 3.29Å; W647-E651 WeakPolarHBondContact O-CG 3.33Å; W647-E651 PolarHBondContact O-N 3.25Å
648	S	96.9	Very high	96.9	Very high	64 Å²	64	61.2 Å²	61.2	45%	0.448	35%	0.352	S	S	.	.	H	α-helix	trans	-78.1	-42.7	-177.1	-163.2	0	0	0	0	111.1	D646 L650 Q652	D646-S648 VanDerWaalsContact C-N 3.29Å; D646-S648 PolarHBondContact O-N 3.34Å; D646-S648 PolarHBondContact OD1-N 2.97Å; S648-L650 VanDerWaalsContact C-N 3.3Å; S648-Q652 WeakPolarHBondContact O-CB 3.24Å; S648-Q652 VanDerWaalsContact O-CG 3.29Å; S648-Q652 WeakPolarHBondContact O-CG 3.42Å; S648-Q652 PolarHBondContact O-N 2.8Å; S648-Q652 VanDerWaalsContact O-N 3.16Å; S648-Q652 PolarHBondContact O-NE2 3.48Å; S648-Q652 PolarHBondContact OG-NE2 2.78Å
649	A	97.4	Very high	96.9	Very high	15 Å²	15	56.1 Å²	56.1	12%	0.124	33%	0.328	C	S	.	.	H	α-helix	trans	-64.1	-37	171.6	0	0	0	0	0	111.5	D646 Q652 R653 Q654 V655	D646-A649 HydrophobicContact CB-CB 3.97Å; D646-A649 PolarHBondContact OD1-N 3.37Å; A649-Q652 PolarHBondContact O-N 2.98Å; A649-R653 PolarHBondContact O-N 3.41Å; A649-Q654 HydrophobicContact CB-CB 4.25Å; A649-Q654 WeakPolarHBondContact O-CB 3.38Å; A649-Q654 PolarHBondContact O-N 2.8Å; A649-V655 HydrophobicContact CB-CG2 3.89Å
650	L	97.1	Very high	96.7	Very high	4 Å²	4	63.2 Å²	63.2	2%	0.021	35%	0.354	C	S	.	.	H	α-helix	trans	-64.5	-52	176.2	-169.8	73	0	0	0	111.4	F448 F491 A494 E495 T645 D646 S648 Q652 R653 V655	F448-L650 HydrophobicContact CZ-CG 4.33Å; F448-L650 WeakPolarHBondContact CZ-O 3.29Å; F491-L650 HydrophobicContact CD2-CD1 4.18Å; F491-L650 HydrophobicContact CE2-CD1 3.69Å; F491-L650 HydrophobicContact CZ-CD1 4.2Å; A494-L650 HydrophobicContact CB-CD2 3.41Å; A494-L650 VanDerWaalsContact CB-CD2 3.41Å; E495-L650 HydrophobicContact CG-CD1 3.86Å; E495-L650 HydrophobicContact CG-CD2 4.15Å; E495-L650 HydrophobicContact CG-CG 4.13Å; T645-L650 HydrophobicContact CG2-CD2 4.17Å; D646-L650 VanDerWaalsContact O-CB 3.24Å; D646-L650 WeakPolarHBondContact O-CB 3.27Å; D646-L650 PolarHBondContact O-N 3.34Å; S648-L650 VanDerWaalsContact C-N 3.3Å; L650-Q652 PolarHBondContact O-N 3.49Å; L650-Q652 VanDerWaalsContact O-N 3.14Å; L650-R653 WeakPolarHBondContact O-CA 3.45Å; L650-R653 PolarHBondContact O-N 3.07Å; L650-V655 HydrophobicContact CB-CG2 4.34Å; L650-V655 HydrophobicContact CD1-CB 4.13Å; L650-V655 HydrophobicContact CD1-CG2 4.35Å
651	E	95.9	Very high	96.4	Very high	81 Å²	81	61.8 Å²	61.8	38%	0.379	34%	0.339	S	S	.	.	H	α-helix	trans	-59.2	-26.1	177.7	-75.4	172.6	163.8	0	0	113.2	C498 R637 W647	C498-E651 HydrophobicContact CB-CG 4.27Å; R637-E651 IonicContact CZ-OE1 2.64Å; R637-E651 IonicContact NH1-OE1 3.9Å; R637-E651 PolarHBondContact NH1-OE1 2.04Å; R637-E651 IonicContact NH1-OE2 2.7Å; R637-E651 IonicContact NH2-OE1 2.66Å; R637-E651 PolarHBondContact NH2-OE1 3.13Å; W647-E651 WeakPolarHBondContact O-CB 3.3Å; W647-E651 VanDerWaalsContact O-CG 3.29Å; W647-E651 WeakPolarHBondContact O-CG 3.33Å; W647-E651 PolarHBondContact O-N 3.25Å
652	Q	95.6	Very high	95.9	Very high	114 Å²	114	67.1 Å²	67.1	53%	0.533	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	4.1	173.8	-66.2	173.6	55	0	0	114	S648 A649 L650 Q654	S648-Q652 WeakPolarHBondContact O-CB 3.24Å; S648-Q652 VanDerWaalsContact O-CG 3.29Å; S648-Q652 WeakPolarHBondContact O-CG 3.42Å; S648-Q652 PolarHBondContact O-N 2.8Å; S648-Q652 VanDerWaalsContact O-N 3.16Å; S648-Q652 PolarHBondContact O-NE2 3.48Å; S648-Q652 PolarHBondContact OG-NE2 2.78Å; A649-Q652 PolarHBondContact O-N 2.98Å; L650-Q652 PolarHBondContact O-N 3.49Å; L650-Q652 VanDerWaalsContact O-N 3.14Å; Q652-Q654 HydrophobicContact CB-CG 4.03Å; Q652-Q654 PolarHBondContact O-N 2.8Å
653	R	96.5	Very high	95.6	Very high	71 Å²	71	69.3 Å²	69.3	27%	0.268	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	36.3	-174.2	-70.8	-178	54.3	154.9	-4.8	114.3	P447 F448 D521 D523 H525 A649 L650	P447-R653 HydrophobicContact CB-CG 4.18Å; F448-R653 HydrophobicContact CE1-CG 4Å; F448-R653 HydrophobicContact CZ-CG 4.26Å; D521-R653 IonicContact OD1-NH2 3.5Å; D521-R653 IonicContact OD2-CZ 3.49Å; D521-R653 IonicContact OD2-NH1 3.39Å; D521-R653 PolarHBondContact OD2-NH1 3.06Å; D521-R653 IonicContact OD2-NH2 3.88Å; D521-R653 PolarHBondContact OD2-NH2 2.9Å; D523-R653 IonicContact OD2-NH2 3.92Å; H525-R653 VanDerWaalsContact CD2-CZ 3.4Å; H525-R653 PolarHBondContact CD2-NE 3.36Å; H525-R653 PolarHBondContact CD2-NH2 2.82Å; A649-R653 PolarHBondContact O-N 3.41Å; L650-R653 WeakPolarHBondContact O-CA 3.45Å; L650-R653 PolarHBondContact O-N 3.07Å
654	Q	96.9	Very high	95.3	Very high	131 Å²	131	70.2 Å²	70.2	61%	0.612	39%	0.385	S	S	*	.			trans	-91.1	-15.4	176.6	-66.6	170.1	11.1	0	0	112.9	A649 Q652	A649-Q654 HydrophobicContact CB-CB 4.25Å; A649-Q654 WeakPolarHBondContact O-CB 3.38Å; A649-Q654 PolarHBondContact O-N 2.8Å; Q652-Q654 HydrophobicContact CB-CG 4.03Å; Q652-Q654 PolarHBondContact O-N 2.8Å
