A0A077ZN46_TRITR Loading...

CAP domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZN46, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 814 aa.

						>A0A077ZN46_TRITR|A0A077ZN46
MNRERANVPGGAKNMGCLTWNASLAEDAKKVAENCFHSTDSSTYGYLKSTWQGEFEKYLTVPATWATPNQDFDTETMKCKDSGQCDDFLQSTYYKRGKIGCAYNTKCGRPDYLFVCAFENKIPKGIVPYEKGTQCSSCAQDEKCTTEKCCHLGGKEEDHNKEGDDKKKDDDDDKKTDDDDKKKEDNDMKKDDDVKKKDDEKKKDDDDKKRDDNDKKDDGKKKDDDDKKHKDDEKERDDKKDKDDKKDKDDKKDKDDKKDKDDKKDKDDKMHKEDKMDKDDKQKGDDKKKDDDDKRKNDEDKKKHDDIKKDDDDNKKDDDESRKDDDDKKNVGDKKSLNDKNKDNDDQKKDEDKRKDDNDKKEDDDKKDDDYKKRNDVKKKDDGDKQNDNDDKKKGDDKKKDDDDKKRNDDDKKKDDDDDKKDDDDKKKDKDDKKKDDDKKKDNNYKKDDDKKDDKDKKDDNDRRKVGDKKKADVDKKKIDEKNKDDDDRKKGVDKKKDDDDKKKDADEKKDDGDKKKDVDNKKKENDDKKDNDKKKDDNDEKNDDKKEDAEDKKKDGNDKKKVGDKKKNDDDKKDDDDKKKDDDKKKDEDEDKKRDEKKKNNDEKKKDDDDKKKDDDNNKDDDDKKKDDEKKKADDDKKKDDDDKKDNDEKKKDDDKKKDDDDKKKDDDDKKKDKDDKKKDKDNKKDDDKKKNDDDKKKDDNDKKNDDDKKKDDDDKKKDEDKKKDDDDKKKDDNDKKKDDEKKKDDEKKKDDDDKRKDDDKKKDDDKKKDDEDKKKDNDDKKKDDDKKKNDDDKKKNDDDPPSKPVLFKSCYA
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	94.7	Very high	94	Very high	37 Å²	37	46.9 Å²	46.9	18%	0.182	26%	0.262	C	S	.	.				0	-70	0	-149.1	61.5	-113.1	0	0	112.1	R3 E4 R5 L18 P62 A66 I99 F118	M1-R3 VanDerWaalsContact C-N 3.29Å; M1-R3 PolarHBondContact O-N 3.42Å; M1-R3 VanDerWaalsContact O-N 3.15Å; M1-E4 PolarHBondContact O-N 2.74Å; M1-R5 HydrophobicContact CE-CG 4.02Å; M1-R5 PolarHBondContact O-N 3.36Å; M1-L18 HydrophobicContact CG-CD1 3.76Å; M1-P62 HydrophobicContact CB-CB 4.42Å; M1-P62 HydrophobicContact SD-CB 3.93Å; M1-A66 HydrophobicContact CE-CB 3.96Å; M1-I99 HydrophobicContact CG-CD1 4.26Å; M1-F118 HydrophobicContact SD-CZ 4.45Å
2	N	94.7	Very high	94	Very high	56 Å²	56	43.1 Å²	43.1	30%	0.299	24%	0.241	S	C	.	.	H	α-helix	trans	-57.5	-28.7	-175.9	-81.6	-9.9	0	0	0	116.3	L18 K148	N2-L18 PolarHBondContact ND2-O 3.1Å; N2-L18 WeakPolarHBondContact OD1-CB 2.95Å; N2-L18 PolarHBondContact OD1-N 3.42Å; N2-L18 PolarHBondContact OD1-O 2.74Å; N2-K148 HydrophobicContact CB-CD 4.34Å; N2-K148 VanDerWaalsContact O-CD 3.24Å; N2-K148 WeakPolarHBondContact O-CD 3.31Å; N2-K148 WeakPolarHBondContact O-CE 3.23Å; N2-K148 PolarHBondContact O-NZ 3.41Å
3	R	94.1	Very high	94.1	Very high	164 Å²	164	45 Å²	45	62%	0.619	25%	0.245	S	C	*	.	H	α-helix	trans	-66.7	-53	171.4	-179.6	-176.5	62.6	-159.3	-6.4	110.8	M1 R5 A6 N7	M1-R3 VanDerWaalsContact C-N 3.29Å; M1-R3 PolarHBondContact O-N 3.42Å; M1-R3 VanDerWaalsContact O-N 3.15Å; R3-R5 VanDerWaalsContact C-N 3.26Å; R3-R5 PolarHBondContact O-N 3.08Å; R3-A6 WeakPolarHBondContact O-CB 3.22Å; R3-A6 PolarHBondContact O-N 3.33Å; R3-N7 PolarHBondContact O-N 2.67Å
4	E	95.4	Very high	94.2	Very high	30 Å²	30	42.9 Å²	42.9	14%	0.14	23%	0.234	C	C	.	.	H	α-helix	trans	-63.1	-34.4	-176.4	-29.6	-42.8	140.8	0	0	111.9	M1 A6 N7 V8 P62 A63 A66	M1-E4 PolarHBondContact O-N 2.74Å; E4-A6 VanDerWaalsContact C-N 3.34Å; E4-A6 PolarHBondContact O-N 2.57Å; E4-N7 PolarHBondContact O-N 3.24Å; E4-N7 VanDerWaalsContact O-N 3.12Å; E4-V8 PolarHBondContact O-N 2.9Å; E4-P62 HydrophobicContact CG-CB 4.33Å; E4-A63 HydrophobicContact CG-CB 4.4Å; E4-A66 HydrophobicContact CB-CB 3.44Å; E4-A66 VanDerWaalsContact CB-CB 3.44Å; E4-A66 HydrophobicContact CG-CB 4.28Å
5	R	95.6	Very high	94.3	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-61.2	-34.3	173.2	-77.6	174.2	67.1	93.1	-6.5	113.7	M1 R3 N7 V8 M15 G16 S91 Y93 Y94 K95 K148	M1-R5 HydrophobicContact CE-CG 4.02Å; M1-R5 PolarHBondContact O-N 3.36Å; R3-R5 VanDerWaalsContact C-N 3.26Å; R3-R5 PolarHBondContact O-N 3.08Å; R5-N7 VanDerWaalsContact C-N 3.35Å; R5-V8 WeakPolarHBondContact O-CG1 3.5Å; R5-M15 HydrophobicContact CB-CG 4Å; R5-M15 HydrophobicContact CB-SD 3.85Å; R5-M15 HydrophobicContact CG-SD 4.16Å; R5-M15 VanDerWaalsContact CZ-SD 3.57Å; R5-M15 WeakPolarHBondContact O-CE 3.42Å; R5-M15 WeakPolarHBondContact O-CG 3.47Å; R5-G16 PolarHBondContact NE-O 3.34Å; R5-G16 PolarHBondContact NH2-O 2.62Å; R5-S91 PolarHBondContact NH1-O 3.24Å; R5-Y93 PolarHBondContact NH1-O 3.12Å; R5-Y93 PolarHBondContact NH2-O 2.92Å; R5-Y94 PolarHBondContact NH2-O 2.69Å; R5-K95 PolarHBondContact NH2-O 3Å; R5-K148 HydrophobicContact CB-CD 4.49Å
6	A	94.1	Very high	94.4	Very high	2 Å²	2	37.8 Å²	37.8	2%	0.017	21%	0.206	C	C	.	.	H	α-helix	trans	-69.9	-35.9	173.1	0	0	0	0	0	112.1	R3 E4 V8 Q134 E147 K148	R3-A6 WeakPolarHBondContact O-CB 3.22Å; R3-A6 PolarHBondContact O-N 3.33Å; E4-A6 VanDerWaalsContact C-N 3.34Å; E4-A6 PolarHBondContact O-N 2.57Å; A6-V8 VanDerWaalsContact C-N 3.28Å; A6-V8 PolarHBondContact O-N 2.97Å; A6-Q134 PolarHBondContact O-NE2 2.93Å; A6-E147 HydrophobicContact CB-CB 3.88Å; A6-K148 HydrophobicContact CB-CG 4.21Å
7	N	93.2	Very high	94.4	Very high	101 Å²	101	35.6 Å²	35.6	54%	0.54	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	17.4	-170.7	-61.8	-4.1	0	0	0	113.7	R3 E4 R5	R3-N7 PolarHBondContact O-N 2.67Å; E4-N7 PolarHBondContact O-N 3.24Å; E4-N7 VanDerWaalsContact O-N 3.12Å; R5-N7 VanDerWaalsContact C-N 3.35Å
8	V	94.2	Very high	94.4	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.03	19%	0.188	C	C	.	.			trans	-67.5	146.2	-175.5	-65.8	0	0	0	0	112.4	E4 R5 A6 G10 G11 A12 M15 T92 Y129	E4-V8 PolarHBondContact O-N 2.9Å; R5-V8 WeakPolarHBondContact O-CG1 3.5Å; A6-V8 VanDerWaalsContact C-N 3.28Å; A6-V8 PolarHBondContact O-N 2.97Å; V8-G10 PolarHBondContact O-N 2.92Å; V8-G11 PolarHBondContact O-N 2.81Å; V8-A12 HydrophobicContact CG2-CB 3.57Å; V8-M15 HydrophobicContact CG1-CE 4.19Å; V8-M15 HydrophobicContact CG2-CE 3.84Å; V8-T92 HydrophobicContact CG1-CG2 3.59Å; V8-Y129 HydrophobicContact CB-CD1 4.38Å; V8-Y129 HydrophobicContact CB-CE1 3.68Å; V8-Y129 HydrophobicContact CB-CE2 4.22Å; V8-Y129 HydrophobicContact CG1-CE1 4.11Å; V8-Y129 HydrophobicContact CG2-CD1 4.04Å; V8-Y129 HydrophobicContact CG2-CD2 3.96Å; V8-Y129 HydrophobicContact CG2-CE1 3.71Å; V8-Y129 HydrophobicContact CG2-CE2 3.6Å; V8-Y129 HydrophobicContact CG2-CG 4.17Å; V8-Y129 VanDerWaalsContact CG2-CZ 3.49Å
9	P	93	Very high	94.5	Very high	49 Å²	49	35.7 Å²	35.7	32%	0.318	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	126.7	-173.2	-31.1	39.7	0	0	0	114.6	P68 T74 Y129	P9-P68 HydrophobicContact CG-CG 3.86Å; P9-T74 HydrophobicContact CB-CG2 4.43Å; P9-Y129 PolarHBondContact O-OH 3.27Å
10	G	91.8	Very high	94.6	Very high	58 Å²	58	42.1 Å²	42.1	60%	0.598	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	85	1.1	-176.2	0	0	0	0	0	115.2	V8 G132	V8-G10 PolarHBondContact O-N 2.92Å; G10-G132 PolarHBondContact O-N 2.79Å
11	G	92.8	Very high	94.8	Very high	13 Å²	13	42.4 Å²	42.4	13%	0.134	22%	0.22	C	C	.	.			trans	70.5	160.5	-173.4	0	0	0	0	0	112.3	V8 K131 G132	V8-G11 PolarHBondContact O-N 2.81Å; G11-K131 VanDerWaalsContact O-CA 3.31Å; G11-K131 WeakPolarHBondContact O-CA 3.45Å; G11-G132 CarbonylContact C-O 3.6Å; G11-G132 WeakPolarHBondContact CA-O 3.23Å; G11-G132 PolarHBondContact O-N 3.34Å; G11-G132 VanDerWaalsContact O-N 3.12Å
12	A	95	Very high	94.9	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.008	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-133.1	115.8	-178.3	0	0	0	0	0	112.3	V8 N14 M15 Y129 E130 G132 Q134	V8-A12 HydrophobicContact CG2-CB 3.57Å; A12-N14 VanDerWaalsContact C-N 3.3Å; A12-N14 PolarHBondContact O-N 2.85Å; A12-M15 HydrophobicContact CB-CB 3.74Å; A12-M15 HydrophobicContact CB-CE 3.69Å; A12-Y129 HydrophobicContact CB-CD2 3.55Å; A12-Y129 HydrophobicContact CB-CE2 4.25Å; A12-Y129 HydrophobicContact CB-CG 3.9Å; A12-E130 CarbonylContact C-O 3.13Å; A12-E130 WeakPolarHBondContact CA-O 3.45Å; A12-G132 PolarHBondContact N-O 2.94Å; A12-Q134 WeakPolarHBondContact O-CA 3.15Å
13	K	95.3	Very high	95	Very high	68 Å²	68	44.6 Å²	44.6	30%	0.296	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-34.9	-175.5	-54.6	-177.6	178.2	159.2	0	113.6	E130 K131 T133 C135 S136 S137	K13-E130 PolarHBondContact N-O 3.08Å; K13-K131 WeakPolarHBondContact CE-O 3.42Å; K13-T133 WeakPolarHBondContact CA-O 3.35Å; K13-C135 CarbonylContact O-C 3.5Å; K13-C135 VanDerWaalsContact O-CA 3.24Å; K13-C135 WeakPolarHBondContact O-CA 3.37Å; K13-C135 PolarHBondContact O-N 3.39Å; K13-S136 VanDerWaalsContact CG-OG 3.3Å; K13-S136 WeakPolarHBondContact CG-OG 3.37Å; K13-S136 PolarHBondContact O-N 2.71Å; K13-S137 CarbonylContact O-C 3.18Å; K13-S137 PolarHBondContact O-N 3.35Å
14	N	94.8	Very high	95.2	Very high	16 Å²	16	37 Å²	37	9%	0.086	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	21.8	-166	63.7	-5	0	0	0	112.6	A12 G16 Y94 E130	A12-N14 VanDerWaalsContact C-N 3.3Å; A12-N14 PolarHBondContact O-N 2.85Å; N14-G16 PolarHBondContact O-N 3Å; N14-Y94 HydrophobicContact CB-CD2 4.26Å; N14-E130 VanDerWaalsContact ND2-CG 3.33Å; N14-E130 WeakPolarHBondContact ND2-CG 3.07Å; N14-E130 PolarHBondContact ND2-OE1 2.86Å; N14-E130 PolarHBondContact OD1-N 2.8Å; N14-E130 VanDerWaalsContact OD1-N 3.12Å
15	M	96.1	Very high	95.3	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	22%	0.218	C	C	.	.			trans	-72.5	100.8	-174.3	-175	64.5	62.1	0	0	112.2	R5 V8 A12 T92 Y129 K148 C149	R5-M15 HydrophobicContact CB-CG 4Å; R5-M15 HydrophobicContact CB-SD 3.85Å; R5-M15 HydrophobicContact CG-SD 4.16Å; R5-M15 VanDerWaalsContact CZ-SD 3.57Å; R5-M15 WeakPolarHBondContact O-CE 3.42Å; R5-M15 WeakPolarHBondContact O-CG 3.47Å; V8-M15 HydrophobicContact CG1-CE 4.19Å; V8-M15 HydrophobicContact CG2-CE 3.84Å; A12-M15 HydrophobicContact CB-CB 3.74Å; A12-M15 HydrophobicContact CB-CE 3.69Å; M15-T92 WeakPolarHBondContact CE-O 3.46Å; M15-Y129 HydrophobicContact CE-CD1 3.91Å; M15-Y129 HydrophobicContact CE-CG 3.91Å; M15-K148 HydrophobicContact CB-CG 4.44Å; M15-K148 HydrophobicContact CG-CG 3.98Å; M15-K148 CarbonylContact O-C 3.51Å; M15-K148 VanDerWaalsContact O-CA 3.25Å; M15-K148 WeakPolarHBondContact O-CA 3.06Å; M15-K148 VanDerWaalsContact O-CB 3.25Å; M15-K148 WeakPolarHBondContact O-CB 3.18Å; M15-C149 PolarHBondContact O-N 2.9Å
16	G	95.2	Very high	95.4	Very high	2 Å²	2	40.5 Å²	40.5	2%	0.021	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-67.7	143.8	173.7	0	0	0	0	0	113.6	R5 N14 Y94 C149	R5-G16 PolarHBondContact NE-O 3.34Å; R5-G16 PolarHBondContact NH2-O 2.62Å; N14-G16 PolarHBondContact O-N 3Å; G16-Y94 VanDerWaalsContact CA-O 3.3Å; G16-Y94 WeakPolarHBondContact CA-O 3.45Å; G16-Y94 PolarHBondContact N-O 2.89Å; G16-C149 CarbonylContact C-O 3.55Å; G16-C149 VanDerWaalsContact CA-O 3.32Å; G16-C149 WeakPolarHBondContact CA-O 3.34Å
17	C	94.5	Very high	95.4	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.014	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-66.5	149.8	171.3	-68.8	0	0	0	0	112.8	R96 G97 C149 C150	C17-R96 WeakPolarHBondContact O-CA 3.36Å; C17-R96 WeakPolarHBondContact O-CG 3.36Å; C17-G97 PolarHBondContact O-N 3Å; C17-C149 PolarHBondContact N-O 2.56Å; C17-C149 PolarHBondContact SG-O 2.67Å; C17-C150 HydrophobicContact CB-CB 4.14Å; C17-C150 WeakPolarHBondContact CB-SG 3.49Å; C17-C150 VanDerWaalsContact SG-CA 3.56Å; C17-C150 WeakPolarHBondContact SG-CB 2.95Å; C17-C150 CovalentContact SG-SG 2.03Å; C17-C150 PolarHBondContact SG-SG 3.21Å