655	V	96.5	Very high	95.1	Very high	49 Å²	49	67.2 Å²	67.2	30%	0.297	36%	0.364	S	S	.	.	S	Bend	trans	-84.1	121.3	172.6	-172.6	0	0	0	0	109.1	F491 H525 A649 L650	F491-V655 HydrophobicContact CD2-CG1 4.18Å; F491-V655 HydrophobicContact CE2-CB 4.13Å; F491-V655 HydrophobicContact CE2-CG1 3.78Å; H525-V655 PolarHBondContact CE1-O 2.9Å; A649-V655 HydrophobicContact CB-CG2 3.89Å; L650-V655 HydrophobicContact CB-CG2 4.34Å; L650-V655 HydrophobicContact CD1-CB 4.13Å; L650-V655 HydrophobicContact CD1-CG2 4.35Å
656	A	96.4	Very high	94.7	Very high	80 Å²	80	70.7 Å²	70.7	66%	0.661	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-67.8	134.9	-179.8	0	0	0	0	0	111.8
657	P	97.3	Very high	94.3	Very high	29 Å²	29	68.3 Å²	68.3	19%	0.188	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-62.5	139.7	176.3	-27.6	37.5	0	0	0	113.3	F491 D523 H525 F659	F491-P657 HydrophobicContact CE1-CB 4Å; F491-P657 HydrophobicContact CE1-CG 4.22Å; F491-P657 HydrophobicContact CZ-CB 4.11Å; F491-P657 HydrophobicContact CZ-CG 4Å; D523-P657 WeakPolarHBondContact O-CG 3.49Å; H525-P657 WeakPolarHBondContact CD2-CG 3.46Å; H525-P657 WeakPolarHBondContact NE2-CD 3.47Å; H525-P657 WeakPolarHBondContact NE2-CG 3.24Å; P657-F659 PolarHBondContact O-N 2.86Å
658	P	96.3	Very high	94	Very high	49 Å²	49	67.3 Å²	67.3	32%	0.318	38%	0.375	S	S	.	.	S	Bend	trans	-74.4	-11.4	178.9	28.8	-33.3	0	0	0	113.5	R488 F491	R488-P658 HydrophobicContact CB-CG 4.09Å; R488-P658 HydrophobicContact CG-CG 4.26Å; F491-P658 HydrophobicContact CB-CG 3.84Å; F491-P658 HydrophobicContact CD1-CG 4.06Å; F491-P658 VanDerWaalsContact CG-CD 3.45Å; F491-P658 HydrophobicContact CG-CG 3.95Å
659	F	95.9	Very high	93.7	Very high	60 Å²	60	65.2 Å²	65.2	26%	0.263	36%	0.36	S	S	.	.			trans	-141.2	128.9	173.9	168.7	-91.3	0	0	0	109.1	H477 R488 L520 G524 P657 P661	H477-F659 AromaticContact CE1-CE1 3.44Å; H477-F659 VanDerWaalsContact CE1-CE1 3.44Å; H477-F659 WeakPolarHBondContact CE1-CE1 3.22Å; H477-F659 AromaticContact CE1-CZ 3.54Å; H477-F659 AromaticContact ND1-CE1 3.59Å; H477-F659 AromaticContact ND1-CZ 3.54Å; R488-F659 VanDerWaalsContact CZ-CG 3.46Å; L520-F659 HydrophobicContact CD1-CD1 4.06Å; L520-F659 HydrophobicContact CD1-CE1 4.05Å; G524-F659 WeakPolarHBondContact CA-O 3.22Å; P657-F659 PolarHBondContact O-N 2.86Å; F659-P661 HydrophobicContact CE1-CB 4.36Å; F659-P661 HydrophobicContact CE1-CG 3.98Å
660	R	94.9	Very high	93.2	Very high	161 Å²	161	67.6 Å²	67.6	61%	0.608	38%	0.376	S	S	*	.			trans	-111.2	126.9	172.5	-170.9	175.2	-163.9	178.8	11.6	109.6	S522 D523	S522-R660 PolarHBondContact O-NE 2.83Å; D523-R660 IonicContact OD1-CZ 2.78Å; D523-R660 IonicContact OD1-NE 3.54Å; D523-R660 IonicContact OD1-NH2 3.52Å; D523-R660 PolarHBondContact OD1-NH2 2.84Å
661	P	91.9	Very high	92.8	Very high	7 Å²	7	68.2 Å²	68.2	5%	0.045	38%	0.379	C	S	.	.			trans	-59.7	138.3	175.4	-23.2	33.1	0	0	0	112.2	L520 F659 L663	L520-P661 HydrophobicContact CB-CG 4.22Å; L520-P661 HydrophobicContact CD1-CG 4.23Å; F659-P661 HydrophobicContact CE1-CB 4.36Å; F659-P661 HydrophobicContact CE1-CG 3.98Å; P661-L663 HydrophobicContact CB-CG 4.38Å; P661-L663 PolarHBondContact O-N 2.8Å
662	T	88.9	Confident	92.3	Very high	121 Å²	121	65.8 Å²	65.8	74%	0.742	37%	0.367	S	S	*	.			trans	-76.3	122	171.6	-54.7	0	0	0	0	109.1
663	L	90.6	Very high	91.7	Very high	50 Å²	50	64.5 Å²	64.5	26%	0.262	36%	0.364	S	S	.	.			trans	-133.1	132.5	-176.7	-64.2	169	0	0	0	110.2	N470 P661 D668 N671	N470-L663 HydrophobicContact CB-CD2 4.15Å; N470-L663 WeakPolarHBondContact O-CD2 3.4Å; N470-L663 WeakPolarHBondContact OD1-CD1 3.42Å; P661-L663 HydrophobicContact CB-CG 4.38Å; P661-L663 PolarHBondContact O-N 2.8Å; L663-D668 HydrophobicContact CD2-CB 4.23Å; L663-N671 WeakPolarHBondContact CD2-ND2 2.84Å
664	T	89.9	Confident	91.1	Very high	123 Å²	123	68.9 Å²	68.9	76%	0.755	39%	0.385	S	S	*	.	S	Bend	trans	-88.9	-24.4	177.8	62.6	0	0	0	0	113.1	D668	T664-D668 WeakPolarHBondContact CB-OD2 3.13Å; T664-D668 PolarHBondContact N-OD2 2.83Å; T664-D668 VanDerWaalsContact OG1-CG 3.27Å; T664-D668 PolarHBondContact OG1-OD2 2.88Å
665	S	90.7	Very high	90.4	Very high	42 Å²	42	69.6 Å²	69.6	29%	0.294	39%	0.388	S	S	.	.	S	Bend	trans	-161.6	164.1	-177.7	63.3	0	0	0	0	112.6	S667 D668	S665-S667 PolarHBondContact O-N 3.48Å; S665-S667 PolarHBondContact OG-OG 2.76Å; S665-D668 VanDerWaalsContact O-CB 3.23Å; S665-D668 WeakPolarHBondContact O-CB 3.35Å; S665-D668 PolarHBondContact O-N 2.86Å; S665-D668 VanDerWaalsContact O-N 3.11Å; S665-D668 PolarHBondContact OG-N 3.34Å
666	P	88.1	Confident	89.9	Confident	102 Å²	102	69.8 Å²	69.8	66%	0.662	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.3	173.8	-24.2	35.6	0	0	0	114.8	Y468	Y468-P666 WeakPolarHBondContact CD1-O 3.11Å; Y468-P666 WeakPolarHBondContact CE1-O 3.13Å
667	S	89.7	Confident	89.5	Confident	45 Å²	45	67 Å²	67	32%	0.315	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	11.6	177.2	53.3	0	0	0	0	113.3	S665 C669	S665-S667 PolarHBondContact O-N 3.48Å; S665-S667 PolarHBondContact OG-OG 2.76Å; S667-C669 PolarHBondContact O-N 2.87Å
668	D	91	Very high	89	Confident	16 Å²	16	71.5 Å²	71.5	9%	0.086	38%	0.382	C	S	.	.			trans	-63.7	132	-176.6	-164.4	-18.9	0	0	0	111.7	Y468 L663 T664 S665 S670	Y468-D668 PolarHBondContact OH-O 2.82Å; L663-D668 HydrophobicContact CD2-CB 4.23Å; T664-D668 WeakPolarHBondContact CB-OD2 3.13Å; T664-D668 PolarHBondContact N-OD2 2.83Å; T664-D668 VanDerWaalsContact OG1-CG 3.27Å; T664-D668 PolarHBondContact OG1-OD2 2.88Å; S665-D668 VanDerWaalsContact O-CB 3.23Å; S665-D668 WeakPolarHBondContact O-CB 3.35Å; S665-D668 PolarHBondContact O-N 2.86Å; S665-D668 VanDerWaalsContact O-N 3.11Å; S665-D668 PolarHBondContact OG-N 3.34Å; D668-S670 VanDerWaalsContact CG-OG 3.29Å; D668-S670 WeakPolarHBondContact OD1-CB 3.17Å; D668-S670 PolarHBondContact OD1-N 2.8Å; D668-S670 PolarHBondContact OD1-OG 2.89Å; D668-S670 PolarHBondContact OD2-OG 2.82Å
669	C	89.4	Confident	88.6	Confident	20 Å²	20	72.3 Å²	72.3	14%	0.135	38%	0.381	C	S	.	.			trans	-113.4	12.1	179.2	-72.2	0	0	0	0	113.2	Y468 S667 N671 F672 I677	Y468-C669 PolarHBondContact OH-SG 3.07Å; Y468-C669 VanDerWaalsContact OH-SG 3.33Å; S667-C669 PolarHBondContact O-N 2.87Å; C669-N671 PolarHBondContact O-N 2.92Å; C669-F672 HydrophobicContact CB-CD2 4.23Å; C669-F672 PolarHBondContact O-N 3.38Å; C669-I677 HydrophobicContact CB-CD1 3.54Å; C669-I677 HydrophobicContact CB-CG1 4.08Å; C669-I677 HydrophobicContact CB-CG2 4.32Å
670	S	88.3	Confident	88.3	Confident	64 Å²	64	77 Å²	77	45%	0.448	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.2	-175.7	51.6	0	0	0	0	114.5	D668 F672	D668-S670 VanDerWaalsContact CG-OG 3.29Å; D668-S670 WeakPolarHBondContact OD1-CB 3.17Å; D668-S670 PolarHBondContact OD1-N 2.8Å; D668-S670 PolarHBondContact OD1-OG 2.89Å; D668-S670 PolarHBondContact OD2-OG 2.82Å; S670-F672 VanDerWaalsContact C-N 3.33Å
671	N	87.3	Confident	88.1	Confident	18 Å²	18	71.3 Å²	71.3	10%	0.096	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	19.2	179.8	-53.6	-50.7	0	0	0	113.8	N470 G472 F476 L663 C669	N470-N671 PolarHBondContact O-ND2 2.83Å; G472-N671 WeakPolarHBondContact CA-O 3.15Å; F476-N671 HydrophobicContact CD1-CB 4.31Å; F476-N671 HydrophobicContact CE1-CB 3.96Å; L663-N671 WeakPolarHBondContact CD2-ND2 2.84Å; C669-N671 PolarHBondContact O-N 2.92Å
672	F	86.3	Confident	87.9	Confident	29 Å²	29	77.8 Å²	77.8	13%	0.127	41%	0.413	C	S	.	.	S	Bend	trans	-118.6	158.6	176.9	-65.7	-95.6	0	0	0	111.1	L394 Y468 L469 C669 S670 K674 I677	L394-F672 HydrophobicContact CB-CD1 4.06Å; L394-F672 HydrophobicContact CB-CE1 3.97Å; L394-F672 HydrophobicContact CD1-CE1 4.29Å; L394-F672 HydrophobicContact CD1-CZ 4.36Å; L394-F672 HydrophobicContact CD2-CD1 3.95Å; L394-F672 HydrophobicContact CD2-CD2 4.17Å; L394-F672 HydrophobicContact CD2-CE1 3.84Å; L394-F672 HydrophobicContact CD2-CE2 4.05Å; L394-F672 HydrophobicContact CD2-CG 4.12Å; L394-F672 HydrophobicContact CD2-CZ 3.87Å; L394-F672 HydrophobicContact CG-CE1 4.24Å; Y468-F672 HydrophobicContact CE2-CE2 4.03Å; Y468-F672 AromaticContact CE2-CZ 3.76Å; Y468-F672 HydrophobicContact CE2-CZ 3.76Å; Y468-F672 WeakPolarHBondContact OH-CE2 3.47Å; L469-F672 WeakPolarHBondContact O-CZ 3.29Å; C669-F672 HydrophobicContact CB-CD2 4.23Å; C669-F672 PolarHBondContact O-N 3.38Å; S670-F672 VanDerWaalsContact C-N 3.33Å; F672-K674 PolarHBondContact O-N 3.27Å; F672-I677 HydrophobicContact CB-CD1 3.87Å; F672-I677 HydrophobicContact CB-CG1 3.81Å; F672-I677 HydrophobicContact CG-CD1 4.38Å
673	D	82.6	Confident	87.7	Confident	87 Å²	87	74.9 Å²	74.9	47%	0.465	39%	0.393	S	S	.	.			trans	-61.1	128.4	177.4	-161.7	-42.1	0	0	0	111.7	E675 F676 I677	D673-E675 PolarHBondContact O-N 3.26Å; D673-E675 PolarHBondContact OD1-N 3.41Å; D673-F676 HydrophobicContact CB-CD2 3.71Å; D673-F676 HydrophobicContact CB-CE2 3.95Å; D673-F676 PolarHBondContact O-N 2.93Å; D673-I677 WeakPolarHBondContact O-CG1 3.07Å; D673-I677 PolarHBondContact O-N 3.05Å; D673-I677 VanDerWaalsContact O-N 3.11Å
674	K	83.6	Confident	87.1	Confident	163 Å²	163	75.1 Å²	75.1	71%	0.709	40%	0.398	S	S	*	.	H	α-helix	trans	-62.2	-26.4	179.5	-65.6	176.1	-177.3	171.9	0	112.3	F672 N678	F672-K674 PolarHBondContact O-N 3.27Å; K674-N678 VanDerWaalsContact O-CB 3.26Å; K674-N678 WeakPolarHBondContact O-CB 3.05Å; K674-N678 PolarHBondContact O-N 3.03Å; K674-N678 VanDerWaalsContact O-N 3.13Å; K674-N678 PolarHBondContact O-ND2 2.86Å