18	L	95.3	Very high	95.6	Very high	13 Å²	13	37 Å²	37	7%	0.068	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.1	164.7	-61.8	173.7	0	0	0	110.8	M1 N2 G97 I99 F118	M1-L18 HydrophobicContact CG-CD1 3.76Å; N2-L18 PolarHBondContact ND2-O 3.1Å; N2-L18 WeakPolarHBondContact OD1-CB 2.95Å; N2-L18 PolarHBondContact OD1-N 3.42Å; N2-L18 PolarHBondContact OD1-O 2.74Å; L18-G97 CarbonylContact C-O 3.53Å; L18-G97 VanDerWaalsContact CA-O 3.26Å; L18-G97 WeakPolarHBondContact CA-O 3.42Å; L18-I99 HydrophobicContact CB-CB 4.47Å; L18-I99 HydrophobicContact CB-CG2 4.03Å; L18-I99 HydrophobicContact CD1-CD1 4.38Å; L18-F118 HydrophobicContact CD1-CD1 3.94Å; L18-F118 HydrophobicContact CD1-CE1 3.72Å
19	T	95.5	Very high	95.8	Very high	59 Å²	59	40.1 Å²	40.1	36%	0.362	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	150.4	174.5	54.2	0	0	0	0	111	G97 K98 I99	T19-G97 PolarHBondContact N-O 3.37Å; T19-K98 CarbonylContact O-C 3.51Å; T19-K98 VanDerWaalsContact O-CA 3.23Å; T19-K98 WeakPolarHBondContact O-CA 3.42Å; T19-I99 PolarHBondContact O-N 2.91Å
20	W	97.2	Very high	95.9	Very high	164 Å²	164	43.3 Å²	43.3	62%	0.621	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	150.8	176.5	-177.4	-106.9	0	0	0	111.8	A25 I99 C101	W20-A25 HydrophobicContact CH2-CB 3.9Å; W20-A25 HydrophobicContact CZ2-CB 3.6Å; W20-I99 CarbonylContact C-O 3.51Å; W20-I99 WeakPolarHBondContact CA-O 3.26Å; W20-C101 HydrophobicContact CH2-CB 4.34Å; W20-C101 VanDerWaalsContact CH2-N 3.33Å; W20-C101 HydrophobicContact CZ3-CB 4.17Å
21	N	97.7	Very high	96.1	Very high	49 Å²	49	41.5 Å²	41.5	26%	0.262	22%	0.218	S	C	.	.			trans	-148.2	130.5	168.3	180	-93	0	0	0	111.8	S23 L24 A25 K98 I99	N21-S23 WeakPolarHBondContact OD1-CA 3.33Å; N21-S23 WeakPolarHBondContact OD1-CB 3.43Å; N21-S23 PolarHBondContact OD1-N 2.85Å; N21-L24 HydrophobicContact CB-CB 4.4Å; N21-L24 HydrophobicContact CB-CD1 4.31Å; N21-L24 HydrophobicContact CB-CG 4.4Å; N21-L24 PolarHBondContact OD1-N 3.43Å; N21-A25 PolarHBondContact O-N 3.43Å; N21-K98 HydrophobicContact CB-CB 3.76Å; N21-K98 HydrophobicContact CB-CD 4.05Å; N21-K98 HydrophobicContact CB-CG 4.11Å; N21-I99 PolarHBondContact N-O 3.07Å
22	A	97.8	Very high	96.2	Very high	67 Å²	67	40.9 Å²	40.9	55%	0.554	21%	0.212	S	C	*	.	H	α-helix	trans	-69.9	-35.9	-177.4	0	0	0	0	0	113.7	A25 E26	A22-A25 WeakPolarHBondContact O-CB 3.19Å; A22-A25 PolarHBondContact O-N 2.78Å; A22-A25 VanDerWaalsContact O-N 3.09Å; A22-E26 PolarHBondContact O-N 3.28Å
23	S	97	Very high	96.2	Very high	72 Å²	72	45.9 Å²	45.9	50%	0.503	24%	0.235	S	C	.	.	H	α-helix	trans	-63.9	-44.8	178.1	-166.2	0	0	0	0	111.2	N21 A25 E26 D27	N21-S23 WeakPolarHBondContact OD1-CA 3.33Å; N21-S23 WeakPolarHBondContact OD1-CB 3.43Å; N21-S23 PolarHBondContact OD1-N 2.85Å; S23-A25 PolarHBondContact O-N 2.89Å; S23-E26 PolarHBondContact O-N 3.45Å; S23-D27 PolarHBondContact O-N 2.84Å
24	L	97.2	Very high	96.1	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-28.2	173.1	-70	-178.6	0	0	0	112.9	N21 A28 Y44 K98 A117 E119	N21-L24 HydrophobicContact CB-CB 4.4Å; N21-L24 HydrophobicContact CB-CD1 4.31Å; N21-L24 HydrophobicContact CB-CG 4.4Å; N21-L24 PolarHBondContact OD1-N 3.43Å; L24-A28 VanDerWaalsContact O-CB 3.25Å; L24-A28 WeakPolarHBondContact O-CB 3.39Å; L24-A28 PolarHBondContact O-N 3.12Å; L24-Y44 HydrophobicContact CD2-CD1 3.94Å; L24-Y44 HydrophobicContact CD2-CD2 3.85Å; L24-Y44 HydrophobicContact CD2-CE1 3.73Å; L24-Y44 HydrophobicContact CD2-CE2 3.63Å; L24-Y44 HydrophobicContact CD2-CG 4.02Å; L24-K98 HydrophobicContact CD1-CB 3.61Å; L24-A117 HydrophobicContact CB-CB 4.23Å; L24-A117 HydrophobicContact CD2-CB 4.28Å; L24-A117 WeakPolarHBondContact O-CB 3.03Å; L24-E119 HydrophobicContact CD1-CB 4.11Å
25	A	98.1	Very high	96.1	Very high	13 Å²	13	49.2 Å²	49.2	11%	0.107	26%	0.26	C	S	.	.	H	α-helix	trans	-73.3	-39.5	175.6	0	0	0	0	0	111.5	W20 N21 A22 S23 A28 K29	W20-A25 HydrophobicContact CH2-CB 3.9Å; W20-A25 HydrophobicContact CZ2-CB 3.6Å; N21-A25 PolarHBondContact O-N 3.43Å; A22-A25 WeakPolarHBondContact O-CB 3.19Å; A22-A25 PolarHBondContact O-N 2.78Å; A22-A25 VanDerWaalsContact O-N 3.09Å; S23-A25 PolarHBondContact O-N 2.89Å; A25-A28 PolarHBondContact O-N 3.43Å; A25-K29 VanDerWaalsContact O-CB 3.31Å; A25-K29 WeakPolarHBondContact O-CB 3.3Å; A25-K29 PolarHBondContact O-N 3.3Å
26	E	97	Very high	96	Very high	90 Å²	90	50.6 Å²	50.6	42%	0.421	27%	0.266	S	S	.	.	H	α-helix	trans	-68.6	-32.7	172.2	-74.9	-65.5	128.9	0	0	112.5	A22 S23 K29 K30	A22-E26 PolarHBondContact O-N 3.28Å; S23-E26 PolarHBondContact O-N 3.45Å; E26-K29 WeakPolarHBondContact O-CB 3.31Å; E26-K29 PolarHBondContact O-N 2.87Å; E26-K29 WeakPolarHBondContact OE1-CD 3.43Å; E26-K29 IonicContact OE1-NZ 3.51Å; E26-K29 PolarHBondContact OE1-NZ 3.11Å; E26-K29 IonicContact OE2-NZ 3.36Å; E26-K29 PolarHBondContact OE2-NZ 2.99Å; E26-K30 WeakPolarHBondContact O-CG 3.34Å; E26-K30 PolarHBondContact O-N 2.82Å
27	D	95.7	Very high	95.7	Very high	30 Å²	30	56.7 Å²	56.7	16%	0.16	29%	0.294	C	S	.	.	H	α-helix	trans	-71.7	-40.2	171.4	-70.5	-37.5	0	0	0	112.4	S23 K29 K30 V31	S23-D27 PolarHBondContact O-N 2.84Å; D27-K29 VanDerWaalsContact C-N 3.25Å; D27-K29 PolarHBondContact O-N 3.27Å; D27-K30 PolarHBondContact O-N 2Å; D27-K30 IonicContact OD1-NZ 3.24Å; D27-K30 PolarHBondContact OD1-NZ 3.27Å; D27-V31 WeakPolarHBondContact O-CG2 3.43Å; D27-V31 PolarHBondContact O-N 3.22Å; D27-V31 VanDerWaalsContact O-N 3.1Å
28	A	97.4	Very high	94.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.1	-35.9	169.7	0	0	0	0	0	112.1	L24 A25 V31 A32 A102 V115 A117	L24-A28 VanDerWaalsContact O-CB 3.25Å; L24-A28 WeakPolarHBondContact O-CB 3.39Å; L24-A28 PolarHBondContact O-N 3.12Å; A25-A28 PolarHBondContact O-N 3.43Å; A28-V31 PolarHBondContact O-N 3.29Å; A28-A32 WeakPolarHBondContact O-CB 3.33Å; A28-A32 PolarHBondContact O-N 2.66Å; A28-A102 HydrophobicContact CB-CB 4.21Å; A28-V115 HydrophobicContact CB-CG1 4.13Å; A28-A117 HydrophobicContact CB-CB 4.08Å
29	K	96.7	Very high	94.6	Very high	70 Å²	70	60.8 Å²	60.8	30%	0.304	32%	0.323	S	S	.	.	H	α-helix	trans	-66.4	-47.3	175.2	173.2	179.4	155	-152.5	0	112	A25 E26 D27 V31 A32 E33 A102	A25-K29 VanDerWaalsContact O-CB 3.31Å; A25-K29 WeakPolarHBondContact O-CB 3.3Å; A25-K29 PolarHBondContact O-N 3.3Å; E26-K29 WeakPolarHBondContact O-CB 3.31Å; E26-K29 PolarHBondContact O-N 2.87Å; E26-K29 WeakPolarHBondContact OE1-CD 3.43Å; E26-K29 IonicContact OE1-NZ 3.51Å; E26-K29 PolarHBondContact OE1-NZ 3.11Å; E26-K29 IonicContact OE2-NZ 3.36Å; E26-K29 PolarHBondContact OE2-NZ 2.99Å; D27-K29 VanDerWaalsContact C-N 3.25Å; D27-K29 PolarHBondContact O-N 3.27Å; K29-V31 PolarHBondContact O-N 2.91Å; K29-A32 CarbonylContact O-C 3.58Å; K29-A32 PolarHBondContact O-N 3.21Å; K29-A32 VanDerWaalsContact O-N 3.08Å; K29-E33 HydrophobicContact CG-CG 4.36Å; K29-E33 WeakPolarHBondContact O-CB 3.18Å; K29-E33 WeakPolarHBondContact O-CG 3.47Å; K29-E33 PolarHBondContact O-N 2.98Å; K29-A102 VanDerWaalsContact CA-CB 3.44Å; K29-A102 HydrophobicContact CB-CB 3.62Å
30	K	95.5	Very high	93.9	Very high	116 Å²	116	64.8 Å²	64.8	50%	0.504	34%	0.342	S	S	.	.	H	α-helix	trans	-55	-42.4	173.2	-66.6	162.3	-155.4	166.2	0	111.5	E26 D27 E33 N34	E26-K30 WeakPolarHBondContact O-CG 3.34Å; E26-K30 PolarHBondContact O-N 2.82Å; D27-K30 PolarHBondContact O-N 2Å; D27-K30 IonicContact OD1-NZ 3.24Å; D27-K30 PolarHBondContact OD1-NZ 3.27Å; K30-E33 PolarHBondContact O-N 3.12Å; K30-N34 WeakPolarHBondContact O-CB 3.44Å; K30-N34 PolarHBondContact O-N 3.1Å
31	V	95.9	Very high	93.3	Very high	21 Å²	21	62.5 Å²	62.5	13%	0.127	35%	0.351	C	S	.	.	H	α-helix	trans	-68.4	-38.9	176.7	172.6	0	0	0	0	112	D27 A28 K29 N34 C35 F36 T39 Y46 V115	D27-V31 WeakPolarHBondContact O-CG2 3.43Å; D27-V31 PolarHBondContact O-N 3.22Å; D27-V31 VanDerWaalsContact O-N 3.1Å; A28-V31 PolarHBondContact O-N 3.29Å; K29-V31 PolarHBondContact O-N 2.91Å; V31-N34 CarbonylContact O-C 3.47Å; V31-N34 PolarHBondContact O-N 2.96Å; V31-C35 PolarHBondContact O-N 3.05Å; V31-F36 HydrophobicContact CG1-CB 4.44Å; V31-F36 HydrophobicContact CG1-CD2 3.57Å; V31-F36 HydrophobicContact CG1-CE2 4.13Å; V31-F36 HydrophobicContact CG1-CG 4.14Å; V31-F36 WeakPolarHBondContact O-CA 3.41Å; V31-F36 PolarHBondContact O-N 2.8Å; V31-T39 HydrophobicContact CG1-CG2 3.53Å; V31-T39 HydrophobicContact CG2-CG2 4.33Å; V31-Y46 HydrophobicContact CB-CD1 4.39Å; V31-Y46 HydrophobicContact CB-CE1 4.06Å; V31-Y46 HydrophobicContact CG1-CD1 4.21Å; V31-Y46 HydrophobicContact CG1-CE1 4.38Å; V31-Y46 HydrophobicContact CG2-CD1 4.22Å; V31-Y46 HydrophobicContact CG2-CE1 3.61Å; V31-Y46 HydrophobicContact CG2-CE2 4.37Å; V31-V115 HydrophobicContact CB-CG1 4.28Å; V31-V115 HydrophobicContact CG1-CG1 3.96Å
32	A	95.6	Very high	93	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-68	-39	174.7	0	0	0	0	0	112.5	A28 K29 C35 N104 V115	A28-A32 WeakPolarHBondContact O-CB 3.33Å; A28-A32 PolarHBondContact O-N 2.66Å; K29-A32 CarbonylContact O-C 3.58Å; K29-A32 PolarHBondContact O-N 3.21Å; K29-A32 VanDerWaalsContact O-N 3.08Å; A32-C35 WeakPolarHBondContact O-CA 3.43Å; A32-C35 PolarHBondContact O-N 2.93Å; A32-N104 HydrophobicContact CB-CB 3.83Å; A32-N104 VanDerWaalsContact O-CB 3.29Å; A32-N104 WeakPolarHBondContact O-CB 3.14Å; A32-N104 PolarHBondContact O-ND2 2.97Å; A32-V115 HydrophobicContact CB-CB 4.18Å; A32-V115 HydrophobicContact CB-CG2 3.72Å
33	E	94.7	Very high	92.7	Very high	105 Å²	105	63.9 Å²	63.9	49%	0.491	36%	0.356	S	S	.	.	H	α-helix	trans	-64.1	-40.6	174.7	-74.2	175.8	165.3	0	0	111.3	K29 K30 C35 N104	K29-E33 HydrophobicContact CG-CG 4.36Å; K29-E33 WeakPolarHBondContact O-CB 3.18Å; K29-E33 WeakPolarHBondContact O-CG 3.47Å; K29-E33 PolarHBondContact O-N 2.98Å; K30-E33 PolarHBondContact O-N 3.12Å; E33-C35 PolarHBondContact O-N 3.28Å; E33-N104 WeakPolarHBondContact CA-ND2 3.39Å
34	N	94	Very high	92.6	Very high	94 Å²	94	63.7 Å²	63.7	50%	0.503	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	18.5	170	-160	39.5	0	0	0	113.7	K30 V31 F36 H37	K30-N34 WeakPolarHBondContact O-CB 3.44Å; K30-N34 PolarHBondContact O-N 3.1Å; V31-N34 CarbonylContact O-C 3.47Å; V31-N34 PolarHBondContact O-N 2.96Å; N34-F36 PolarHBondContact O-N 3.18Å; N34-F36 VanDerWaalsContact O-N 3.09Å; N34-H37 PolarHBondContact ND2-O 3.29Å; N34-H37 VanDerWaalsContact ND2-O 3.12Å; N34-H37 VanDerWaalsContact O-CB 3.28Å; N34-H37 WeakPolarHBondContact O-CB 3.2Å; N34-H37 PolarHBondContact O-N 3.45Å
35	C	94.2	Very high	92.6	Very high	61 Å²	61	63.5 Å²	63.5	41%	0.412	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	37	176.6	-60	0	0	0	0	115.8	V31 A32 E33 H37 C107 L113	V31-C35 PolarHBondContact O-N 3.05Å; A32-C35 WeakPolarHBondContact O-CA 3.43Å; A32-C35 PolarHBondContact O-N 2.93Å; E33-C35 PolarHBondContact O-N 3.28Å; C35-H37 VanDerWaalsContact C-N 3.27Å; C35-H37 PolarHBondContact O-N 2.85Å; C35-C107 WeakPolarHBondContact CA-SG 2.98Å; C35-C107 HydrophobicContact CB-CB 3.9Å; C35-C107 WeakPolarHBondContact CB-SG 3.13Å; C35-C107 WeakPolarHBondContact SG-CA 3.43Å; C35-C107 WeakPolarHBondContact SG-CB 3.48Å; C35-C107 CovalentContact SG-SG 2.04Å; C35-C107 PolarHBondContact SG-SG 3.28Å; C35-L113 HydrophobicContact CB-CD2 4.42Å