675	E	82.6	Confident	86	Confident	146 Å²	146	74.9 Å²	74.9	68%	0.682	40%	0.4	S	S	*	.	H	α-helix	trans	-60.3	-49	174.2	-169.3	178.5	155.1	0	0	110.7	D673 N678 E679	D673-E675 PolarHBondContact O-N 3.26Å; D673-E675 PolarHBondContact OD1-N 3.41Å; E675-N678 PolarHBondContact O-N 2.91Å; E675-E679 PolarHBondContact O-N 3.13Å
676	F	85.4	Confident	84.6	Confident	54 Å²	54	73.5 Å²	73.5	24%	0.237	39%	0.391	C	S	.	.	H	α-helix	trans	-71.2	-43.7	179.8	-52.4	-45.9	0	0	0	112.2	M393 K396 D673 N678 E679	M393-F676 CarbonylContact O-C 3.6Å; M393-F676 WeakPolarHBondContact O-CB 3.33Å; M393-F676 VanDerWaalsContact O-O 3.08Å; K396-F676 HydrophobicContact CB-CD1 4.39Å; K396-F676 HydrophobicContact CB-CE1 4.15Å; D673-F676 HydrophobicContact CB-CD2 3.71Å; D673-F676 HydrophobicContact CB-CE2 3.95Å; D673-F676 PolarHBondContact O-N 2.93Å; F676-N678 PolarHBondContact O-N 3.33Å; F676-N678 VanDerWaalsContact O-N 3.13Å; F676-E679 PolarHBondContact O-N 3.28Å
677	I	88.4	Confident	83.5	Confident	22 Å²	22	72 Å²	72	11%	0.113	38%	0.378	C	S	.	.	H	α-helix	trans	-63.3	-21.8	179.9	-61.9	-56.8	0	0	0	112.6	K392 M393 L394 C669 F672 D673	K392-I677 HydrophobicContact CB-CD1 4.25Å; K392-I677 HydrophobicContact CD-CG2 4.07Å; K392-I677 WeakPolarHBondContact CD-O 3.38Å; K392-I677 PolarHBondContact NZ-O 3.47Å; M393-I677 PolarHBondContact O-N 3.3Å; L394-I677 HydrophobicContact CD2-CD1 3.98Å; C669-I677 HydrophobicContact CB-CD1 3.54Å; C669-I677 HydrophobicContact CB-CG1 4.08Å; C669-I677 HydrophobicContact CB-CG2 4.32Å; F672-I677 HydrophobicContact CB-CD1 3.87Å; F672-I677 HydrophobicContact CB-CG1 3.81Å; F672-I677 HydrophobicContact CG-CD1 4.38Å; D673-I677 WeakPolarHBondContact O-CG1 3.07Å; D673-I677 PolarHBondContact O-N 3.05Å; D673-I677 VanDerWaalsContact O-N 3.11Å
678	N	87.5	Confident	82.2	Confident	123 Å²	123	79 Å²	79	66%	0.658	40%	0.397	S	S	*	.	H	α-helix	trans	-91.1	-18.7	173.6	-68.9	-32	0	0	0	113.8	K674 E675 F676	K674-N678 VanDerWaalsContact O-CB 3.26Å; K674-N678 WeakPolarHBondContact O-CB 3.05Å; K674-N678 PolarHBondContact O-N 3.03Å; K674-N678 VanDerWaalsContact O-N 3.13Å; K674-N678 PolarHBondContact O-ND2 2.86Å; E675-N678 PolarHBondContact O-N 2.91Å; F676-N678 PolarHBondContact O-N 3.33Å; F676-N678 VanDerWaalsContact O-N 3.13Å
679	E	88.6	Confident	80.8	Confident	65 Å²	65	82.5 Å²	82.5	30%	0.304	42%	0.419	S	S	.	.	S	Bend	trans	-67.6	135.4	172	-162.1	-176.1	145.2	0	0	110.1	M393 K401 E675 F676	M393-E679 HydrophobicContact CE-CB 3.9Å; M393-E679 HydrophobicContact CE-CG 3.64Å; M393-E679 VanDerWaalsContact CE-OE1 3.28Å; M393-E679 WeakPolarHBondContact CE-OE1 3.25Å; M393-E679 HydrophobicContact SD-CB 4.22Å; M393-E679 HydrophobicContact SD-CG 4.27Å; K401-E679 WeakPolarHBondContact CE-OE1 3.38Å; K401-E679 IonicContact NZ-OE1 2.69Å; K401-E679 PolarHBondContact NZ-OE1 3.3Å; E675-E679 PolarHBondContact O-N 3.13Å; F676-E679 PolarHBondContact O-N 3.28Å
680	K	88.6	Confident	79.2	Confident	160 Å²	160	82.2 Å²	82.2	70%	0.696	42%	0.416	S	S	*	.			trans	-63.9	134	179.1	-69	-177.5	179.3	177.1	0	110.1	M393 K682	M393-K680 VanDerWaalsContact CE-O 3.29Å; M393-K680 WeakPolarHBondContact CE-O 3.19Å; K680-K682 HydrophobicContact CB-CG 4.49Å; K680-K682 PolarHBondContact O-N 2.59Å
681	P	90.3	Very high	78	Confident	41 Å²	41	79.9 Å²	79.9	27%	0.266	40%	0.398	S	S	.	.			trans	-73.2	75.6	-177.6	32.4	-38.5	0	0	0	111.2	L390 F403	L390-P681 HydrophobicContact CB-CB 4.1Å; L390-P681 WeakPolarHBondContact O-CG 3.36Å; F403-P681 HydrophobicContact CD1-CB 3.97Å; F403-P681 HydrophobicContact CE1-CB 4.3Å
682	K	87.6	Confident	77	Confident	143 Å²	143	85.8 Å²	85.8	62%	0.622	43%	0.43	S	S	*	.			trans	-120	133	178.8	-68.1	-168.8	174.5	-169.2	0	111.1	K401 K680	K401-K682 PolarHBondContact NZ-O 2.84Å; K680-K682 HydrophobicContact CB-CG 4.49Å; K680-K682 PolarHBondContact O-N 2.59Å
683	L	86	Confident	76	Confident	60 Å²	60	86.5 Å²	86.5	31%	0.314	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-62	133.8	162	-65	177.3	0	0	0	109	I385 F403 A418 F463	I385-L683 HydrophobicContact CG1-CD1 4.22Å; F403-L683 HydrophobicContact CE2-CD2 3.71Å; F403-L683 HydrophobicContact CZ-CD2 4.05Å; A418-L683 HydrophobicContact CB-CD2 3.69Å; F463-L683 HydrophobicContact CE1-CD1 4.05Å; F463-L683 HydrophobicContact CE1-CD2 4.02Å; F463-L683 HydrophobicContact CZ-CD1 3.92Å; F463-L683 HydrophobicContact CZ-CD2 4.5Å
684	S	76.4	Confident	75.1	Confident	54 Å²	54	83.2 Å²	83.2	38%	0.378	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-79	129.7	175.5	-61.8	0	0	0	0	109.4	K420 A686	K420-S684 WeakPolarHBondContact CE-O 3.46Å; S684-A686 PolarHBondContact O-N 2.83Å
685	C	67.3	Low	74.5	Confident	119 Å²	119	79.5 Å²	79.5	80%	0.804	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-53	138.2	175.5	-55.6	0	0	0	0	111.2	K420	K420-C685 PolarHBondContact NZ-O 3.46Å
686	A	62	Low	74.2	Confident	12 Å²	12	75.9 Å²	75.9	10%	0.099	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-97.1	157.5	169	0	0	0	0	0	110.4	E460 S684 R688 I691	E460-A686 HydrophobicContact CB-CB 4.15Å; S684-A686 PolarHBondContact O-N 2.83Å; A686-R688 PolarHBondContact O-N 3.49Å; A686-I691 HydrophobicContact CB-CD1 3.75Å; A686-I691 HydrophobicContact CB-CG1 4.19Å
687	D	63.6	Low	74	Confident	71 Å²	71	77.8 Å²	77.8	38%	0.38	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-76.4	120	-177.7	172.4	-8	0	0	0	110	T689 L690 I691	D687-T689 VanDerWaalsContact C-N 3.26Å; D687-T689 VanDerWaalsContact CG-OG1 3.3Å; D687-T689 PolarHBondContact O-N 3.41Å; D687-T689 WeakPolarHBondContact OD1-CB 3.03Å; D687-T689 PolarHBondContact OD1-N 3.47Å; D687-T689 PolarHBondContact OD1-OG1 2.91Å; D687-T689 PolarHBondContact OD2-OG1 2.99Å; D687-L690 HydrophobicContact CB-CB 3.91Å; D687-L690 HydrophobicContact CB-CD1 3.87Å; D687-L690 HydrophobicContact CB-CG 4.44Å; D687-L690 WeakPolarHBondContact O-CA 3.48Å; D687-L690 WeakPolarHBondContact O-CB 3.28Å; D687-L690 PolarHBondContact O-N 2.83Å; D687-L690 VanDerWaalsContact O-N 3.11Å; D687-I691 WeakPolarHBondContact O-CD1 3.06Å; D687-I691 VanDerWaalsContact O-CG1 3.32Å; D687-I691 WeakPolarHBondContact O-CG1 3.42Å; D687-I691 PolarHBondContact O-N 2.93Å
688	R	63.6	Low	73.6	Confident	193 Å²	193	80.9 Å²	80.9	73%	0.728	42%	0.424	S	S	*	.	H	α-helix	trans	-63.1	-28.6	-176.9	-71.5	-179.3	169.4	-179.3	-2.9	113.4	A686 N692	A686-R688 PolarHBondContact O-N 3.49Å; R688-N692 VanDerWaalsContact O-CG 3.3Å; R688-N692 PolarHBondContact O-N 2.85Å; R688-N692 PolarHBondContact O-ND2 3.47Å
689	T	60.9	Low	73.6	Confident	89 Å²	89	75 Å²	75	55%	0.546	39%	0.393	S	S	.	.	H	α-helix	trans	-71.1	-40.4	175.1	69.8	0	0	0	0	110.5	D687 S693	D687-T689 VanDerWaalsContact C-N 3.26Å; D687-T689 VanDerWaalsContact CG-OG1 3.3Å; D687-T689 PolarHBondContact O-N 3.41Å; D687-T689 WeakPolarHBondContact OD1-CB 3.03Å; D687-T689 PolarHBondContact OD1-N 3.47Å; D687-T689 PolarHBondContact OD1-OG1 2.91Å; D687-T689 PolarHBondContact OD2-OG1 2.99Å; T689-S693 PolarHBondContact O-N 3.4Å
690	L	57.3	Low	73.4	Confident	14 Å²	14	80.9 Å²	80.9	7%	0.073	41%	0.412	C	S	.	.	H	α-helix	trans	-58	-58.2	171.8	-109.3	157.5	0	0	0	111.3	L189 D422 M426 D687 N692 S693 V694	L189-L690 HydrophobicContact CB-CD1 4.03Å; L189-L690 HydrophobicContact CB-CD2 3.37Å; L189-L690 HydrophobicContact CB-CG 3.4Å; L189-L690 VanDerWaalsContact CB-CG 3.4Å; L189-L690 HydrophobicContact CD1-CB 4.3Å; L189-L690 HydrophobicContact CD1-CD2 4.29Å; L189-L690 HydrophobicContact CD1-CG 3.82Å; L189-L690 HydrophobicContact CD2-CG 4.33Å; L189-L690 HydrophobicContact CG-CD2 4.38Å; L189-L690 HydrophobicContact CG-CG 4.01Å; D422-L690 HydrophobicContact CB-CB 4.25Å; D422-L690 HydrophobicContact CB-CD1 4.07Å; D422-L690 HydrophobicContact CB-CD2 3.84Å; D422-L690 HydrophobicContact CB-CG 4.26Å; M426-L690 HydrophobicContact CE-CD1 3.61Å; M426-L690 HydrophobicContact CE-CD2 4.44Å; D687-L690 HydrophobicContact CB-CB 3.91Å; D687-L690 HydrophobicContact CB-CD1 3.87Å; D687-L690 HydrophobicContact CB-CG 4.44Å; D687-L690 WeakPolarHBondContact O-CA 3.48Å; D687-L690 WeakPolarHBondContact O-CB 3.28Å; D687-L690 PolarHBondContact O-N 2.83Å; D687-L690 VanDerWaalsContact O-N 3.11Å; L690-N692 PolarHBondContact O-N 3.07Å; L690-N692 VanDerWaalsContact O-N 3.15Å; L690-S693 CarbonylContact O-C 3.57Å; L690-S693 WeakPolarHBondContact O-CA 3.48Å; L690-S693 PolarHBondContact O-N 2.67Å; L690-S693 PolarHBondContact O-OG 3Å; L690-V694 WeakPolarHBondContact O-CG2 3.37Å; L690-V694 PolarHBondContact O-N 3.17Å
691	I	62.4	Low	73.3	Confident	14 Å²	14	79.4 Å²	79.4	7%	0.072	41%	0.412	C	S	.	.	H	α-helix	trans	-53.6	-38.7	-176.9	-65.9	152.4	0	0	0	112.6	K459 E460 A686 D687 S693 V694	K459-I691 HydrophobicContact CB-CG2 4.12Å; E460-I691 HydrophobicContact CB-CD1 4.08Å; E460-I691 HydrophobicContact CB-CG1 4.4Å; E460-I691 VanDerWaalsContact CD-CD1 3.42Å; E460-I691 HydrophobicContact CG-CD1 3.45Å; E460-I691 VanDerWaalsContact CG-CD1 3.45Å; E460-I691 HydrophobicContact CG-CG1 4.09Å; E460-I691 HydrophobicContact CG-CG2 4.45Å; E460-I691 WeakPolarHBondContact OE1-CD1 3.41Å; A686-I691 HydrophobicContact CB-CD1 3.75Å; A686-I691 HydrophobicContact CB-CG1 4.19Å; D687-I691 WeakPolarHBondContact O-CD1 3.06Å; D687-I691 VanDerWaalsContact O-CG1 3.32Å; D687-I691 WeakPolarHBondContact O-CG1 3.42Å; D687-I691 PolarHBondContact O-N 2.93Å; I691-S693 VanDerWaalsContact C-N 3.31Å; I691-S693 PolarHBondContact O-N 3.45Å; I691-V694 PolarHBondContact O-N 2.99Å
692	N	66.3	Low	73.5	Confident	143 Å²	143	77.5 Å²	77.5	77%	0.765	40%	0.399	S	S	*	.	H	α-helix	trans	-73.8	-21.2	179.2	-70.6	-20	0	0	0	113.4	R688 L690	R688-N692 VanDerWaalsContact O-CG 3.3Å; R688-N692 PolarHBondContact O-N 2.85Å; R688-N692 PolarHBondContact O-ND2 3.47Å; L690-N692 PolarHBondContact O-N 3.07Å; L690-N692 VanDerWaalsContact O-N 3.15Å