36	F	93.7	Very high	92.5	Very high	30 Å²	30	64.6 Å²	64.6	13%	0.132	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	29.9	-175.8	-150.7	-91.4	0	0	0	114	V31 N34 T39 K48 L113 V115	V31-F36 HydrophobicContact CG1-CB 4.44Å; V31-F36 HydrophobicContact CG1-CD2 3.57Å; V31-F36 HydrophobicContact CG1-CE2 4.13Å; V31-F36 HydrophobicContact CG1-CG 4.14Å; V31-F36 WeakPolarHBondContact O-CA 3.41Å; V31-F36 PolarHBondContact O-N 2.8Å; N34-F36 PolarHBondContact O-N 3.18Å; N34-F36 VanDerWaalsContact O-N 3.09Å; F36-T39 HydrophobicContact CD1-CG2 4.07Å; F36-T39 HydrophobicContact CD2-CG2 4.24Å; F36-T39 HydrophobicContact CE1-CG2 3.94Å; F36-T39 WeakPolarHBondContact CE1-OG1 3.38Å; F36-T39 HydrophobicContact CE2-CG2 4.14Å; F36-T39 HydrophobicContact CG-CG2 4.23Å; F36-T39 HydrophobicContact CZ-CG2 3.99Å; F36-K48 HydrophobicContact CB-CD 4.04Å; F36-K48 HydrophobicContact CD1-CD 3.63Å; F36-K48 HydrophobicContact CD1-CG 4.19Å; F36-K48 HydrophobicContact CD2-CB 3.71Å; F36-K48 HydrophobicContact CD2-CD 4.09Å; F36-K48 HydrophobicContact CD2-CG 4.15Å; F36-K48 HydrophobicContact CE1-CD 4Å; F36-K48 HydrophobicContact CE1-CG 4.1Å; F36-K48 HydrophobicContact CE2-CB 3.68Å; F36-K48 HydrophobicContact CE2-CD 4.41Å; F36-K48 HydrophobicContact CE2-CG 4.04Å; F36-K48 HydrophobicContact CG-CB 4.2Å; F36-K48 HydrophobicContact CG-CD 3.68Å; F36-K48 HydrophobicContact CG-CG 4.21Å; F36-K48 HydrophobicContact CZ-CB 4.16Å; F36-K48 HydrophobicContact CZ-CD 4.36Å; F36-K48 HydrophobicContact CZ-CG 4.01Å; F36-L113 HydrophobicContact CB-CD2 4.37Å; F36-V115 HydrophobicContact CD2-CG1 4.09Å; F36-V115 HydrophobicContact CD2-CG2 3.83Å; F36-V115 HydrophobicContact CE2-CG1 4.04Å; F36-V115 HydrophobicContact CE2-CG2 4.43Å
37	H	89	Confident	92.5	Very high	129 Å²	129	60.5 Å²	60.5	60%	0.597	33%	0.327	S	S	*	.			trans	-80.7	132	172.7	-160.9	81.7	0	0	0	111	N34 C35	N34-H37 PolarHBondContact ND2-O 3.29Å; N34-H37 VanDerWaalsContact ND2-O 3.12Å; N34-H37 VanDerWaalsContact O-CB 3.28Å; N34-H37 WeakPolarHBondContact O-CB 3.2Å; N34-H37 PolarHBondContact O-N 3.45Å; C35-H37 VanDerWaalsContact C-N 3.27Å; C35-H37 PolarHBondContact O-N 2.85Å
38	S	78.2	Confident	92.4	Very high	84 Å²	84	63.8 Å²	63.8	59%	0.587	34%	0.339	S	S	*	.	S	Bend	trans	59.5	62	173.9	-55.2	0	0	0	0	117.1
39	T	87.6	Confident	92.3	Very high	18 Å²	18	65 Å²	65	11%	0.11	35%	0.348	C	S	.	.			trans	-91	-15	173.5	49.8	0	0	0	0	115.1	V31 F36 S41 S42 Y46	V31-T39 HydrophobicContact CG1-CG2 3.53Å; V31-T39 HydrophobicContact CG2-CG2 4.33Å; F36-T39 HydrophobicContact CD1-CG2 4.07Å; F36-T39 HydrophobicContact CD2-CG2 4.24Å; F36-T39 HydrophobicContact CE1-CG2 3.94Å; F36-T39 WeakPolarHBondContact CE1-OG1 3.38Å; F36-T39 HydrophobicContact CE2-CG2 4.14Å; F36-T39 HydrophobicContact CG-CG2 4.23Å; F36-T39 HydrophobicContact CZ-CG2 3.99Å; T39-S41 VanDerWaalsContact C-N 3.34Å; T39-S41 PolarHBondContact O-N 3.49Å; T39-S42 PolarHBondContact O-N 3Å; T39-S42 VanDerWaalsContact O-N 3.17Å; T39-Y46 HydrophobicContact CG2-CD2 4.1Å; T39-Y46 HydrophobicContact CG2-CG 4.05Å
40	D	81.8	Confident	92.2	Very high	142 Å²	142	65.2 Å²	65.2	76%	0.759	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-36.8	-167.5	-63.6	-66	0	0	0	114.5	S42 K121	D40-S42 VanDerWaalsContact C-N 3.28Å; D40-S42 PolarHBondContact O-N 2.68Å; D40-K121 PolarHBondContact O-NZ 3.34Å
41	S	84.9	Confident	92.1	Very high	117 Å²	117	60 Å²	60	82%	0.818	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-10.3	-178.8	53.4	0	0	0	0	114.5	T39	T39-S41 VanDerWaalsContact C-N 3.34Å; T39-S41 PolarHBondContact O-N 3.49Å
42	S	90	Very high	91.9	Very high	33 Å²	33	63.8 Å²	63.8	23%	0.231	35%	0.349	C	S	.	.			trans	-75.2	147.9	-177.9	-169.1	0	0	0	0	113	T39 D40 Y44 Y46 K121	T39-S42 PolarHBondContact O-N 3Å; T39-S42 VanDerWaalsContact O-N 3.17Å; D40-S42 VanDerWaalsContact C-N 3.28Å; D40-S42 PolarHBondContact O-N 2.68Å; S42-Y44 VanDerWaalsContact C-N 3.27Å; S42-Y44 PolarHBondContact OG-N 2.74Å; S42-Y46 WeakPolarHBondContact OG-CE2 3.35Å; S42-K121 WeakPolarHBondContact O-CD 3.4Å; S42-K121 PolarHBondContact O-NZ 3.41Å
43	T	92.6	Very high	91.6	Very high	111 Å²	111	66.1 Å²	66.1	68%	0.681	37%	0.372	S	S	*	.	S	Bend	trans	-69.3	-22.8	168.3	47.1	0	0	0	0	113.1	K121	T43-K121 VanDerWaalsContact O-CB 3.28Å; T43-K121 WeakPolarHBondContact O-CB 3.35Å
44	Y	95.2	Very high	91.4	Very high	69 Å²	69	68.8 Å²	68.8	27%	0.271	39%	0.385	S	S	.	.	S	Bend	trans	-83.3	150.5	178	-57.6	-41.6	0	0	0	112.1	L24 S42 F118 K121	L24-Y44 HydrophobicContact CD2-CD1 3.94Å; L24-Y44 HydrophobicContact CD2-CD2 3.85Å; L24-Y44 HydrophobicContact CD2-CE1 3.73Å; L24-Y44 HydrophobicContact CD2-CE2 3.63Å; L24-Y44 HydrophobicContact CD2-CG 4.02Å; S42-Y44 VanDerWaalsContact C-N 3.27Å; S42-Y44 PolarHBondContact OG-N 2.74Å; Y44-F118 WeakPolarHBondContact CA-O 3.38Å; Y44-F118 WeakPolarHBondContact CB-O 3.24Å; Y44-K121 WeakPolarHBondContact O-CD 3.23Å
45	G	96.3	Very high	91.2	Very high	1 Å²	1	68 Å²	68	1%	0.01	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	126.7	165.7	0	0	0	0	0	109.4	A117 F118	G45-A117 CarbonylContact O-C 3.45Å; G45-A117 WeakPolarHBondContact O-CA 3.46Å; G45-F118 PolarHBondContact N-O 3.02Å; G45-F118 PolarHBondContact O-N 3.09Å
46	Y	96.6	Very high	91.2	Very high	35 Å²	35	71.7 Å²	71.7	14%	0.137	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.1	175.9	-77.5	-80.4	0	0	0	110.4	V31 T39 S42 V115 C116 A117	V31-Y46 HydrophobicContact CB-CD1 4.39Å; V31-Y46 HydrophobicContact CB-CE1 4.06Å; V31-Y46 HydrophobicContact CG1-CD1 4.21Å; V31-Y46 HydrophobicContact CG1-CE1 4.38Å; V31-Y46 HydrophobicContact CG2-CD1 4.22Å; V31-Y46 HydrophobicContact CG2-CE1 3.61Å; V31-Y46 HydrophobicContact CG2-CE2 4.37Å; T39-Y46 HydrophobicContact CG2-CD2 4.1Å; T39-Y46 HydrophobicContact CG2-CG 4.05Å; S42-Y46 WeakPolarHBondContact OG-CE2 3.35Å; Y46-V115 HydrophobicContact CD1-CG1 3.96Å; Y46-C116 WeakPolarHBondContact CA-O 3.27Å; Y46-A117 HydrophobicContact CD1-CB 3.99Å; Y46-A117 HydrophobicContact CE1-CB 3.54Å
47	L	96.3	Very high	91.1	Very high	5 Å²	5	75.4 Å²	75.4	3%	0.026	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147.5	169.1	-62	-174.5	0	0	0	110.2	W65 D87 Q90 V115 C116 F118	L47-W65 HydrophobicContact CB-CD2 4.1Å; L47-W65 HydrophobicContact CB-CE3 4.35Å; L47-W65 HydrophobicContact CB-CH2 3.85Å; L47-W65 HydrophobicContact CB-CZ2 3.54Å; L47-W65 HydrophobicContact CB-CZ3 4.24Å; L47-W65 HydrophobicContact CD1-CB 4.28Å; L47-W65 HydrophobicContact CD1-CD2 3.76Å; L47-W65 HydrophobicContact CD1-CE3 3.91Å; L47-W65 HydrophobicContact CD1-CG 3.96Å; L47-W65 HydrophobicContact CD1-CZ3 4.45Å; L47-D87 HydrophobicContact CD2-CB 4.38Å; L47-Q90 HydrophobicContact CD1-CB 4.41Å; L47-Q90 HydrophobicContact CD1-CG 4.3Å; L47-Q90 HydrophobicContact CD2-CB 3.97Å; L47-Q90 HydrophobicContact CD2-CG 3.98Å; L47-Q90 HydrophobicContact CG-CB 4.4Å; L47-Q90 HydrophobicContact CG-CG 4.03Å; L47-V115 WeakPolarHBondContact O-CA 3.31Å; L47-C116 PolarHBondContact N-O 3.16Å; L47-C116 PolarHBondContact O-N 3.04Å; L47-F118 HydrophobicContact CB-CE2 4.15Å; L47-F118 HydrophobicContact CD1-CE2 3.72Å; L47-F118 HydrophobicContact CD1-CZ 3.9Å; L47-F118 HydrophobicContact CG-CD2 4.46Å; L47-F118 HydrophobicContact CG-CE2 3.79Å; L47-F118 HydrophobicContact CG-CZ 4.47Å
48	K	95.3	Very high	91.4	Very high	98 Å²	98	73.2 Å²	73.2	43%	0.426	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	152.5	172	56.5	172.3	166.6	-169.2	0	111.8	F36 W65 L113 F114	F36-K48 HydrophobicContact CB-CD 4.04Å; F36-K48 HydrophobicContact CD1-CD 3.63Å; F36-K48 HydrophobicContact CD1-CG 4.19Å; F36-K48 HydrophobicContact CD2-CB 3.71Å; F36-K48 HydrophobicContact CD2-CD 4.09Å; F36-K48 HydrophobicContact CD2-CG 4.15Å; F36-K48 HydrophobicContact CE1-CD 4Å; F36-K48 HydrophobicContact CE1-CG 4.1Å; F36-K48 HydrophobicContact CE2-CB 3.68Å; F36-K48 HydrophobicContact CE2-CD 4.41Å; F36-K48 HydrophobicContact CE2-CG 4.04Å; F36-K48 HydrophobicContact CG-CB 4.2Å; F36-K48 HydrophobicContact CG-CD 3.68Å; F36-K48 HydrophobicContact CG-CG 4.21Å; F36-K48 HydrophobicContact CZ-CB 4.16Å; F36-K48 HydrophobicContact CZ-CD 4.36Å; F36-K48 HydrophobicContact CZ-CG 4.01Å; K48-W65 PolarHBondContact O-NE1 3.37Å; K48-W65 VanDerWaalsContact O-NE1 3.07Å; K48-L113 HydrophobicContact CB-CD1 3.96Å; K48-L113 HydrophobicContact CD-CD1 4.39Å; K48-F114 CarbonylContact C-O 3.48Å; K48-F114 VanDerWaalsContact CA-O 3.25Å; K48-F114 WeakPolarHBondContact CA-O 3.46Å
49	S	94.7	Very high	92.1	Very high	25 Å²	25	74.1 Å²	74.1	18%	0.175	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	150.1	164.7	-165.7	0	0	0	0	108.9	V61 F114	S49-V61 VanDerWaalsContact CB-CG1 3.41Å; S49-F114 PolarHBondContact N-O 3.26Å; S49-F114 PolarHBondContact O-N 2.86Å
50	T	94.5	Very high	92.5	Very high	75 Å²	75	76.7 Å²	76.7	46%	0.46	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	130.6	-168	54.4	0	0	0	0	111	P110 Y112 L113	T50-P110 HydrophobicContact CG2-CG 4.27Å; T50-Y112 VanDerWaalsContact CA-O 3.27Å; T50-Y112 WeakPolarHBondContact CA-O 3.45Å; T50-L113 HydrophobicContact CG2-CB 4.42Å; T50-L113 HydrophobicContact CG2-CD1 3.57Å
51	W	93.7	Very high	93.2	Very high	7 Å²	7	70 Å²	70	3%	0.027	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	167.5	179.9	67.5	90.8	0	0	0	113.1	E54 F55 K57 V61 D111 Y112 F114	W51-E54 PolarHBondContact NE1-O 2.95Å; W51-F55 WeakPolarHBondContact CZ2-O 3.42Å; W51-K57 HydrophobicContact CB-CD 3.85Å; W51-K57 HydrophobicContact CD2-CB 4.3Å; W51-K57 HydrophobicContact CD2-CD 4.38Å; W51-K57 HydrophobicContact CD2-CG 4.22Å; W51-K57 HydrophobicContact CG-CB 4.28Å; W51-K57 HydrophobicContact CG-CD 3.74Å; W51-K57 HydrophobicContact CG-CG 4.09Å; W51-V61 HydrophobicContact CE3-CG2 4.25Å; W51-V61 HydrophobicContact CH2-CG2 4.36Å; W51-V61 HydrophobicContact CZ3-CG2 3.7Å; W51-D111 PolarHBondContact O-N 3.27Å; W51-Y112 HydrophobicContact CZ2-CG 4.17Å; W51-Y112 PolarHBondContact N-O 3.12Å; W51-Y112 VanDerWaalsContact N-O 3.08Å; W51-Y112 AromaticContact NE1-CD2 3.67Å; W51-Y112 AromaticContact NE1-CG 3.95Å; W51-Y112 PolarHBondContact O-N 3.4Å; W51-F114 HydrophobicContact CH2-CB 3.57Å; W51-F114 HydrophobicContact CH2-CD2 4.37Å; W51-F114 HydrophobicContact CH2-CG 4.07Å; W51-F114 HydrophobicContact CZ3-CB 3.47Å; W51-F114 VanDerWaalsContact CZ3-CB 3.47Å; W51-F114 HydrophobicContact CZ3-CG 4.2Å
52	Q	92.1	Very high	93.7	Very high	101 Å²	101	65.7 Å²	65.7	47%	0.472	34%	0.338	S	S	.	.	S	Bend	trans	-111.7	158.7	172.5	-59.4	-161.9	-90.3	0	0	110.4	P110 D111	Q52-P110 HydrophobicContact CG-CB 3.59Å; Q52-D111 WeakPolarHBondContact CA-OD2 2.95Å; Q52-D111 VanDerWaalsContact CB-OD2 3.23Å; Q52-D111 WeakPolarHBondContact CB-OD2 3.36Å; Q52-D111 WeakPolarHBondContact CG-OD1 3.27Å; Q52-D111 PolarHBondContact NE2-OD1 3.3Å
53	G	88.7	Confident	94	Very high	48 Å²	48	65.7 Å²	65.7	50%	0.495	34%	0.341	S	S	.	.	S	Bend	trans	86.8	-130.3	179.3	0	0	0	0	0	113.7	D111 Y112	G53-D111 PolarHBondContact N-OD2 3.23Å; G53-Y112 WeakPolarHBondContact O-CE2 3.47Å
54	E	90.3	Very high	94.1	Very high	161 Å²	161	64.6 Å²	64.6	75%	0.752	33%	0.334	S	S	*	.			trans	-70.5	138.2	-167	-63.1	177.5	143.9	0	0	113.5	W51 E56	W51-E54 PolarHBondContact NE1-O 2.95Å; E54-E56 PolarHBondContact O-N 3.44Å