693	S	63.9	Low	73.7	Confident	44 Å²	44	74.1 Å²	74.1	31%	0.308	39%	0.394	S	S	.	.	H	α-helix	trans	-91.2	-13.4	173.6	73.5	0	0	0	0	114.1	T689 L690 I691 D695	T689-S693 PolarHBondContact O-N 3.4Å; L690-S693 CarbonylContact O-C 3.57Å; L690-S693 WeakPolarHBondContact O-CA 3.48Å; L690-S693 PolarHBondContact O-N 2.67Å; L690-S693 PolarHBondContact O-OG 3Å; I691-S693 VanDerWaalsContact C-N 3.31Å; I691-S693 PolarHBondContact O-N 3.45Å; S693-D695 PolarHBondContact O-N 3.22Å
694	V	64.1	Low	74	Confident	17 Å²	17	74 Å²	74	10%	0.103	39%	0.391	C	S	.	.	S	Bend	trans	-68.5	123.8	179.1	165.3	0	0	0	0	110.4	L425 L690 I691 Q696 F699	L425-V694 HydrophobicContact CD1-CB 4.05Å; L425-V694 HydrophobicContact CD1-CG1 3.45Å; L425-V694 VanDerWaalsContact CD1-CG1 3.45Å; L425-V694 HydrophobicContact CD1-CG2 3.57Å; L690-V694 WeakPolarHBondContact O-CG2 3.37Å; L690-V694 PolarHBondContact O-N 3.17Å; I691-V694 PolarHBondContact O-N 2.99Å; V694-Q696 PolarHBondContact O-N 2.96Å; V694-F699 HydrophobicContact CG1-CE2 4.5Å
695	D	71.9	Confident	74.7	Confident	86 Å²	86	72.7 Å²	72.7	46%	0.46	38%	0.38	S	S	.	.			trans	-67.1	100.5	165.3	-174.5	-10.5	0	0	0	109.8	S693 T697 M698	S693-D695 PolarHBondContact O-N 3.22Å; D695-T697 VanDerWaalsContact CG-OG1 3.28Å; D695-T697 PolarHBondContact O-N 3.19Å; D695-T697 VanDerWaalsContact OD1-CB 3.28Å; D695-T697 WeakPolarHBondContact OD1-CB 3.46Å; D695-T697 WeakPolarHBondContact OD1-CG2 3.44Å; D695-T697 PolarHBondContact OD1-N 2.94Å; D695-T697 PolarHBondContact OD1-OG1 3.08Å; D695-T697 PolarHBondContact OD2-OG1 2.9Å; D695-M698 HydrophobicContact CB-CG 3.98Å; D695-M698 WeakPolarHBondContact O-CB 3.3Å; D695-M698 WeakPolarHBondContact O-CG 3.41Å; D695-M698 PolarHBondContact O-N 3.44Å
696	Q	76.2	Confident	75.7	Confident	69 Å²	69	67.6 Å²	67.6	32%	0.322	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-66.1	-14.8	-179.6	-62.1	-69	-29.8	0	0	112.6	K459 V694 M698 F699	K459-Q696 PolarHBondContact O-NE2 3.21Å; K459-Q696 VanDerWaalsContact O-NE2 3.15Å; V694-Q696 PolarHBondContact O-N 2.96Å; Q696-M698 VanDerWaalsContact C-N 3.28Å; Q696-M698 PolarHBondContact O-N 3.44Å; Q696-F699 PolarHBondContact O-N 2.98Å
697	T	81.3	Confident	76.6	Confident	95 Å²	95	71.3 Å²	71.3	58%	0.583	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-73.1	-20.7	177.3	74.2	0	0	0	0	112.9	D695 F699 R700	D695-T697 VanDerWaalsContact CG-OG1 3.28Å; D695-T697 PolarHBondContact O-N 3.19Å; D695-T697 VanDerWaalsContact OD1-CB 3.28Å; D695-T697 WeakPolarHBondContact OD1-CB 3.46Å; D695-T697 WeakPolarHBondContact OD1-CG2 3.44Å; D695-T697 PolarHBondContact OD1-N 2.94Å; D695-T697 PolarHBondContact OD1-OG1 3.08Å; D695-T697 PolarHBondContact OD2-OG1 2.9Å; T697-F699 PolarHBondContact O-N 3.41Å; T697-F699 VanDerWaalsContact O-N 3.15Å; T697-R700 WeakPolarHBondContact O-CB 3.3Å; T697-R700 PolarHBondContact O-N 3.1Å
698	M	79.1	Confident	77.2	Confident	87 Å²	87	68.8 Å²	68.8	43%	0.429	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-58.9	-24.9	174.9	-64.3	-67.5	-67.5	0	0	113.3	V430 D695 Q696	V430-M698 HydrophobicContact CB-CE 4.49Å; V430-M698 HydrophobicContact CG1-CB 4.34Å; V430-M698 HydrophobicContact CG1-CE 4.28Å; V430-M698 WeakPolarHBondContact CG1-O 3.22Å; V430-M698 HydrophobicContact CG2-CE 4.26Å; D695-M698 HydrophobicContact CB-CG 3.98Å; D695-M698 WeakPolarHBondContact O-CB 3.3Å; D695-M698 WeakPolarHBondContact O-CG 3.41Å; D695-M698 PolarHBondContact O-N 3.44Å; Q696-M698 VanDerWaalsContact C-N 3.28Å; Q696-M698 PolarHBondContact O-N 3.44Å
699	F	88.1	Confident	78.1	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-108.2	21.3	177.7	-54.9	-70.1	0	0	0	112.7	K421 V424 L425 V430 Q457 L462 V694 Q696 T697 F702	K421-F699 HydrophobicContact CB-CE2 3.88Å; K421-F699 HydrophobicContact CB-CZ 4.33Å; K421-F699 HydrophobicContact CD-CD2 3.85Å; K421-F699 HydrophobicContact CD-CE2 3.98Å; K421-F699 HydrophobicContact CG-CD2 3.97Å; K421-F699 HydrophobicContact CG-CE2 3.68Å; K421-F699 HydrophobicContact CG-CZ 4.19Å; V424-F699 HydrophobicContact CB-CZ 4.47Å; V424-F699 HydrophobicContact CG1-CE1 3.94Å; V424-F699 HydrophobicContact CG1-CZ 4.05Å; L425-F699 HydrophobicContact CD1-CE2 3.99Å; L425-F699 HydrophobicContact CD1-CZ 4.3Å; L425-F699 HydrophobicContact CD2-CZ 4.41Å; L425-F699 HydrophobicContact CG-CE2 4.25Å; L425-F699 HydrophobicContact CG-CZ 4.05Å; V430-F699 HydrophobicContact CB-CE1 4.31Å; V430-F699 HydrophobicContact CG1-CD1 4.2Å; V430-F699 HydrophobicContact CG1-CE1 3.88Å; V430-F699 HydrophobicContact CG2-CE1 3.97Å; V430-F699 HydrophobicContact CG2-CZ 3.98Å; Q457-F699 PolarHBondContact NE2-O 2.96Å; L462-F699 HydrophobicContact CD1-CD1 3.65Å; L462-F699 HydrophobicContact CD1-CE1 3.6Å; L462-F699 HydrophobicContact CD1-CG 4.35Å; L462-F699 HydrophobicContact CD1-CZ 4.24Å; L462-F699 HydrophobicContact CD2-CB 4.15Å; L462-F699 HydrophobicContact CD2-CD1 4.11Å; L462-F699 HydrophobicContact CD2-CG 4.05Å; L462-F699 HydrophobicContact CG-CD1 4.48Å; V694-F699 HydrophobicContact CG1-CE2 4.5Å; Q696-F699 PolarHBondContact O-N 2.98Å; T697-F699 PolarHBondContact O-N 3.41Å; T697-F699 VanDerWaalsContact O-N 3.15Å; F699-F702 HydrophobicContact CB-CB 4.49Å; F699-F702 VanDerWaalsContact O-CB 3.24Å; F699-F702 WeakPolarHBondContact O-CB 3.44Å; F699-F702 PolarHBondContact O-N 3.41Å
700	R	84.9	Confident	78.8	Confident	188 Å²	188	57.3 Å²	57.3	71%	0.709	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	143.9	170.8	-175.8	173.4	179.3	178	0	109.5	T697 F702	T697-R700 WeakPolarHBondContact O-CB 3.3Å; T697-R700 PolarHBondContact O-N 3.1Å; R700-F702 PolarHBondContact O-N 3.13Å
701	N	87.1	Confident	79.8	Confident	129 Å²	129	65.6 Å²	65.6	69%	0.69	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	16.8	-175.4	-47.7	-24.1	0	0	0	114.9
702	F	92.6	Very high	80.6	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.346	C	S	.	.			trans	-70.4	-33.7	171.8	179.9	-95.2	0	0	0	113.2	T433 L434 R437 T455 F456 Q457 L462 F464 F699 R700	T433-F702 HydrophobicContact CG2-CE2 4Å; L434-F702 HydrophobicContact CD2-CB 4.47Å; L434-F702 HydrophobicContact CD2-CD2 4.29Å; R437-F702 HydrophobicContact CB-CE2 4.42Å; R437-F702 WeakPolarHBondContact CD-O 3.19Å; R437-F702 HydrophobicContact CG-CE2 4.46Å; T455-F702 WeakPolarHBondContact CB-O 3.35Å; T455-F702 HydrophobicContact CG2-CE1 4.27Å; T455-F702 HydrophobicContact CG2-CZ 4.03Å; T455-F702 PolarHBondContact OG1-O 2.83Å; F456-F702 WeakPolarHBondContact O-CE1 3.41Å; Q457-F702 HydrophobicContact CB-CD1 4.12Å; L462-F702 HydrophobicContact CB-CE1 3.94Å; L462-F702 HydrophobicContact CB-CE2 4.31Å; L462-F702 HydrophobicContact CB-CZ 3.8Å; L462-F702 HydrophobicContact CD1-CE2 4.47Å; L462-F702 HydrophobicContact CD2-CD1 3.89Å; L462-F702 HydrophobicContact CD2-CD2 4.35Å; L462-F702 HydrophobicContact CD2-CE1 4.09Å; L462-F702 HydrophobicContact CD2-CG 4.03Å; L462-F702 HydrophobicContact CD2-CZ 4.43Å; F464-F702 HydrophobicContact CD2-CZ 4.02Å; F464-F702 HydrophobicContact CE1-CE2 4.09Å; F464-F702 HydrophobicContact CE1-CZ 4.21Å; F464-F702 AromaticContact CE2-CE2 3.83Å; F464-F702 HydrophobicContact CE2-CE2 3.83Å; F464-F702 AromaticContact CE2-CZ 3.65Å; F464-F702 HydrophobicContact CE2-CZ 3.65Å; F464-F702 HydrophobicContact CG-CZ 4.44Å; F464-F702 AromaticContact CZ-CE2 3.55Å; F464-F702 HydrophobicContact CZ-CE2 3.55Å; F464-F702 AromaticContact CZ-CZ 3.78Å; F464-F702 HydrophobicContact CZ-CZ 3.78Å; F699-F702 HydrophobicContact CB-CB 4.49Å; F699-F702 VanDerWaalsContact O-CB 3.24Å; F699-F702 WeakPolarHBondContact O-CB 3.44Å; F699-F702 PolarHBondContact O-N 3.41Å; R700-F702 PolarHBondContact O-N 3.13Å
703	S	92.9	Very high	80.9	Confident	72 Å²	72	60.1 Å²	60.1	50%	0.503	32%	0.319	S	S	.	.			trans	-75.1	131.2	-175.9	-51.8	0	0	0	0	112.1	T455	T455-S703 VanDerWaalsContact O-CA 3.29Å; T455-S703 WeakPolarHBondContact O-CA 3.47Å
704	F	92.8	Very high	81.1	Confident	57 Å²	57	62.1 Å²	62.1	25%	0.25	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	147.1	-178.5	164.9	-97.8	0	0	0	109.6	L452 C454 T455 N706	L452-F704 HydrophobicContact CD2-CD1 4.06Å; L452-F704 HydrophobicContact CD2-CE1 4.3Å; C454-F704 CarbonylContact C-O 3.42Å; C454-F704 WeakPolarHBondContact CA-O 3.38Å; C454-F704 VanDerWaalsContact CB-O 3.23Å; C454-F704 WeakPolarHBondContact CB-O 3.42Å; T455-F704 PolarHBondContact N-O 3.03Å; T455-F704 PolarHBondContact O-N 2.83Å; T455-F704 VanDerWaalsContact O-N 3.1Å; T455-F704 WeakPolarHBondContact OG1-CB 3.2Å; T455-F704 PolarHBondContact OG1-N 3.29Å; F704-N706 HydrophobicContact CE1-CB 4.05Å; F704-N706 HydrophobicContact CZ-CB 4.29Å
705	V	90.8	Very high	80.7	Confident	27 Å²	27	73.2 Å²	73.2	16%	0.164	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	121.4	174.2	-178.3	0	0	0	0	108.5	F383 C454 M709	F383-V705 HydrophobicContact CD2-CG2 4.11Å; F383-V705 HydrophobicContact CE2-CG1 3.95Å; F383-V705 HydrophobicContact CE2-CG2 4.27Å; C454-V705 HydrophobicContact CB-CB 4.42Å; C454-V705 HydrophobicContact CB-CG1 4.47Å; C454-V705 HydrophobicContact CB-CG2 4.12Å; V705-M709 HydrophobicContact CG1-CB 4.16Å; V705-M709 HydrophobicContact CG1-CG 4.42Å