55	F	89.7	Confident	94.2	Very high	78 Å²	78	61.6 Å²	61.6	34%	0.342	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-59.6	-43.8	177.2	173.7	-117.4	0	0	0	112.3	W51 K57 Y58 Y103 Y112	W51-F55 WeakPolarHBondContact CZ2-O 3.42Å; F55-K57 PolarHBondContact O-N 2.98Å; F55-Y58 HydrophobicContact CD1-CD1 4.08Å; F55-Y58 HydrophobicContact CD1-CE1 4.03Å; F55-Y58 HydrophobicContact CD2-CD1 4.41Å; F55-Y58 AromaticContact CE1-CD1 3.76Å; F55-Y58 HydrophobicContact CE1-CD1 3.76Å; F55-Y58 AromaticContact CE1-CE1 3.53Å; F55-Y58 HydrophobicContact CE1-CE1 3.53Å; F55-Y58 HydrophobicContact CE2-CD1 4.12Å; F55-Y58 HydrophobicContact CG-CD1 4.39Å; F55-Y58 AromaticContact CZ-CD1 3.79Å; F55-Y58 HydrophobicContact CZ-CD1 3.79Å; F55-Y58 AromaticContact CZ-CE1 3.89Å; F55-Y58 HydrophobicContact CZ-CE1 3.89Å; F55-Y58 WeakPolarHBondContact O-CD1 3.46Å; F55-Y58 PolarHBondContact O-N 3.31Å; F55-Y103 AromaticContact CE2-CD1 3.79Å; F55-Y103 HydrophobicContact CE2-CD1 3.79Å; F55-Y103 HydrophobicContact CE2-CD2 4.44Å; F55-Y103 AromaticContact CE2-CE1 3.67Å; F55-Y103 HydrophobicContact CE2-CE1 3.67Å; F55-Y103 HydrophobicContact CE2-CE2 4.34Å; F55-Y103 HydrophobicContact CE2-CG 4.19Å; F55-Y103 AromaticContact CE2-CZ 3.97Å; F55-Y103 HydrophobicContact CZ-CD1 4.3Å; F55-Y103 AromaticContact CZ-CE1 3.95Å; F55-Y103 HydrophobicContact CZ-CE1 3.95Å; F55-Y112 HydrophobicContact CB-CE1 4.3Å; F55-Y112 HydrophobicContact CD2-CD1 4.03Å; F55-Y112 AromaticContact CD2-CE1 3.58Å; F55-Y112 HydrophobicContact CD2-CE1 3.58Å; F55-Y112 HydrophobicContact CE2-CE1 4.42Å; F55-Y112 HydrophobicContact CG-CE1 4.37Å
56	E	93.1	Very high	94.1	Very high	138 Å²	138	61.9 Å²	61.9	65%	0.645	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-58	-16.5	-171.6	-61.7	-164.9	165.8	0	0	114.9	E54 Y58 L59	E54-E56 PolarHBondContact O-N 3.44Å; E56-Y58 PolarHBondContact O-N 3.47Å; E56-L59 HydrophobicContact CB-CD1 4.48Å; E56-L59 VanDerWaalsContact O-CB 3.27Å; E56-L59 WeakPolarHBondContact O-CB 3.28Å; E56-L59 WeakPolarHBondContact O-CG 3.43Å; E56-L59 PolarHBondContact O-N 3.39Å
57	K	93	Very high	94	Very high	108 Å²	108	64.5 Å²	64.5	47%	0.47	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-55.3	-18.6	171.2	-175.7	166	172.8	178	0	113.5	W51 F55 L59 T60	W51-K57 HydrophobicContact CB-CD 3.85Å; W51-K57 HydrophobicContact CD2-CB 4.3Å; W51-K57 HydrophobicContact CD2-CD 4.38Å; W51-K57 HydrophobicContact CD2-CG 4.22Å; W51-K57 HydrophobicContact CG-CB 4.28Å; W51-K57 HydrophobicContact CG-CD 3.74Å; W51-K57 HydrophobicContact CG-CG 4.09Å; F55-K57 PolarHBondContact O-N 2.98Å; K57-L59 PolarHBondContact O-N 3.03Å; K57-L59 VanDerWaalsContact O-N 3.12Å; K57-T60 PolarHBondContact O-N 3.42Å; K57-T60 PolarHBondContact O-OG1 3.17Å
58	Y	93.8	Very high	93.9	Very high	83 Å²	83	65.7 Å²	65.7	33%	0.325	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-53.3	-30	168.2	85.8	-96.4	0	0	0	112.9	F55 E56 T60 V61 P62	F55-Y58 HydrophobicContact CD1-CD1 4.08Å; F55-Y58 HydrophobicContact CD1-CE1 4.03Å; F55-Y58 HydrophobicContact CD2-CD1 4.41Å; F55-Y58 AromaticContact CE1-CD1 3.76Å; F55-Y58 HydrophobicContact CE1-CD1 3.76Å; F55-Y58 AromaticContact CE1-CE1 3.53Å; F55-Y58 HydrophobicContact CE1-CE1 3.53Å; F55-Y58 HydrophobicContact CE2-CD1 4.12Å; F55-Y58 HydrophobicContact CG-CD1 4.39Å; F55-Y58 AromaticContact CZ-CD1 3.79Å; F55-Y58 HydrophobicContact CZ-CD1 3.79Å; F55-Y58 AromaticContact CZ-CE1 3.89Å; F55-Y58 HydrophobicContact CZ-CE1 3.89Å; F55-Y58 WeakPolarHBondContact O-CD1 3.46Å; F55-Y58 PolarHBondContact O-N 3.31Å; E56-Y58 PolarHBondContact O-N 3.47Å; Y58-T60 VanDerWaalsContact C-N 3.25Å; Y58-T60 PolarHBondContact O-N 2.9Å; Y58-V61 WeakPolarHBondContact O-CB 3.26Å; Y58-V61 PolarHBondContact O-N 2.77Å; Y58-P62 WeakPolarHBondContact O-CD 3.48Å
59	L	94.3	Very high	93.7	Very high	103 Å²	103	64.5 Å²	64.5	54%	0.539	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-65.5	-24.5	178.2	-66	170.3	0	0	0	113.3	E56 K57	E56-L59 HydrophobicContact CB-CD1 4.48Å; E56-L59 VanDerWaalsContact O-CB 3.27Å; E56-L59 WeakPolarHBondContact O-CB 3.28Å; E56-L59 WeakPolarHBondContact O-CG 3.43Å; E56-L59 PolarHBondContact O-N 3.39Å; K57-L59 PolarHBondContact O-N 3.03Å; K57-L59 VanDerWaalsContact O-N 3.12Å
60	T	95	Very high	93.6	Very high	73 Å²	73	70.8 Å²	70.8	45%	0.448	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-24.1	178.2	67.8	0	0	0	0	112.7	K57 Y58 P62 A63 T64	K57-T60 PolarHBondContact O-N 3.42Å; K57-T60 PolarHBondContact O-OG1 3.17Å; Y58-T60 VanDerWaalsContact C-N 3.25Å; Y58-T60 PolarHBondContact O-N 2.9Å; T60-P62 VanDerWaalsContact C-CD 3.49Å; T60-A63 WeakPolarHBondContact O-CB 3.31Å; T60-A63 PolarHBondContact O-N 2.74Å; T60-T64 PolarHBondContact O-N 2.96Å; T60-T64 VanDerWaalsContact O-N 3.08Å; T60-T64 PolarHBondContact O-OG1 2.94Å
61	V	96.1	Very high	93.6	Very high	2 Å²	2	68.7 Å²	68.7	1%	0.012	36%	0.363	C	S	.	.	H	α-helix	trans	-53.8	-42.5	-174.6	175.8	0	0	0	0	113.7	S49 W51 Y58 A63 T64 W65 F114	S49-V61 VanDerWaalsContact CB-CG1 3.41Å; W51-V61 HydrophobicContact CE3-CG2 4.25Å; W51-V61 HydrophobicContact CH2-CG2 4.36Å; W51-V61 HydrophobicContact CZ3-CG2 3.7Å; Y58-V61 WeakPolarHBondContact O-CB 3.26Å; Y58-V61 PolarHBondContact O-N 2.77Å; V61-A63 PolarHBondContact O-N 3.27Å; V61-T64 WeakPolarHBondContact O-CB 3.34Å; V61-T64 PolarHBondContact O-N 2.83Å; V61-T64 VanDerWaalsContact O-N 3.12Å; V61-W65 HydrophobicContact CG1-CD2 3.65Å; V61-W65 VanDerWaalsContact CG1-CE2 3.43Å; V61-W65 HydrophobicContact CG1-CE3 3.83Å; V61-W65 HydrophobicContact CG1-CG 4.43Å; V61-W65 HydrophobicContact CG1-CH2 3.62Å; V61-W65 HydrophobicContact CG1-CZ2 3.42Å; V61-W65 VanDerWaalsContact CG1-CZ2 3.42Å; V61-W65 HydrophobicContact CG1-CZ3 3.82Å; V61-W65 PolarHBondContact O-N 2.91Å; V61-F114 HydrophobicContact CB-CD1 4.46Å; V61-F114 HydrophobicContact CB-CE1 4.48Å; V61-F114 HydrophobicContact CG1-CD1 3.99Å; V61-F114 HydrophobicContact CG1-CE1 4.13Å
62	P	96.4	Very high	93.6	Very high	25 Å²	25	68.8 Å²	68.8	16%	0.162	36%	0.364	C	S	.	.	H	α-helix	trans	-61.8	-28.8	177.3	-24.5	35.1	0	0	0	114.3	M1 E4 Y58 T60 A66	M1-P62 HydrophobicContact CB-CB 4.42Å; M1-P62 HydrophobicContact SD-CB 3.93Å; E4-P62 HydrophobicContact CG-CB 4.33Å; Y58-P62 WeakPolarHBondContact O-CD 3.48Å; T60-P62 VanDerWaalsContact C-CD 3.49Å; P62-A66 WeakPolarHBondContact O-CB 3.32Å; P62-A66 PolarHBondContact O-N 3.17Å
63	A	96	Very high	93.7	Very high	34 Å²	34	66.3 Å²	66.3	28%	0.281	35%	0.354	S	S	.	.	H	α-helix	trans	-81.2	-34.2	175.4	0	0	0	0	0	111.3	E4 T60 V61 T67	E4-A63 HydrophobicContact CG-CB 4.4Å; T60-A63 WeakPolarHBondContact O-CB 3.31Å; T60-A63 PolarHBondContact O-N 2.74Å; V61-A63 PolarHBondContact O-N 3.27Å; A63-T67 WeakPolarHBondContact O-CB 3.42Å; A63-T67 PolarHBondContact O-N 3.07Å; A63-T67 VanDerWaalsContact O-N 3.09Å; A63-T67 PolarHBondContact O-OG1 3.1Å
64	T	95.3	Very high	93.8	Very high	88 Å²	88	66.6 Å²	66.6	54%	0.54	35%	0.346	S	S	.	.	H	α-helix	trans	-59.4	-49.7	171.5	-51.5	0	0	0	0	111.3	T60 V61	T60-T64 PolarHBondContact O-N 2.96Å; T60-T64 VanDerWaalsContact O-N 3.08Å; T60-T64 PolarHBondContact O-OG1 2.94Å; V61-T64 WeakPolarHBondContact O-CB 3.34Å; V61-T64 PolarHBondContact O-N 2.83Å; V61-T64 VanDerWaalsContact O-N 3.12Å
65	W	96.3	Very high	93.7	Very high	5 Å²	5	66.9 Å²	66.9	2%	0.019	35%	0.348	C	S	.	.	H	α-helix	trans	-67.6	-41.2	178	-64.4	-36.1	0	0	0	112.5	L47 K48 V61 T67 D87 F88 S91 F114 C116	L47-W65 HydrophobicContact CB-CD2 4.1Å; L47-W65 HydrophobicContact CB-CE3 4.35Å; L47-W65 HydrophobicContact CB-CH2 3.85Å; L47-W65 HydrophobicContact CB-CZ2 3.54Å; L47-W65 HydrophobicContact CB-CZ3 4.24Å; L47-W65 HydrophobicContact CD1-CB 4.28Å; L47-W65 HydrophobicContact CD1-CD2 3.76Å; L47-W65 HydrophobicContact CD1-CE3 3.91Å; L47-W65 HydrophobicContact CD1-CG 3.96Å; L47-W65 HydrophobicContact CD1-CZ3 4.45Å; K48-W65 PolarHBondContact O-NE1 3.37Å; K48-W65 VanDerWaalsContact O-NE1 3.07Å; V61-W65 HydrophobicContact CG1-CD2 3.65Å; V61-W65 VanDerWaalsContact CG1-CE2 3.43Å; V61-W65 HydrophobicContact CG1-CE3 3.83Å; V61-W65 HydrophobicContact CG1-CG 4.43Å; V61-W65 HydrophobicContact CG1-CH2 3.62Å; V61-W65 HydrophobicContact CG1-CZ2 3.42Å; V61-W65 VanDerWaalsContact CG1-CZ2 3.42Å; V61-W65 HydrophobicContact CG1-CZ3 3.82Å; V61-W65 PolarHBondContact O-N 2.91Å; W65-T67 VanDerWaalsContact C-N 3.29Å; W65-T67 PolarHBondContact O-N 3.33Å; W65-D87 HydrophobicContact CG-CB 4.47Å; W65-D87 PolarHBondContact NE1-OD2 3.34Å; W65-F88 WeakPolarHBondContact O-CA 3.01Å; W65-S91 VanDerWaalsContact C-OG 3.32Å; W65-S91 PolarHBondContact O-OG 2.93Å; W65-F114 AromaticContact CH2-CD1 3.84Å; W65-F114 HydrophobicContact CH2-CD1 3.84Å; W65-F114 AromaticContact CH2-CE1 3.71Å; W65-F114 HydrophobicContact CH2-CE1 3.71Å; W65-F114 HydrophobicContact CZ2-CD1 4.32Å; W65-F114 HydrophobicContact CZ3-CE1 4.18Å; W65-C116 HydrophobicContact CH2-CB 3.82Å; W65-C116 HydrophobicContact CZ3-CB 3.93Å
66	A	95.7	Very high	93.8	Very high	8 Å²	8	67.2 Å²	67.2	7%	0.066	36%	0.356	C	S	.	.	H	α-helix	trans	-81.8	1.3	-176.3	0	0	0	0	0	114.9	M1 E4 P62 F88 T92	M1-A66 HydrophobicContact CE-CB 3.96Å; E4-A66 HydrophobicContact CB-CB 3.44Å; E4-A66 VanDerWaalsContact CB-CB 3.44Å; E4-A66 HydrophobicContact CG-CB 4.28Å; P62-A66 WeakPolarHBondContact O-CB 3.32Å; P62-A66 PolarHBondContact O-N 3.17Å; A66-F88 VanDerWaalsContact O-CE2 3.31Å; A66-F88 WeakPolarHBondContact O-CE2 3.44Å; A66-T92 HydrophobicContact CB-CG2 4.24Å
67	T	94.4	Very high	93.7	Very high	89 Å²	89	61.3 Å²	61.3	55%	0.546	33%	0.329	S	S	.	.	S	Bend	trans	-95.8	121.5	173	-60	0	0	0	0	108.7	A63 W65 N69	A63-T67 WeakPolarHBondContact O-CB 3.42Å; A63-T67 PolarHBondContact O-N 3.07Å; A63-T67 VanDerWaalsContact O-N 3.09Å; A63-T67 PolarHBondContact O-OG1 3.1Å; W65-T67 VanDerWaalsContact C-N 3.29Å; W65-T67 PolarHBondContact O-N 3.33Å; T67-N69 PolarHBondContact O-N 3.29Å
68	P	93.7	Very high	93.6	Very high	30 Å²	30	62.3 Å²	62.3	20%	0.195	33%	0.333	C	S	.	.			trans	-69.2	133.4	176.8	24.2	-24	0	0	0	109.7	P9 F72 T74 F88	P9-P68 HydrophobicContact CG-CG 3.86Å; P68-F72 HydrophobicContact CB-CB 3.96Å; P68-F72 HydrophobicContact CB-CD1 3.64Å; P68-F72 HydrophobicContact CB-CG 4.14Å; P68-F72 HydrophobicContact CG-CD1 4.49Å; P68-T74 HydrophobicContact CB-CG2 4.47Å; P68-T74 HydrophobicContact CG-CG2 4.11Å; P68-F88 HydrophobicContact CB-CD1 4.19Å; P68-F88 HydrophobicContact CB-CD2 3.83Å; P68-F88 HydrophobicContact CB-CE1 4.16Å; P68-F88 HydrophobicContact CB-CE2 3.77Å; P68-F88 HydrophobicContact CB-CG 4.03Å; P68-F88 HydrophobicContact CB-CZ 3.94Å; P68-F88 VanDerWaalsContact CD-CE2 3.45Å; P68-F88 HydrophobicContact CG-CD2 4.27Å; P68-F88 HydrophobicContact CG-CE2 3.79Å; P68-F88 HydrophobicContact CG-CZ 4.03Å
69	N	91.6	Very high	93.6	Very high	73 Å²	73	60.2 Å²	60.2	39%	0.39	33%	0.33	S	S	.	.			trans	-87.4	-175.5	175.9	64.5	6.2	0	0	0	111	T67 D71 F72 Q84	T67-N69 PolarHBondContact O-N 3.29Å; N69-D71 PolarHBondContact O-N 3.25Å; N69-D71 WeakPolarHBondContact OD1-CB 3.12Å; N69-D71 PolarHBondContact OD1-N 2.75Å; N69-D71 VanDerWaalsContact OD1-N 3.11Å; N69-F72 PolarHBondContact O-N 3.15Å; N69-F72 PolarHBondContact OD1-N 3.11Å; N69-Q84 PolarHBondContact ND2-O 3.27Å
70	Q	92.8	Very high	93.4	Very high	158 Å²	158	60.7 Å²	60.7	74%	0.738	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-14.5	178.2	70.7	-177.1	12.8	0	0	114.8	K80	Q70-K80 WeakPolarHBondContact O-CE 2.98Å; Q70-K80 PolarHBondContact O-NZ 3.39Å
71	D	93.5	Very high	92.9	Very high	30 Å²	30	65.9 Å²	65.9	16%	0.16	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-17.3	-173.3	-71.9	-20.1	0	0	0	113.4	N69 C79 K80 G83 Q84	N69-D71 PolarHBondContact O-N 3.25Å; N69-D71 WeakPolarHBondContact OD1-CB 3.12Å; N69-D71 PolarHBondContact OD1-N 2.75Å; N69-D71 VanDerWaalsContact OD1-N 3.11Å; D71-C79 WeakPolarHBondContact O-CA 3.43Å; D71-K80 PolarHBondContact O-N 2.04Å; D71-G83 VanDerWaalsContact CG-CA 3.43Å; D71-G83 WeakPolarHBondContact OD2-CA 3.37Å; D71-Q84 PolarHBondContact OD2-N 3.06Å
72	F	94.5	Very high	92	Very high	9 Å²	9	71.5 Å²	71.5	4%	0.039	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	116.1	170.4	-175.8	-98.3	0	0	0	110.3	P68 N69 T74 M77 C85 F88 L89 P128	P68-F72 HydrophobicContact CB-CB 3.96Å; P68-F72 HydrophobicContact CB-CD1 3.64Å; P68-F72 HydrophobicContact CB-CG 4.14Å; P68-F72 HydrophobicContact CG-CD1 4.49Å; N69-F72 PolarHBondContact O-N 3.15Å; N69-F72 PolarHBondContact OD1-N 3.11Å; F72-T74 HydrophobicContact CD1-CG2 4.05Å; F72-T74 HydrophobicContact CE1-CG2 4.23Å; F72-T74 PolarHBondContact O-N 2.8Å; F72-M77 HydrophobicContact CE1-SD 4.13Å; F72-M77 VanDerWaalsContact CE2-C 3.5Å; F72-M77 HydrophobicContact CZ-CB 4.3Å; F72-M77 HydrophobicContact CZ-CE 4.45Å; F72-M77 HydrophobicContact CZ-SD 3.87Å; F72-C85 HydrophobicContact CB-CB 4.4Å; F72-F88 HydrophobicContact CB-CD1 4.34Å; F72-F88 AromaticContact CD1-CD1 3.91Å; F72-F88 HydrophobicContact CD1-CD1 3.91Å; F72-F88 AromaticContact CD1-CE1 3.58Å; F72-F88 HydrophobicContact CD1-CE1 3.58Å; F72-F88 HydrophobicContact CD1-CZ 4.3Å; F72-F88 AromaticContact CD2-CD1 3.79Å; F72-F88 HydrophobicContact CD2-CD1 3.79Å; F72-F88 HydrophobicContact CD2-CE1 4.02Å; F72-F88 HydrophobicContact CE1-CD1 4.1Å; F72-F88 AromaticContact CE1-CE1 3.38Å; F72-F88 HydrophobicContact CE1-CE1 3.38Å; F72-F88 HydrophobicContact CE1-CZ 4.08Å; F72-F88 HydrophobicContact CE2-CD1 4.01Å; F72-F88 AromaticContact CE2-CE1 3.86Å; F72-F88 HydrophobicContact CE2-CE1 3.86Å; F72-F88 AromaticContact CG-CD1 3.73Å; F72-F88 HydrophobicContact CG-CD1 3.73Å; F72-F88 AromaticContact CG-CE1 3.88Å; F72-F88 HydrophobicContact CG-CE1 3.88Å; F72-F88 HydrophobicContact CZ-CD1 4.16Å; F72-F88 AromaticContact CZ-CE1 3.53Å; F72-F88 HydrophobicContact CZ-CE1 3.53Å; F72-L89 HydrophobicContact CD2-CD2 4.09Å; F72-L89 HydrophobicContact CE2-CD2 3.74Å; F72-P128 HydrophobicContact CE2-CG 4.11Å; F72-P128 HydrophobicContact CZ-CG 3.95Å
73	D	92.7	Very high	91.1	Very high	50 Å²	50	71 Å²	71	27%	0.267	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	110.8	168.4	171.9	28.5	0	0	0	109.9	E75 T76 M77 K78	D73-E75 PolarHBondContact O-N 2.88Å; D73-E75 WeakPolarHBondContact OD1-CB 3.32Å; D73-E75 PolarHBondContact OD1-N 3.44Å; D73-T76 VanDerWaalsContact OD2-CB 3.23Å; D73-T76 WeakPolarHBondContact OD2-CB 3.01Å; D73-T76 VanDerWaalsContact OD2-CG2 3.22Å; D73-T76 WeakPolarHBondContact OD2-CG2 3.25Å; D73-T76 PolarHBondContact OD2-N 2.73Å; D73-T76 PolarHBondContact OD2-OG1 2.82Å; D73-M77 WeakPolarHBondContact O-CA 3.25Å; D73-M77 PolarHBondContact O-N 2.77Å; D73-K78 PolarHBondContact N-O 2.81Å; D73-K78 PolarHBondContact O-N 3.31Å
74	T	90.8	Very high	90.7	Very high	54 Å²	54	77.2 Å²	77.2	33%	0.331	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.7	176.9	71.4	0	0	0	0	112.7	P9 P68 F72 K131	P9-T74 HydrophobicContact CB-CG2 4.43Å; P68-T74 HydrophobicContact CB-CG2 4.47Å; P68-T74 HydrophobicContact CG-CG2 4.11Å; F72-T74 HydrophobicContact CD1-CG2 4.05Å; F72-T74 HydrophobicContact CE1-CG2 4.23Å; F72-T74 PolarHBondContact O-N 2.8Å; T74-K131 WeakPolarHBondContact O-CE 3.3Å; T74-K131 PolarHBondContact O-NZ 2.99Å
75	E	89	Confident	90.6	Very high	167 Å²	167	73.3 Å²	73.3	78%	0.78	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-56.9	-178.7	-65.4	-164.4	169.7	0	0	111.5	D73 M77	D73-E75 PolarHBondContact O-N 2.88Å; D73-E75 WeakPolarHBondContact OD1-CB 3.32Å; D73-E75 PolarHBondContact OD1-N 3.44Å; E75-M77 VanDerWaalsContact C-N 3.27Å; E75-M77 PolarHBondContact O-N 3.25Å
76	T	91.7	Very high	90.4	Very high	85 Å²	85	78.1 Å²	78.1	52%	0.521	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-7	177.6	63	0	0	0	0	114.4	D73 K78	D73-T76 VanDerWaalsContact OD2-CB 3.23Å; D73-T76 WeakPolarHBondContact OD2-CB 3.01Å; D73-T76 VanDerWaalsContact OD2-CG2 3.22Å; D73-T76 WeakPolarHBondContact OD2-CG2 3.25Å; D73-T76 PolarHBondContact OD2-N 2.73Å; D73-T76 PolarHBondContact OD2-OG1 2.82Å; T76-K78 PolarHBondContact O-N 2.82Å
77	M	92.1	Very high	90.3	Very high	14 Å²	14	81 Å²	81	7%	0.069	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	33.3	-176.8	-68.3	-72.9	-75.4	0	0	113.3	F72 D73 E75 V127 P128 Y129 K131	F72-M77 HydrophobicContact CE1-SD 4.13Å; F72-M77 VanDerWaalsContact CE2-C 3.5Å; F72-M77 HydrophobicContact CZ-CB 4.3Å; F72-M77 HydrophobicContact CZ-CE 4.45Å; F72-M77 HydrophobicContact CZ-SD 3.87Å; D73-M77 WeakPolarHBondContact O-CA 3.25Å; D73-M77 PolarHBondContact O-N 2.77Å; E75-M77 VanDerWaalsContact C-N 3.27Å; E75-M77 PolarHBondContact O-N 3.25Å; M77-V127 HydrophobicContact CB-CB 4.26Å; M77-V127 HydrophobicContact CB-CG1 3.92Å; M77-P128 HydrophobicContact CE-CG 3.9Å; M77-Y129 HydrophobicContact CE-CD1 3.95Å; M77-Y129 HydrophobicContact CE-CD2 3.61Å; M77-Y129 HydrophobicContact CE-CE1 3.75Å; M77-Y129 HydrophobicContact CE-CE2 3.42Å; M77-Y129 VanDerWaalsContact CE-CE2 3.42Å; M77-Y129 HydrophobicContact CE-CG 3.87Å; M77-Y129 VanDerWaalsContact CE-CZ 3.48Å; M77-Y129 WeakPolarHBondContact CE-O 3.02Å; M77-Y129 HydrophobicContact SD-CE2 4.28Å; M77-K131 HydrophobicContact CE-CG 4.38Å; M77-K131 HydrophobicContact CG-CD 4.4Å; M77-K131 HydrophobicContact CG-CG 4.44Å; M77-K131 HydrophobicContact SD-CD 4.33Å; M77-K131 HydrophobicContact SD-CG 4.11Å
78	K	91.4	Very high	90.4	Very high	128 Å²	128	77 Å²	77	56%	0.557	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	166.6	-174.7	-72.7	176.4	-179.2	-179.6	0	111.3	D73 T76	D73-K78 PolarHBondContact N-O 2.81Å; D73-K78 PolarHBondContact O-N 3.31Å; T76-K78 PolarHBondContact O-N 2.82Å
79	C	92	Very high	90.5	Very high	40 Å²	40	76.6 Å²	76.6	27%	0.27	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	151.8	172.9	-44.1	0	0	0	0	110.8	D71 C85	D71-C79 WeakPolarHBondContact O-CA 3.43Å; C79-C85 HydrophobicContact CB-CB 3.68Å; C79-C85 WeakPolarHBondContact CB-SG 3.29Å; C79-C85 WeakPolarHBondContact SG-CB 3.16Å; C79-C85 CovalentContact SG-SG 2Å; C79-C85 PolarHBondContact SG-SG 3.2Å
80	K	91.3	Very high	90.7	Very high	113 Å²	113	73.8 Å²	73.8	49%	0.491	39%	0.387	S	S	.	.			trans	-66	148.4	167	-63.2	173.1	-176.1	169.5	0	109.5	Q70 D71 S82 G83	Q70-K80 WeakPolarHBondContact O-CE 2.98Å; Q70-K80 PolarHBondContact O-NZ 3.39Å; D71-K80 PolarHBondContact O-N 2.04Å; K80-S82 PolarHBondContact O-N 3.19Å; K80-G83 PolarHBondContact O-N 3.37Å
81	D	84	Confident	90.9	Very high	182 Å²	182	66.2 Å²	66.2	97%	0.973	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.8	-167.8	-54.5	-78.9	0	0	0	115.2
82	S	76.6	Confident	91	Very high	120 Å²	120	64.8 Å²	64.8	84%	0.839	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.6	15.3	176.5	70	0	0	0	0	113.8	K80	K80-S82 PolarHBondContact O-N 3.19Å
83	G	77.9	Confident	91.2	Very high	15 Å²	15	64.8 Å²	64.8	16%	0.155	34%	0.344	C	S	.	.			trans	-94.8	144.5	-166.6	0	0	0	0	0	115	D71 K80 C85	D71-G83 VanDerWaalsContact CG-CA 3.43Å; D71-G83 WeakPolarHBondContact OD2-CA 3.37Å; K80-G83 PolarHBondContact O-N 3.37Å; G83-C85 PolarHBondContact O-N 2.96Å
84	Q	87.2	Confident	91.3	Very high	163 Å²	163	65.9 Å²	65.9	76%	0.762	35%	0.345	S	S	*	.			trans	-91.6	80	179.8	-63	-164.6	-61.7	0	0	111.4	N69 D71	N69-Q84 PolarHBondContact ND2-O 3.27Å; D71-Q84 PolarHBondContact OD2-N 3.06Å
85	C	93.4	Very high	91.5	Very high	6 Å²	6	67.1 Å²	67.1	4%	0.041	35%	0.346	C	S	.	.			trans	-108.9	-8.1	-174.4	69.2	0	0	0	0	115.3	F72 C79 G83 D87 F88 L89	F72-C85 HydrophobicContact CB-CB 4.4Å; C79-C85 HydrophobicContact CB-CB 3.68Å; C79-C85 WeakPolarHBondContact CB-SG 3.29Å; C79-C85 WeakPolarHBondContact SG-CB 3.16Å; C79-C85 CovalentContact SG-SG 2Å; C79-C85 PolarHBondContact SG-SG 3.2Å; G83-C85 PolarHBondContact O-N 2.96Å; C85-D87 VanDerWaalsContact C-N 3.26Å; C85-D87 PolarHBondContact O-N 3.2Å; C85-F88 WeakPolarHBondContact O-CA 3.24Å; C85-F88 WeakPolarHBondContact O-CB 3.35Å; C85-F88 PolarHBondContact O-N 3.03Å; C85-L89 PolarHBondContact O-N 3.42Å
86	D	92.3	Very high	91.7	Very high	106 Å²	106	63.8 Å²	63.8	57%	0.567	33%	0.326	S	S	*	.	H	α-helix	trans	-60.6	-33.8	-165	-66.7	-58.7	0	0	0	113.2	F88 L89 Q90	D86-F88 VanDerWaalsContact C-N 3.31Å; D86-F88 PolarHBondContact O-N 3.49Å; D86-L89 PolarHBondContact O-N 3.08Å; D86-Q90 VanDerWaalsContact O-CB 3.26Å; D86-Q90 WeakPolarHBondContact O-CB 3.49Å; D86-Q90 PolarHBondContact O-N 3.12Å
87	D	94.7	Very high	91.8	Very high	70 Å²	70	60 Å²	60	37%	0.374	30%	0.303	S	S	.	.	H	α-helix	trans	-56.9	-42.3	172.5	-79	23.6	0	0	0	112.5	L47 W65 C85 S91	L47-D87 HydrophobicContact CD2-CB 4.38Å; W65-D87 HydrophobicContact CG-CB 4.47Å; W65-D87 PolarHBondContact NE1-OD2 3.34Å; C85-D87 VanDerWaalsContact C-N 3.26Å; C85-D87 PolarHBondContact O-N 3.2Å; D87-S91 WeakPolarHBondContact O-CB 3.28Å; D87-S91 PolarHBondContact O-N 3.43Å; D87-S91 VanDerWaalsContact O-N 3.11Å; D87-S91 PolarHBondContact O-OG 3.4Å
88	F	95.7	Very high	92	Very high	5 Å²	5	63.1 Å²	63.1	2%	0.022	32%	0.317	C	S	.	.	H	α-helix	trans	-70.9	-47.3	175.7	177.1	-96.6	0	0	0	111.3	W65 A66 P68 F72 C85 D86 Q90 S91 T92 P128 Y129	W65-F88 WeakPolarHBondContact O-CA 3.01Å; A66-F88 VanDerWaalsContact O-CE2 3.31Å; A66-F88 WeakPolarHBondContact O-CE2 3.44Å; P68-F88 HydrophobicContact CB-CD1 4.19Å; P68-F88 HydrophobicContact CB-CD2 3.83Å; P68-F88 HydrophobicContact CB-CE1 4.16Å; P68-F88 HydrophobicContact CB-CE2 3.77Å; P68-F88 HydrophobicContact CB-CG 4.03Å; P68-F88 HydrophobicContact CB-CZ 3.94Å; P68-F88 VanDerWaalsContact CD-CE2 3.45Å; P68-F88 HydrophobicContact CG-CD2 4.27Å; P68-F88 HydrophobicContact CG-CE2 3.79Å; P68-F88 HydrophobicContact CG-CZ 4.03Å; F72-F88 HydrophobicContact CB-CD1 4.34Å; F72-F88 AromaticContact CD1-CD1 3.91Å; F72-F88 HydrophobicContact CD1-CD1 3.91Å; F72-F88 AromaticContact CD1-CE1 3.58Å; F72-F88 HydrophobicContact CD1-CE1 3.58Å; F72-F88 HydrophobicContact CD1-CZ 4.3Å; F72-F88 AromaticContact CD2-CD1 3.79Å; F72-F88 HydrophobicContact CD2-CD1 3.79Å; F72-F88 HydrophobicContact CD2-CE1 4.02Å; F72-F88 HydrophobicContact CE1-CD1 4.1Å; F72-F88 AromaticContact CE1-CE1 3.38Å; F72-F88 HydrophobicContact CE1-CE1 3.38Å; F72-F88 HydrophobicContact CE1-CZ 4.08Å; F72-F88 HydrophobicContact CE2-CD1 4.01Å; F72-F88 AromaticContact CE2-CE1 3.86Å; F72-F88 HydrophobicContact CE2-CE1 3.86Å; F72-F88 AromaticContact CG-CD1 3.73Å; F72-F88 HydrophobicContact CG-CD1 3.73Å; F72-F88 AromaticContact CG-CE1 3.88Å; F72-F88 HydrophobicContact CG-CE1 3.88Å; F72-F88 HydrophobicContact CZ-CD1 4.16Å; F72-F88 AromaticContact CZ-CE1 3.53Å; F72-F88 HydrophobicContact CZ-CE1 3.53Å; C85-F88 WeakPolarHBondContact O-CA 3.24Å; C85-F88 WeakPolarHBondContact O-CB 3.35Å; C85-F88 PolarHBondContact O-N 3.03Å; D86-F88 VanDerWaalsContact C-N 3.31Å; D86-F88 PolarHBondContact O-N 3.49Å; F88-Q90 PolarHBondContact O-N 3.32Å; F88-S91 PolarHBondContact O-N 2.83Å; F88-S91 PolarHBondContact O-OG 2.03Å; F88-T92 HydrophobicContact CD2-CG2 3.88Å; F88-T92 HydrophobicContact CE2-CG2 3.53Å; F88-T92 HydrophobicContact CZ-CG2 3.93Å; F88-T92 WeakPolarHBondContact O-CB 3.48Å; F88-T92 PolarHBondContact O-N 2.67Å; F88-T92 PolarHBondContact O-OG1 3.09Å; F88-P128 HydrophobicContact CE1-CG 4.18Å; F88-Y129 HydrophobicContact CE1-CE1 4.47Å; F88-Y129 HydrophobicContact CZ-CE1 4.07Å