706	N	86.9	Confident	81.1	Confident	12 Å²	12	72.6 Å²	72.6	6%	0.064	37%	0.374	C	S	.	.			trans	-71.3	138.2	174.8	-170.7	-50.4	0	0	0	110	L452 Y453 F704 G708 M709 A710	L452-N706 PolarHBondContact O-ND2 2.68Å; Y453-N706 WeakPolarHBondContact O-CB 3.27Å; Y453-N706 PolarHBondContact O-N 3.14Å; F704-N706 HydrophobicContact CE1-CB 4.05Å; F704-N706 HydrophobicContact CZ-CB 4.29Å; N706-G708 PolarHBondContact O-N 2.94Å; N706-G708 VanDerWaalsContact O-N 3.08Å; N706-G708 PolarHBondContact OD1-N 2.88Å; N706-M709 WeakPolarHBondContact O-CB 3.35Å; N706-M709 PolarHBondContact O-N 3.26Å; N706-A710 PolarHBondContact O-N 2.84Å
707	P	81.5	Confident	81.4	Confident	91 Å²	91	72.7 Å²	72.7	59%	0.591	38%	0.376	S	S	*	.	H	α-helix	trans	-50.9	-30.5	172.9	-29.1	36	0	0	0	114.8	A710 R711	P707-A710 PolarHBondContact O-N 2.68Å; P707-R711 WeakPolarHBondContact O-CG 3.4Å; P707-R711 PolarHBondContact O-N 2.81Å
708	G	77.6	Confident	81.4	Confident	18 Å²	18	71.5 Å²	71.5	19%	0.186	37%	0.365	C	S	.	.	H	α-helix	trans	-63.2	-38.7	173.2	0	0	0	0	0	113.4	N706 R711 I712	N706-G708 PolarHBondContact O-N 2.94Å; N706-G708 VanDerWaalsContact O-N 3.08Å; N706-G708 PolarHBondContact OD1-N 2.88Å; G708-R711 PolarHBondContact O-N 3.49Å; G708-I712 WeakPolarHBondContact O-CG1 3.47Å; G708-I712 PolarHBondContact O-N 2.73Å
709	M	80.8	Confident	81.5	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-67.6	-41.3	177.3	-172.3	58.4	174.4	0	0	111.8	F383 F388 L407 F414 Y453 C454 V705 N706 R711 I712 A713	F383-M709 HydrophobicContact CD1-CE 4.15Å; F383-M709 HydrophobicContact CE1-CE 3.72Å; F383-M709 HydrophobicContact CE2-CG 3.96Å; F383-M709 HydrophobicContact CZ-CE 3.92Å; F383-M709 HydrophobicContact CZ-CG 3.87Å; F388-M709 HydrophobicContact CE1-CE 4.34Å; F388-M709 HydrophobicContact CZ-CE 3.92Å; L407-M709 HydrophobicContact CD1-CE 4.23Å; L407-M709 HydrophobicContact CD2-CE 3.78Å; F414-M709 HydrophobicContact CE1-SD 4.07Å; F414-M709 HydrophobicContact CZ-CE 4.26Å; F414-M709 HydrophobicContact CZ-SD 3.91Å; Y453-M709 HydrophobicContact CD1-CB 4.05Å; Y453-M709 HydrophobicContact CD1-SD 4.03Å; Y453-M709 HydrophobicContact CG-SD 4.28Å; Y453-M709 WeakPolarHBondContact O-CB 3.42Å; C454-M709 HydrophobicContact CB-CG 4.34Å; V705-M709 HydrophobicContact CG1-CB 4.16Å; V705-M709 HydrophobicContact CG1-CG 4.42Å; N706-M709 WeakPolarHBondContact O-CB 3.35Å; N706-M709 PolarHBondContact O-N 3.26Å; M709-R711 VanDerWaalsContact C-N 3.27Å; M709-R711 PolarHBondContact O-N 2.83Å; M709-I712 PolarHBondContact O-N 2.7Å; M709-A713 PolarHBondContact O-N 2.98Å
710	A	75.9	Confident	81.1	Confident	40 Å²	40	75 Å²	75	33%	0.331	38%	0.384	S	S	.	.	H	α-helix	trans	-59.9	-36.8	176.2	0	0	0	0	0	112.2	N706 P707 A714	N706-A710 PolarHBondContact O-N 2.84Å; P707-A710 PolarHBondContact O-N 2.68Å; A710-A714 WeakPolarHBondContact O-CB 3.48Å; A710-A714 PolarHBondContact O-N 3.33Å
711	R	77.9	Confident	80.9	Confident	188 Å²	188	67.5 Å²	67.5	71%	0.709	36%	0.362	S	S	*	.	H	α-helix	trans	-70.3	-28.4	174.6	-67.7	175.6	-177.5	178	1.5	113.7	P707 G708 M709	P707-R711 WeakPolarHBondContact O-CG 3.4Å; P707-R711 PolarHBondContact O-N 2.81Å; G708-R711 PolarHBondContact O-N 3.49Å; M709-R711 VanDerWaalsContact C-N 3.27Å; M709-R711 PolarHBondContact O-N 2.83Å
712	I	79.2	Confident	80.4	Confident	20 Å²	20	63.1 Å²	63.1	10%	0.103	34%	0.339	C	S	.	.	H	α-helix	trans	-75.5	-42.3	176.2	-70.6	169.3	0	0	0	110.5	L407 K412 F414 Y453 G708 M709 A714 R715	L407-I712 HydrophobicContact CD2-CG2 4.05Å; K412-I712 HydrophobicContact CD-CD1 4.14Å; K412-I712 HydrophobicContact CD-CG1 4.33Å; K412-I712 HydrophobicContact CD-CG2 3.87Å; K412-I712 HydrophobicContact CG-CG2 4.46Å; F414-I712 HydrophobicContact CZ-CD1 4.37Å; F414-I712 HydrophobicContact CZ-CG2 4.36Å; Y453-I712 HydrophobicContact CD1-CD1 4.07Å; Y453-I712 HydrophobicContact CE1-CD1 3.52Å; G708-I712 WeakPolarHBondContact O-CG1 3.47Å; G708-I712 PolarHBondContact O-N 2.73Å; M709-I712 PolarHBondContact O-N 2.7Å; I712-A714 VanDerWaalsContact C-N 3.31Å; I712-A714 PolarHBondContact O-N 2.94Å; I712-R715 PolarHBondContact O-N 2.91Å
713	A	73.6	Confident	79.5	Confident	23 Å²	23	67.9 Å²	67.9	19%	0.19	37%	0.365	C	S	.	.	H	α-helix	trans	-80.9	-6.9	-176.8	0	0	0	0	0	114.7	F383 L407 M709	F383-A713 HydrophobicContact CE1-CB 3.89Å; F383-A713 HydrophobicContact CZ-CB 3.66Å; L407-A713 HydrophobicContact CD2-CB 4.36Å; M709-A713 PolarHBondContact O-N 2.98Å
714	A	67.3	Low	78.3	Confident	86 Å²	86	67.6 Å²	67.6	71%	0.711	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	3.6	172.6	0	0	0	0	0	113.6	A710 I712	A710-A714 WeakPolarHBondContact O-CB 3.48Å; A710-A714 PolarHBondContact O-N 3.33Å; I712-A714 VanDerWaalsContact C-N 3.31Å; I712-A714 PolarHBondContact O-N 2.94Å
715	R	56	Low	77	Confident	249 Å²	249	68.5 Å²	68.5	94%	0.94	36%	0.362	S	S	*	.			trans	-111.9	0	173.5	-66.7	179.3	179.2	-167.6	-0.9	109.7	I712	I712-R715 PolarHBondContact O-N 2.91Å

Retrieved 715 of 715 residues in 948.9 ms (Link to these results)

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