89	L	95.8	Very high	92.3	Very high	21 Å²	21	57.9 Å²	57.9	11%	0.11	30%	0.295	C	S	.	.	H	α-helix	trans	-56.1	-51.6	178.9	-73.8	-171.1	0	0	0	112	F72 C85 D86 Y93 I122 P128	F72-L89 HydrophobicContact CD2-CD2 4.09Å; F72-L89 HydrophobicContact CE2-CD2 3.74Å; C85-L89 PolarHBondContact O-N 3.42Å; D86-L89 PolarHBondContact O-N 3.08Å; L89-Y93 WeakPolarHBondContact O-CB 3.45Å; L89-Y93 PolarHBondContact O-N 3.18Å; L89-I122 HydrophobicContact CB-CD1 4.11Å; L89-I122 HydrophobicContact CB-CG2 4.26Å; L89-P128 HydrophobicContact CD2-CB 4.17Å; L89-P128 HydrophobicContact CD2-CG 3.9Å
90	Q	96.2	Very high	92.6	Very high	13 Å²	13	56 Å²	56	6%	0.061	28%	0.282	C	S	.	.	H	α-helix	trans	-72.2	-37.8	-175.9	177.8	59.6	80.9	0	0	112.5	L47 D86 F88 F118 N120 K121 I122	L47-Q90 HydrophobicContact CD1-CB 4.41Å; L47-Q90 HydrophobicContact CD1-CG 4.3Å; L47-Q90 HydrophobicContact CD2-CB 3.97Å; L47-Q90 HydrophobicContact CD2-CG 3.98Å; L47-Q90 HydrophobicContact CG-CB 4.4Å; L47-Q90 HydrophobicContact CG-CG 4.03Å; D86-Q90 VanDerWaalsContact O-CB 3.26Å; D86-Q90 WeakPolarHBondContact O-CB 3.49Å; D86-Q90 PolarHBondContact O-N 3.12Å; F88-Q90 PolarHBondContact O-N 3.32Å; Q90-F118 HydrophobicContact CG-CD2 4.47Å; Q90-N120 PolarHBondContact NE2-O 2.78Å; Q90-K121 VanDerWaalsContact OE1-CA 3.28Å; Q90-I122 HydrophobicContact CB-CG2 4.08Å
91	S	96.7	Very high	93	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-73.8	-32.2	-179.8	69.8	0	0	0	0	112.7	R5 W65 D87 F88	R5-S91 PolarHBondContact NH1-O 3.24Å; W65-S91 VanDerWaalsContact C-OG 3.32Å; W65-S91 PolarHBondContact O-OG 2.93Å; D87-S91 WeakPolarHBondContact O-CB 3.28Å; D87-S91 PolarHBondContact O-N 3.43Å; D87-S91 VanDerWaalsContact O-N 3.11Å; D87-S91 PolarHBondContact O-OG 3.4Å; F88-S91 PolarHBondContact O-N 2.83Å; F88-S91 PolarHBondContact O-OG 2.03Å
92	T	96.3	Very high	93.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-95.3	3.8	177	66.6	0	0	0	0	114.2	V8 M15 A66 F88 Y94 P128	V8-T92 HydrophobicContact CG1-CG2 3.59Å; M15-T92 WeakPolarHBondContact CE-O 3.46Å; A66-T92 HydrophobicContact CB-CG2 4.24Å; F88-T92 HydrophobicContact CD2-CG2 3.88Å; F88-T92 HydrophobicContact CE2-CG2 3.53Å; F88-T92 HydrophobicContact CZ-CG2 3.93Å; F88-T92 WeakPolarHBondContact O-CB 3.48Å; F88-T92 PolarHBondContact O-N 2.67Å; F88-T92 PolarHBondContact O-OG1 3.09Å; T92-Y94 PolarHBondContact O-N 3.12Å; T92-Y94 VanDerWaalsContact O-N 3.16Å; T92-P128 WeakPolarHBondContact OG1-CB 3.16Å
93	Y	96.8	Very high	94.5	Very high	8 Å²	8	44 Å²	44	3%	0.031	21%	0.209	C	C	.	.			trans	-58.7	118	-179.3	-175.2	-141.9	0	0	0	112.1	R5 L89 K95 N120 I122 P123 I126 P128	R5-Y93 PolarHBondContact NH1-O 3.12Å; R5-Y93 PolarHBondContact NH2-O 2.92Å; L89-Y93 WeakPolarHBondContact O-CB 3.45Å; L89-Y93 PolarHBondContact O-N 3.18Å; Y93-K95 VanDerWaalsContact C-N 3.25Å; Y93-K95 HydrophobicContact CD1-CB 4.43Å; Y93-K95 HydrophobicContact CE1-CB 4.21Å; Y93-K95 HydrophobicContact CE1-CD 3.76Å; Y93-K95 HydrophobicContact CE1-CG 4.06Å; Y93-K95 PolarHBondContact O-N 2.98Å; Y93-K95 WeakPolarHBondContact OH-CD 3.44Å; Y93-K95 WeakPolarHBondContact OH-CE 3.46Å; Y93-K95 PolarHBondContact OH-NZ 2.76Å; Y93-K95 VanDerWaalsContact OH-NZ 3.1Å; Y93-N120 HydrophobicContact CD1-CB 4.27Å; Y93-N120 HydrophobicContact CE1-CB 4.13Å; Y93-I122 HydrophobicContact CD1-CB 3.94Å; Y93-I122 HydrophobicContact CD1-CG1 4.28Å; Y93-I122 HydrophobicContact CD2-CB 4.13Å; Y93-I122 HydrophobicContact CD2-CD1 3.52Å; Y93-I122 HydrophobicContact CD2-CG1 3.59Å; Y93-I122 HydrophobicContact CE1-CB 4.32Å; Y93-I122 HydrophobicContact CE1-CG1 4.45Å; Y93-I122 HydrophobicContact CE2-CD1 4.11Å; Y93-I122 HydrophobicContact CE2-CG1 3.81Å; Y93-I122 HydrophobicContact CG-CB 3.84Å; Y93-I122 HydrophobicContact CG-CD1 3.93Å; Y93-I122 HydrophobicContact CG-CG1 3.85Å; Y93-P123 WeakPolarHBondContact OH-CD 3.47Å; Y93-I126 HydrophobicContact CE2-CG2 4.24Å; Y93-P128 CarbonylContact C-O 3.58Å; Y93-P128 WeakPolarHBondContact CA-O 3.4Å
94	Y	95.4	Very high	95.3	Very high	74 Å²	74	43.9 Å²	43.9	29%	0.29	21%	0.205	S	C	.	.			trans	-59.1	-28.9	-161.7	74.8	-81.4	0	0	0	114.7	R5 N14 G16 T92 R96 P128	R5-Y94 PolarHBondContact NH2-O 2.69Å; N14-Y94 HydrophobicContact CB-CD2 4.26Å; G16-Y94 VanDerWaalsContact CA-O 3.3Å; G16-Y94 WeakPolarHBondContact CA-O 3.45Å; G16-Y94 PolarHBondContact N-O 2.89Å; T92-Y94 PolarHBondContact O-N 3.12Å; T92-Y94 VanDerWaalsContact O-N 3.16Å; Y94-R96 PolarHBondContact O-N 2.76Å; Y94-P128 WeakPolarHBondContact CB-O 3.18Å; Y94-P128 WeakPolarHBondContact CD1-O 3.21Å; Y94-P128 PolarHBondContact N-O 3.05Å
95	K	94.7	Very high	95.6	Very high	79 Å²	79	39.4 Å²	39.4	34%	0.343	19%	0.189	S	C	.	.	S	Bend	trans	-55.4	134.3	-176.8	-73.6	-173.9	178.2	163.3	0	111.3	R5 Y93 N120	R5-K95 PolarHBondContact NH2-O 3Å; Y93-K95 VanDerWaalsContact C-N 3.25Å; Y93-K95 HydrophobicContact CD1-CB 4.43Å; Y93-K95 HydrophobicContact CE1-CB 4.21Å; Y93-K95 HydrophobicContact CE1-CD 3.76Å; Y93-K95 HydrophobicContact CE1-CG 4.06Å; Y93-K95 PolarHBondContact O-N 2.98Å; Y93-K95 WeakPolarHBondContact OH-CD 3.44Å; Y93-K95 WeakPolarHBondContact OH-CE 3.46Å; Y93-K95 PolarHBondContact OH-NZ 2.76Å; Y93-K95 VanDerWaalsContact OH-NZ 3.1Å; K95-N120 HydrophobicContact CB-CB 4.42Å; K95-N120 HydrophobicContact CD-CB 4.5Å
96	R	93.3	Very high	95.5	Very high	97 Å²	97	47.2 Å²	47.2	37%	0.366	22%	0.223	S	C	.	.			trans	-56.7	150.8	160.8	170.5	171.6	-177.4	-109.2	-6.4	109.6	C17 Y94 N120 H151	C17-R96 WeakPolarHBondContact O-CA 3.36Å; C17-R96 WeakPolarHBondContact O-CG 3.36Å; Y94-R96 PolarHBondContact O-N 2.76Å; R96-N120 PolarHBondContact O-ND2 2.88Å; R96-H151 WeakPolarHBondContact CD-CD2 3.45Å; R96-H151 PolarHBondContact NE-CD2 2.99Å; R96-H151 PolarHBondContact NH1-CD2 3.34Å; R96-H151 PolarHBondContact NH1-CE1 2.99Å; R96-H151 VanDerWaalsContact NH1-CG 3.25Å; R96-H151 PolarHBondContact NH1-NE2 3.38Å
97	G	94.5	Very high	95.4	Very high	5 Å²	5	44 Å²	44	5%	0.052	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.9	-168.9	170.5	0	0	0	0	0	112.2	C17 L18 T19 E119	C17-G97 PolarHBondContact O-N 3Å; L18-G97 CarbonylContact C-O 3.53Å; L18-G97 VanDerWaalsContact CA-O 3.26Å; L18-G97 WeakPolarHBondContact CA-O 3.42Å; T19-G97 PolarHBondContact N-O 3.37Å; G97-E119 WeakPolarHBondContact CA-OE2 3.5Å
98	K	97	Very high	94.7	Very high	81 Å²	81	43.1 Å²	43.1	35%	0.352	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	153.2	176.5	-60.8	160.5	-158.7	137.2	0	111.6	T19 N21 L24 E119	T19-K98 CarbonylContact O-C 3.51Å; T19-K98 VanDerWaalsContact O-CA 3.23Å; T19-K98 WeakPolarHBondContact O-CA 3.42Å; N21-K98 HydrophobicContact CB-CB 3.76Å; N21-K98 HydrophobicContact CB-CD 4.05Å; N21-K98 HydrophobicContact CB-CG 4.11Å; L24-K98 HydrophobicContact CD1-CB 3.61Å; K98-E119 HydrophobicContact CB-CB 4.11Å; K98-E119 WeakPolarHBondContact CD-OE1 3.47Å; K98-E119 WeakPolarHBondContact CE-OE1 3.33Å; K98-E119 WeakPolarHBondContact CG-OE2 3.4Å; K98-E119 PolarHBondContact N-OE2 3.1Å; K98-E119 IonicContact NZ-OE1 2.65Å; K98-E119 PolarHBondContact NZ-OE1 3.43Å; K98-E119 WeakPolarHBondContact O-CB 3.25Å; K98-E119 PolarHBondContact O-N 3.29Å
99	I	97.8	Very high	93.9	Very high	17 Å²	17	52.9 Å²	52.9	9%	0.087	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	139.9	171	-169.2	178.8	0	0	0	109.6	M1 L18 T19 W20 N21 C116 A117 F118	M1-I99 HydrophobicContact CG-CD1 4.26Å; L18-I99 HydrophobicContact CB-CB 4.47Å; L18-I99 HydrophobicContact CB-CG2 4.03Å; L18-I99 HydrophobicContact CD1-CD1 4.38Å; T19-I99 PolarHBondContact O-N 2.91Å; W20-I99 CarbonylContact C-O 3.51Å; W20-I99 WeakPolarHBondContact CA-O 3.26Å; N21-I99 PolarHBondContact N-O 3.07Å; I99-C116 HydrophobicContact CD1-CB 4.23Å; I99-C116 HydrophobicContact CG1-CB 4.37Å; I99-A117 WeakPolarHBondContact CA-O 3.46Å; I99-A117 WeakPolarHBondContact CG1-O 3.4Å; I99-F118 HydrophobicContact CD1-CD1 4.09Å; I99-F118 HydrophobicContact CD1-CE1 3.59Å; I99-F118 HydrophobicContact CD1-CE2 4.17Å; I99-F118 HydrophobicContact CD1-CZ 3.63Å; I99-F118 HydrophobicContact CG1-CD1 4.25Å; I99-F118 HydrophobicContact CG1-CE1 4.24Å; I99-F118 HydrophobicContact CG1-CG 4.44Å; I99-F118 HydrophobicContact CG1-CZ 4.4Å
100	G	98.1	Very high	93	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	145.3	168.9	0	0	0	0	0	109.7	C116 A117	G100-C116 CarbonylContact O-C 3.49Å; G100-C116 WeakPolarHBondContact O-CA 3.5Å; G100-A117 PolarHBondContact N-O 2.98Å; G100-A117 PolarHBondContact O-N 2.91Å
101	C	97.9	Very high	92.5	Very high	26 Å²	26	56.1 Å²	56.1	18%	0.176	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	152.2	-174.4	-52	0	0	0	0	112.1	W20 F114 V115 C116	W20-C101 HydrophobicContact CH2-CB 4.34Å; W20-C101 VanDerWaalsContact CH2-N 3.33Å; W20-C101 HydrophobicContact CZ3-CB 4.17Å; C101-F114 HydrophobicContact CB-CE2 4.13Å; C101-F114 HydrophobicContact CB-CZ 3.81Å; C101-V115 CarbonylContact C-O 3.56Å; C101-V115 WeakPolarHBondContact CA-O 3.47Å; C101-V115 WeakPolarHBondContact CB-O 3.37Å; C101-C116 HydrophobicContact CB-CB 4.08Å; C101-C116 WeakPolarHBondContact CB-SG 3.03Å; C101-C116 WeakPolarHBondContact SG-CB 3.48Å; C101-C116 CovalentContact SG-SG 2.04Å; C101-C116 PolarHBondContact SG-SG 3.26Å
102	A	97.1	Very high	92.3	Very high	16 Å²	16	58.5 Å²	58.5	13%	0.132	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	172.3	178.2	0	0	0	0	0	110.9	A28 K29 F114 V115	A28-A102 HydrophobicContact CB-CB 4.21Å; K29-A102 VanDerWaalsContact CA-CB 3.44Å; K29-A102 HydrophobicContact CB-CB 3.62Å; A102-F114 WeakPolarHBondContact O-CD2 3.14Å; A102-V115 PolarHBondContact N-O 3.32Å; A102-V115 PolarHBondContact O-N 2.68Å
103	Y	95.3	Very high	92.3	Very high	121 Å²	121	59 Å²	59	48%	0.475	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	157.7	169	71.5	-85.2	0	0	0	111.3	F55 T105 Y112 L113	F55-Y103 AromaticContact CE2-CD1 3.79Å; F55-Y103 HydrophobicContact CE2-CD1 3.79Å; F55-Y103 HydrophobicContact CE2-CD2 4.44Å; F55-Y103 AromaticContact CE2-CE1 3.67Å; F55-Y103 HydrophobicContact CE2-CE1 3.67Å; F55-Y103 HydrophobicContact CE2-CE2 4.34Å; F55-Y103 HydrophobicContact CE2-CG 4.19Å; F55-Y103 AromaticContact CE2-CZ 3.97Å; F55-Y103 HydrophobicContact CZ-CD1 4.3Å; F55-Y103 AromaticContact CZ-CE1 3.95Å; F55-Y103 HydrophobicContact CZ-CE1 3.95Å; Y103-T105 HydrophobicContact CD2-CG2 4.12Å; Y103-T105 HydrophobicContact CE2-CG2 4.13Å; Y103-Y112 AromaticContact CD2-CD1 3.84Å; Y103-Y112 HydrophobicContact CD2-CD1 3.84Å; Y103-Y112 HydrophobicContact CD2-CE1 4.07Å; Y103-Y112 HydrophobicContact CE2-CD1 4.29Å; Y103-Y112 HydrophobicContact CE2-CE1 4.04Å; Y103-L113 CarbonylContact C-O 3.54Å; Y103-L113 WeakPolarHBondContact CA-O 3.4Å; Y103-L113 WeakPolarHBondContact CB-O 3.4Å
104	N	94.8	Very high	92.3	Very high	13 Å²	13	59.6 Å²	59.6	7%	0.07	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	141.9	170.9	-177.7	20.9	0	0	0	109.5	A32 E33 K106 C107 L113	A32-N104 HydrophobicContact CB-CB 3.83Å; A32-N104 VanDerWaalsContact O-CB 3.29Å; A32-N104 WeakPolarHBondContact O-CB 3.14Å; A32-N104 PolarHBondContact O-ND2 2.97Å; E33-N104 WeakPolarHBondContact CA-ND2 3.39Å; N104-K106 VanDerWaalsContact OD1-CB 3.31Å; N104-K106 WeakPolarHBondContact OD1-CB 3.25Å; N104-K106 WeakPolarHBondContact OD1-CG 3.36Å; N104-K106 PolarHBondContact OD1-N 2.91Å; N104-C107 PolarHBondContact ND2-SG 2.81Å; N104-L113 PolarHBondContact N-O 3.15Å; N104-L113 PolarHBondContact O-N 3.05Å
105	T	93.8	Very high	92.3	Very high	69 Å²	69	56 Å²	56	42%	0.423	27%	0.273	S	S	.	.	S	Bend	trans	-109.6	-3	177.1	59.1	0	0	0	0	112.8	Y103 C107 D111 Y112	Y103-T105 HydrophobicContact CD2-CG2 4.12Å; Y103-T105 HydrophobicContact CE2-CG2 4.13Å; T105-C107 VanDerWaalsContact C-N 3.33Å; T105-C107 PolarHBondContact O-N 2.03Å; T105-D111 VanDerWaalsContact CA-O 3.31Å; T105-D111 WeakPolarHBondContact CA-O 3.08Å; T105-D111 WeakPolarHBondContact CB-O 3.47Å; T105-D111 WeakPolarHBondContact CG2-O 3.26Å; T105-Y112 HydrophobicContact CG2-CD1 3.68Å; T105-Y112 HydrophobicContact CG2-CE1 3.6Å; T105-Y112 HydrophobicContact CG2-CG 4.4Å
106	K	90.7	Very high	92.5	Very high	171 Å²	171	52.4 Å²	52.4	74%	0.743	26%	0.258	S	S	*	.			trans	-83.5	-3.3	-175.4	-59.5	171.7	-177	169.3	0	114.1	N104 G108	N104-K106 VanDerWaalsContact OD1-CB 3.31Å; N104-K106 WeakPolarHBondContact OD1-CB 3.25Å; N104-K106 WeakPolarHBondContact OD1-CG 3.36Å; N104-K106 PolarHBondContact OD1-N 2.91Å; K106-G108 PolarHBondContact O-N 3.49Å; K106-G108 VanDerWaalsContact O-N 3.09Å
107	C	90.2	Very high	92.7	Very high	37 Å²	37	47.8 Å²	47.8	25%	0.25	24%	0.24	C	C	.	.	S	Bend	trans	-79.7	20.2	-175.3	-62.3	0	0	0	0	114.8	C35 N104 T105	C35-C107 WeakPolarHBondContact CA-SG 2.98Å; C35-C107 HydrophobicContact CB-CB 3.9Å; C35-C107 WeakPolarHBondContact CB-SG 3.13Å; C35-C107 WeakPolarHBondContact SG-CA 3.43Å; C35-C107 WeakPolarHBondContact SG-CB 3.48Å; C35-C107 CovalentContact SG-SG 2.04Å; C35-C107 PolarHBondContact SG-SG 3.28Å; N104-C107 PolarHBondContact ND2-SG 2.81Å; T105-C107 VanDerWaalsContact C-N 3.33Å; T105-C107 PolarHBondContact O-N 2.03Å
108	G	80.3	Confident	92.8	Very high	52 Å²	52	47.8 Å²	47.8	54%	0.536	24%	0.239	S	C	.	.	S	Bend	trans	76.5	-135.9	-174.4	0	0	0	0	0	111.7	K106	K106-G108 PolarHBondContact O-N 3.49Å; K106-G108 VanDerWaalsContact O-N 3.09Å
109	R	80.1	Confident	92.9	Very high	210 Å²	210	47 Å²	47	79%	0.792	24%	0.236	S	C	*	.	S	Bend	trans	-95.3	139.7	167.7	-78.7	-175.4	173.7	172.9	0.2	109.5
110	P	76.9	Confident	92.7	Very high	47 Å²	47	48.8 Å²	48.8	31%	0.305	25%	0.246	S	C	.	.	S	Bend	cis	-82.7	156.6	4.9	34	-36.3	0	0	0	114	T50 Q52 Y112	T50-P110 HydrophobicContact CG2-CG 4.27Å; Q52-P110 HydrophobicContact CG-CB 3.59Å; P110-Y112 PolarHBondContact O-N 2.98Å; P110-Y112 VanDerWaalsContact O-N 3.1Å
111	D	84.5	Confident	92.6	Very high	55 Å²	55	52.4 Å²	52.4	29%	0.294	26%	0.262	S	S	.	.	S	Bend	trans	-56.7	-29.8	-165.2	-35.9	-20.7	0	0	0	114.8	W51 Q52 G53 T105	W51-D111 PolarHBondContact O-N 3.27Å; Q52-D111 WeakPolarHBondContact CA-OD2 2.95Å; Q52-D111 VanDerWaalsContact CB-OD2 3.23Å; Q52-D111 WeakPolarHBondContact CB-OD2 3.36Å; Q52-D111 WeakPolarHBondContact CG-OD1 3.27Å; Q52-D111 PolarHBondContact NE2-OD1 3.3Å; G53-D111 PolarHBondContact N-OD2 3.23Å; T105-D111 VanDerWaalsContact CA-O 3.31Å; T105-D111 WeakPolarHBondContact CA-O 3.08Å; T105-D111 WeakPolarHBondContact CB-O 3.47Å; T105-D111 WeakPolarHBondContact CG2-O 3.26Å
112	Y	94	Very high	92.5	Very high	50 Å²	50	52.3 Å²	52.3	20%	0.196	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125.8	173.5	-68.2	-88.2	0	0	0	111.2	T50 W51 G53 F55 Y103 T105 P110	T50-Y112 VanDerWaalsContact CA-O 3.27Å; T50-Y112 WeakPolarHBondContact CA-O 3.45Å; W51-Y112 HydrophobicContact CZ2-CG 4.17Å; W51-Y112 PolarHBondContact N-O 3.12Å; W51-Y112 VanDerWaalsContact N-O 3.08Å; W51-Y112 AromaticContact NE1-CD2 3.67Å; W51-Y112 AromaticContact NE1-CG 3.95Å; W51-Y112 PolarHBondContact O-N 3.4Å; G53-Y112 WeakPolarHBondContact O-CE2 3.47Å; F55-Y112 HydrophobicContact CB-CE1 4.3Å; F55-Y112 HydrophobicContact CD2-CD1 4.03Å; F55-Y112 AromaticContact CD2-CE1 3.58Å; F55-Y112 HydrophobicContact CD2-CE1 3.58Å; F55-Y112 HydrophobicContact CE2-CE1 4.42Å; F55-Y112 HydrophobicContact CG-CE1 4.37Å; Y103-Y112 AromaticContact CD2-CD1 3.84Å; Y103-Y112 HydrophobicContact CD2-CD1 3.84Å; Y103-Y112 HydrophobicContact CD2-CE1 4.07Å; Y103-Y112 HydrophobicContact CE2-CD1 4.29Å; Y103-Y112 HydrophobicContact CE2-CE1 4.04Å; T105-Y112 HydrophobicContact CG2-CD1 3.68Å; T105-Y112 HydrophobicContact CG2-CE1 3.6Å; T105-Y112 HydrophobicContact CG2-CG 4.4Å; P110-Y112 PolarHBondContact O-N 2.98Å; P110-Y112 VanDerWaalsContact O-N 3.1Å
113	L	95.2	Very high	92.3	Very high	10 Å²	10	54.6 Å²	54.6	5%	0.052	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	115.3	158.2	168.9	64.4	0	0	0	108.4	C35 F36 K48 T50 Y103 N104 V115	C35-L113 HydrophobicContact CB-CD2 4.42Å; F36-L113 HydrophobicContact CB-CD2 4.37Å; K48-L113 HydrophobicContact CB-CD1 3.96Å; K48-L113 HydrophobicContact CD-CD1 4.39Å; T50-L113 HydrophobicContact CG2-CB 4.42Å; T50-L113 HydrophobicContact CG2-CD1 3.57Å; Y103-L113 CarbonylContact C-O 3.54Å; Y103-L113 WeakPolarHBondContact CA-O 3.4Å; Y103-L113 WeakPolarHBondContact CB-O 3.4Å; N104-L113 PolarHBondContact N-O 3.15Å; N104-L113 PolarHBondContact O-N 3.05Å; L113-V115 HydrophobicContact CD1-CG2 4.13Å; L113-V115 HydrophobicContact CD2-CG2 4.43Å; L113-V115 HydrophobicContact CG-CG2 4.03Å
114	F	96.1	Very high	91.9	Very high	21 Å²	21	59.1 Å²	59.1	9%	0.092	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.3	174	-179.3	-101.5	0	0	0	109.9	K48 S49 W51 V61 W65 C101 A102 C116	K48-F114 CarbonylContact C-O 3.48Å; K48-F114 VanDerWaalsContact CA-O 3.25Å; K48-F114 WeakPolarHBondContact CA-O 3.46Å; S49-F114 PolarHBondContact N-O 3.26Å; S49-F114 PolarHBondContact O-N 2.86Å; W51-F114 HydrophobicContact CH2-CB 3.57Å; W51-F114 HydrophobicContact CH2-CD2 4.37Å; W51-F114 HydrophobicContact CH2-CG 4.07Å; W51-F114 HydrophobicContact CZ3-CB 3.47Å; W51-F114 VanDerWaalsContact CZ3-CB 3.47Å; W51-F114 HydrophobicContact CZ3-CG 4.2Å; V61-F114 HydrophobicContact CB-CD1 4.46Å; V61-F114 HydrophobicContact CB-CE1 4.48Å; V61-F114 HydrophobicContact CG1-CD1 3.99Å; V61-F114 HydrophobicContact CG1-CE1 4.13Å; W65-F114 AromaticContact CH2-CD1 3.84Å; W65-F114 HydrophobicContact CH2-CD1 3.84Å; W65-F114 AromaticContact CH2-CE1 3.71Å; W65-F114 HydrophobicContact CH2-CE1 3.71Å; W65-F114 HydrophobicContact CZ2-CD1 4.32Å; W65-F114 HydrophobicContact CZ3-CE1 4.18Å; C101-F114 HydrophobicContact CB-CE2 4.13Å; C101-F114 HydrophobicContact CB-CZ 3.81Å; A102-F114 WeakPolarHBondContact O-CD2 3.14Å; F114-C116 WeakPolarHBondContact CE1-SG 3.41Å
115	V	96.7	Very high	91.6	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135.7	-175.8	179.4	0	0	0	0	109.5	A28 V31 A32 F36 Y46 L47 C101 A102 L113	A28-V115 HydrophobicContact CB-CG1 4.13Å; V31-V115 HydrophobicContact CB-CG1 4.28Å; V31-V115 HydrophobicContact CG1-CG1 3.96Å; A32-V115 HydrophobicContact CB-CB 4.18Å; A32-V115 HydrophobicContact CB-CG2 3.72Å; F36-V115 HydrophobicContact CD2-CG1 4.09Å; F36-V115 HydrophobicContact CD2-CG2 3.83Å; F36-V115 HydrophobicContact CE2-CG1 4.04Å; F36-V115 HydrophobicContact CE2-CG2 4.43Å; Y46-V115 HydrophobicContact CD1-CG1 3.96Å; L47-V115 WeakPolarHBondContact O-CA 3.31Å; C101-V115 CarbonylContact C-O 3.56Å; C101-V115 WeakPolarHBondContact CA-O 3.47Å; C101-V115 WeakPolarHBondContact CB-O 3.37Å; A102-V115 PolarHBondContact N-O 3.32Å; A102-V115 PolarHBondContact O-N 2.68Å; L113-V115 HydrophobicContact CD1-CG2 4.13Å; L113-V115 HydrophobicContact CD2-CG2 4.43Å; L113-V115 HydrophobicContact CG-CG2 4.03Å
116	C	97.8	Very high	91.5	Very high	3 Å²	3	62.9 Å²	62.9	2%	0.02	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.4	167.9	-71.7	0	0	0	0	110.7	Y46 L47 W65 I99 G100 C101 F114 F118	Y46-C116 WeakPolarHBondContact CA-O 3.27Å; L47-C116 PolarHBondContact N-O 3.16Å; L47-C116 PolarHBondContact O-N 3.04Å; W65-C116 HydrophobicContact CH2-CB 3.82Å; W65-C116 HydrophobicContact CZ3-CB 3.93Å; I99-C116 HydrophobicContact CD1-CB 4.23Å; I99-C116 HydrophobicContact CG1-CB 4.37Å; G100-C116 CarbonylContact O-C 3.49Å; G100-C116 WeakPolarHBondContact O-CA 3.5Å; C101-C116 HydrophobicContact CB-CB 4.08Å; C101-C116 WeakPolarHBondContact CB-SG 3.03Å; C101-C116 WeakPolarHBondContact SG-CB 3.48Å; C101-C116 CovalentContact SG-SG 2.04Å; C101-C116 PolarHBondContact SG-SG 3.26Å; F114-C116 WeakPolarHBondContact CE1-SG 3.41Å; C116-F118 HydrophobicContact CB-CD2 4.41Å; C116-F118 HydrophobicContact CB-CE2 3.79Å; C116-F118 HydrophobicContact CB-CZ 4.44Å
117	A	97.7	Very high	91.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	131.5	168.7	0	0	0	0	0	110	L24 A28 G45 Y46 I99 G100	L24-A117 HydrophobicContact CB-CB 4.23Å; L24-A117 HydrophobicContact CD2-CB 4.28Å; L24-A117 WeakPolarHBondContact O-CB 3.03Å; A28-A117 HydrophobicContact CB-CB 4.08Å; G45-A117 CarbonylContact O-C 3.45Å; G45-A117 WeakPolarHBondContact O-CA 3.46Å; Y46-A117 HydrophobicContact CD1-CB 3.99Å; Y46-A117 HydrophobicContact CE1-CB 3.54Å; I99-A117 WeakPolarHBondContact CA-O 3.46Å; I99-A117 WeakPolarHBondContact CG1-O 3.4Å; G100-A117 PolarHBondContact N-O 2.98Å; G100-A117 PolarHBondContact O-N 2.91Å
118	F	97.7	Very high	91.9	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.3	177.6	-64.5	-108.1	0	0	0	108.7	M1 L18 Y44 G45 L47 Q90 I99 C116 N120	M1-F118 HydrophobicContact SD-CZ 4.45Å; L18-F118 HydrophobicContact CD1-CD1 3.94Å; L18-F118 HydrophobicContact CD1-CE1 3.72Å; Y44-F118 WeakPolarHBondContact CA-O 3.38Å; Y44-F118 WeakPolarHBondContact CB-O 3.24Å; G45-F118 PolarHBondContact N-O 3.02Å; G45-F118 PolarHBondContact O-N 3.09Å; L47-F118 HydrophobicContact CB-CE2 4.15Å; L47-F118 HydrophobicContact CD1-CE2 3.72Å; L47-F118 HydrophobicContact CD1-CZ 3.9Å; L47-F118 HydrophobicContact CG-CD2 4.46Å; L47-F118 HydrophobicContact CG-CE2 3.79Å; L47-F118 HydrophobicContact CG-CZ 4.47Å; Q90-F118 HydrophobicContact CG-CD2 4.47Å; I99-F118 HydrophobicContact CD1-CD1 4.09Å; I99-F118 HydrophobicContact CD1-CE1 3.59Å; I99-F118 HydrophobicContact CD1-CE2 4.17Å; I99-F118 HydrophobicContact CD1-CZ 3.63Å; I99-F118 HydrophobicContact CG1-CD1 4.25Å; I99-F118 HydrophobicContact CG1-CE1 4.24Å; I99-F118 HydrophobicContact CG1-CG 4.44Å; I99-F118 HydrophobicContact CG1-CZ 4.4Å; C116-F118 HydrophobicContact CB-CD2 4.41Å; C116-F118 HydrophobicContact CB-CE2 3.79Å; C116-F118 HydrophobicContact CB-CZ 4.44Å; F118-N120 PolarHBondContact O-N 3.42Å
119	E	97.3	Very high	92.6	Very high	64 Å²	64	53.5 Å²	53.5	30%	0.299	28%	0.276	S	S	.	.	S	Bend	trans	-55	-36.3	-179.3	-173.9	171.8	-137.5	0	0	113	L24 G97 K98	L24-E119 HydrophobicContact CD1-CB 4.11Å; G97-E119 WeakPolarHBondContact CA-OE2 3.5Å; K98-E119 HydrophobicContact CB-CB 4.11Å; K98-E119 WeakPolarHBondContact CD-OE1 3.47Å; K98-E119 WeakPolarHBondContact CE-OE1 3.33Å; K98-E119 WeakPolarHBondContact CG-OE2 3.4Å; K98-E119 PolarHBondContact N-OE2 3.1Å; K98-E119 IonicContact NZ-OE1 2.65Å; K98-E119 PolarHBondContact NZ-OE1 3.43Å; K98-E119 WeakPolarHBondContact O-CB 3.25Å; K98-E119 PolarHBondContact O-N 3.29Å
120	N	95.7	Very high	93.3	Very high	56 Å²	56	48.1 Å²	48.1	30%	0.299	26%	0.259	S	S	.	.	S	Bend	trans	-108	104.3	179.8	-80.2	-63	0	0	0	111.1	Q90 Y93 K95 R96 F118	Q90-N120 PolarHBondContact NE2-O 2.78Å; Y93-N120 HydrophobicContact CD1-CB 4.27Å; Y93-N120 HydrophobicContact CE1-CB 4.13Å; K95-N120 HydrophobicContact CB-CB 4.42Å; K95-N120 HydrophobicContact CD-CB 4.5Å; R96-N120 PolarHBondContact O-ND2 2.88Å; F118-N120 PolarHBondContact O-N 3.42Å
121	K	95.8	Very high	94.1	Very high	76 Å²	76	49.7 Å²	49.7	33%	0.33	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-66.6	134.5	166.5	-164.5	172.6	-159	169.6	0	110.3	D40 S42 T43 Y44 Q90	D40-K121 PolarHBondContact O-NZ 3.34Å; S42-K121 WeakPolarHBondContact O-CD 3.4Å; S42-K121 PolarHBondContact O-NZ 3.41Å; T43-K121 VanDerWaalsContact O-CB 3.28Å; T43-K121 WeakPolarHBondContact O-CB 3.35Å; Y44-K121 WeakPolarHBondContact O-CD 3.23Å; Q90-K121 VanDerWaalsContact OE1-CA 3.28Å
122	I	94.4	Very high	94.6	Very high	24 Å²	24	48.2 Å²	48.2	12%	0.123	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-72.9	129	175.4	-169.8	167.9	0	0	0	110.7	L89 Q90 Y93 P128	L89-I122 HydrophobicContact CB-CD1 4.11Å; L89-I122 HydrophobicContact CB-CG2 4.26Å; Q90-I122 HydrophobicContact CB-CG2 4.08Å; Y93-I122 HydrophobicContact CD1-CB 3.94Å; Y93-I122 HydrophobicContact CD1-CG1 4.28Å; Y93-I122 HydrophobicContact CD2-CB 4.13Å; Y93-I122 HydrophobicContact CD2-CD1 3.52Å; Y93-I122 HydrophobicContact CD2-CG1 3.59Å; Y93-I122 HydrophobicContact CE1-CB 4.32Å; Y93-I122 HydrophobicContact CE1-CG1 4.45Å; Y93-I122 HydrophobicContact CE2-CD1 4.11Å; Y93-I122 HydrophobicContact CE2-CG1 3.81Å; Y93-I122 HydrophobicContact CG-CB 3.84Å; Y93-I122 HydrophobicContact CG-CD1 3.93Å; Y93-I122 HydrophobicContact CG-CG1 3.85Å; I122-P128 HydrophobicContact CD1-CB 4.44Å
123	P	92.5	Very high	94.5	Very high	63 Å²	63	51.2 Å²	51.2	41%	0.409	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-73.7	144.9	175.2	-13.1	28.4	0	0	0	111.7	Y93 G125 I126	Y93-P123 WeakPolarHBondContact OH-CD 3.47Å; P123-G125 PolarHBondContact O-N 2.04Å; P123-I126 HydrophobicContact CB-CG1 3.82Å; P123-I126 HydrophobicContact CG-CG1 4.15Å; P123-I126 WeakPolarHBondContact O-CB 3.19Å; P123-I126 PolarHBondContact O-N 3.34Å
124	K	88.7	Confident	94.4	Very high	216 Å²	216	53.8 Å²	53.8	94%	0.939	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	134.4	179.8	-65	-170.6	176.1	-170.8	0	111.5	I126	K124-I126 VanDerWaalsContact C-N 3.29Å; K124-I126 PolarHBondContact O-N 3.37Å
125	G	87.7	Confident	94.1	Very high	80 Å²	80	53.7 Å²	53.7	83%	0.825	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	-0.5	177.5	0	0	0	0	0	115.8	P123	P123-G125 PolarHBondContact O-N 2.04Å
126	I	91.7	Very high	93.9	Very high	81 Å²	81	56.9 Å²	56.9	42%	0.415	32%	0.319	S	S	.	.			trans	-85.9	135.4	174.6	-58.8	-59.8	0	0	0	109.8	Y93 P123 K124	Y93-I126 HydrophobicContact CE2-CG2 4.24Å; P123-I126 HydrophobicContact CB-CG1 3.82Å; P123-I126 HydrophobicContact CG-CG1 4.15Å; P123-I126 WeakPolarHBondContact O-CB 3.19Å; P123-I126 PolarHBondContact O-N 3.34Å; K124-I126 VanDerWaalsContact C-N 3.29Å; K124-I126 PolarHBondContact O-N 3.37Å
127	V	93.5	Very high	93.7	Very high	61 Å²	61	59.4 Å²	59.4	37%	0.37	34%	0.336	S	S	.	.			trans	-65.3	144.3	174.1	-64	0	0	0	0	110.6	M77 Y129	M77-V127 HydrophobicContact CB-CB 4.26Å; M77-V127 HydrophobicContact CB-CG1 3.92Å; V127-Y129 PolarHBondContact O-N 3.27Å
128	P	95.6	Very high	93.5	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.348	C	S	.	.	S	Bend	trans	-68.5	-36.4	-174.4	25.5	-32.4	0	0	0	112.4	F72 M77 F88 L89 T92 Y93 Y94 I122	F72-P128 HydrophobicContact CE2-CG 4.11Å; F72-P128 HydrophobicContact CZ-CG 3.95Å; M77-P128 HydrophobicContact CE-CG 3.9Å; F88-P128 HydrophobicContact CE1-CG 4.18Å; L89-P128 HydrophobicContact CD2-CB 4.17Å; L89-P128 HydrophobicContact CD2-CG 3.9Å; T92-P128 WeakPolarHBondContact OG1-CB 3.16Å; Y93-P128 CarbonylContact C-O 3.58Å; Y93-P128 WeakPolarHBondContact CA-O 3.4Å; Y94-P128 WeakPolarHBondContact CB-O 3.18Å; Y94-P128 WeakPolarHBondContact CD1-O 3.21Å; Y94-P128 PolarHBondContact N-O 3.05Å; I122-P128 HydrophobicContact CD1-CB 4.44Å
129	Y	95.6	Very high	93	Very high	3 Å²	3	63.1 Å²	63.1	1%	0.012	37%	0.365	C	S	.	.	S	Bend	trans	-156.2	167.3	178.4	56.2	-92.4	0	0	0	112.4	V8 P9 A12 M15 M77 F88 V127 K131	V8-Y129 HydrophobicContact CB-CD1 4.38Å; V8-Y129 HydrophobicContact CB-CE1 3.68Å; V8-Y129 HydrophobicContact CB-CE2 4.22Å; V8-Y129 HydrophobicContact CG1-CE1 4.11Å; V8-Y129 HydrophobicContact CG2-CD1 4.04Å; V8-Y129 HydrophobicContact CG2-CD2 3.96Å; V8-Y129 HydrophobicContact CG2-CE1 3.71Å; V8-Y129 HydrophobicContact CG2-CE2 3.6Å; V8-Y129 HydrophobicContact CG2-CG 4.17Å; V8-Y129 VanDerWaalsContact CG2-CZ 3.49Å; P9-Y129 PolarHBondContact O-OH 3.27Å; A12-Y129 HydrophobicContact CB-CD2 3.55Å; A12-Y129 HydrophobicContact CB-CE2 4.25Å; A12-Y129 HydrophobicContact CB-CG 3.9Å; M15-Y129 HydrophobicContact CE-CD1 3.91Å; M15-Y129 HydrophobicContact CE-CG 3.91Å; M77-Y129 HydrophobicContact CE-CD1 3.95Å; M77-Y129 HydrophobicContact CE-CD2 3.61Å; M77-Y129 HydrophobicContact CE-CE1 3.75Å; M77-Y129 HydrophobicContact CE-CE2 3.42Å; M77-Y129 VanDerWaalsContact CE-CE2 3.42Å; M77-Y129 HydrophobicContact CE-CG 3.87Å; M77-Y129 VanDerWaalsContact CE-CZ 3.48Å; M77-Y129 WeakPolarHBondContact CE-O 3.02Å; M77-Y129 HydrophobicContact SD-CE2 4.28Å; F88-Y129 HydrophobicContact CE1-CE1 4.47Å; F88-Y129 HydrophobicContact CZ-CE1 4.07Å; V127-Y129 PolarHBondContact O-N 3.27Å; Y129-K131 HydrophobicContact CE2-CG 4.24Å
130	E	94.7	Very high	92.3	Very high	96 Å²	96	70 Å²	70	45%	0.449	40%	0.398	S	S	.	.			trans	-90.9	118.1	173.1	-73.9	177.1	-120.6	0	0	111.3	A12 K13 N14	A12-E130 CarbonylContact C-O 3.13Å; A12-E130 WeakPolarHBondContact CA-O 3.45Å; K13-E130 PolarHBondContact N-O 3.08Å; N14-E130 VanDerWaalsContact ND2-CG 3.33Å; N14-E130 WeakPolarHBondContact ND2-CG 3.07Å; N14-E130 PolarHBondContact ND2-OE1 2.86Å; N14-E130 PolarHBondContact OD1-N 2.8Å; N14-E130 VanDerWaalsContact OD1-N 3.12Å
131	K	94.3	Very high	91.9	Very high	81 Å²	81	71.6 Å²	71.6	35%	0.352	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-60.3	140.5	178.2	-80	-174.1	174.9	178.4	0	113.3	G11 K13 T74 M77 Y129	G11-K131 VanDerWaalsContact O-CA 3.31Å; G11-K131 WeakPolarHBondContact O-CA 3.45Å; K13-K131 WeakPolarHBondContact CE-O 3.42Å; T74-K131 WeakPolarHBondContact O-CE 3.3Å; T74-K131 PolarHBondContact O-NZ 2.99Å; M77-K131 HydrophobicContact CE-CG 4.38Å; M77-K131 HydrophobicContact CG-CD 4.4Å; M77-K131 HydrophobicContact CG-CG 4.44Å; M77-K131 HydrophobicContact SD-CD 4.33Å; M77-K131 HydrophobicContact SD-CG 4.11Å; Y129-K131 HydrophobicContact CE2-CG 4.24Å
132	G	93.2	Very high	91.5	Very high	24 Å²	24	69.6 Å²	69.6	25%	0.247	40%	0.398	C	S	.	.	S	Bend	trans	142.5	-167.1	167.5	0	0	0	0	0	113.6	G10 G11 A12 Q134	G10-G132 PolarHBondContact O-N 2.79Å; G11-G132 CarbonylContact C-O 3.6Å; G11-G132 WeakPolarHBondContact CA-O 3.23Å; G11-G132 PolarHBondContact O-N 3.34Å; G11-G132 VanDerWaalsContact O-N 3.12Å; A12-G132 PolarHBondContact N-O 2.94Å; G132-Q134 PolarHBondContact O-N 2.83Å
133	T	92.9	Very high	91.2	Very high	113 Å²	113	74.3 Å²	74.3	69%	0.693	42%	0.418	S	S	*	.	S	Bend	trans	-50.5	123.4	178.9	-47.8	0	0	0	0	111	K13 S136	K13-T133 WeakPolarHBondContact CA-O 3.35Å; T133-S136 WeakPolarHBondContact O-CB 3.38Å; T133-S136 PolarHBondContact O-N 2.78Å; T133-S136 PolarHBondContact O-OG 2.84Å
134	Q	92.2	Very high	91.1	Very high	63 Å²	63	74.9 Å²	74.9	29%	0.294	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	144.6	-175.9	-65.4	146.8	-48.9	0	0	111.1	A6 A12 G132 S136 E147	A6-Q134 PolarHBondContact O-NE2 2.93Å; A12-Q134 WeakPolarHBondContact O-CA 3.15Å; G132-Q134 PolarHBondContact O-N 2.83Å; Q134-S136 PolarHBondContact O-N 2.84Å; Q134-E147 HydrophobicContact CB-CB 3.84Å; Q134-E147 HydrophobicContact CB-CG 4.18Å; Q134-E147 HydrophobicContact CG-CB 4.04Å; Q134-E147 HydrophobicContact CG-CG 4.44Å; Q134-E147 PolarHBondContact NE2-OE2 2.72Å
135	C	90.7	Very high	91	Very high	19 Å²	19	67.6 Å²	67.6	13%	0.128	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	1.8	-176	-55.2	0	0	0	0	117.7	K13 S137 C138 C144 K148	K13-C135 CarbonylContact O-C 3.5Å; K13-C135 VanDerWaalsContact O-CA 3.24Å; K13-C135 WeakPolarHBondContact O-CA 3.37Å; K13-C135 PolarHBondContact O-N 3.39Å; C135-S137 PolarHBondContact O-N 2.91Å; C135-C138 VanDerWaalsContact CA-SG 3.55Å; C135-C138 PolarHBondContact O-N 2.87Å; C135-C138 PolarHBondContact O-SG 2.87Å; C135-C138 VanDerWaalsContact O-SG 3.39Å; C135-C144 HydrophobicContact CB-CB 3.39Å; C135-C144 WeakPolarHBondContact CB-SG 3.27Å; C135-C144 WeakPolarHBondContact SG-CA 3.31Å; C135-C144 WeakPolarHBondContact SG-CB 3.38Å; C135-C144 CovalentContact SG-SG 2.03Å; C135-C144 PolarHBondContact SG-SG 3.32Å; C135-K148 VanDerWaalsContact SG-C 3.59Å; C135-K148 PolarHBondContact SG-N 2.87Å; C135-K148 PolarHBondContact SG-O 3.02Å
136	S	93.1	Very high	90.8	Very high	67 Å²	67	69.3 Å²	69.3	47%	0.469	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	4	-178.4	62.3	0	0	0	0	114.8	K13 T133 Q134	K13-S136 VanDerWaalsContact CG-OG 3.3Å; K13-S136 WeakPolarHBondContact CG-OG 3.37Å; K13-S136 PolarHBondContact O-N 2.71Å; T133-S136 WeakPolarHBondContact O-CB 3.38Å; T133-S136 PolarHBondContact O-N 2.78Å; T133-S136 PolarHBondContact O-OG 2.84Å; Q134-S136 PolarHBondContact O-N 2.84Å
137	S	93.9	Very high	90.3	Very high	56 Å²	56	69.5 Å²	69.5	39%	0.392	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.6	43.5	175.4	-53.4	0	0	0	0	112.2	K13 C135	K13-S137 CarbonylContact O-C 3.18Å; K13-S137 PolarHBondContact O-N 3.35Å; C135-S137 PolarHBondContact O-N 2.91Å
138	C	91.8	Very high	90.1	Very high	36 Å²	36	67.1 Å²	67.1	24%	0.243	37%	0.374	C	S	.	.			trans	-72.8	157.2	166.7	-58	0	0	0	0	112.1	C135 E142 C149	C135-C138 VanDerWaalsContact CA-SG 3.55Å; C135-C138 PolarHBondContact O-N 2.87Å; C135-C138 PolarHBondContact O-SG 2.87Å; C135-C138 VanDerWaalsContact O-SG 3.39Å; C138-E142 HydrophobicContact CB-CB 4.05Å; C138-C149 WeakPolarHBondContact CA-SG 3.33Å; C138-C149 HydrophobicContact CB-CB 3.62Å; C138-C149 WeakPolarHBondContact CB-SG 3.31Å; C138-C149 WeakPolarHBondContact SG-CA 3.45Å; C138-C149 WeakPolarHBondContact SG-CB 3.29Å; C138-C149 CovalentContact SG-SG 2.04Å; C138-C149 PolarHBondContact SG-SG 3.47Å
139	A	87.4	Confident	89.9	Confident	46 Å²	46	67.1 Å²	67.1	38%	0.38	37%	0.374	S	S	.	.			trans	-70.5	164.6	173	0	0	0	0	0	112.3	D141 E142	A139-D141 WeakPolarHBondContact CB-OD1 3.45Å; A139-D141 PolarHBondContact O-N 2.78Å; A139-E142 HydrophobicContact CB-CB 4.5Å; A139-E142 HydrophobicContact CB-CG 4.08Å; A139-E142 WeakPolarHBondContact CB-OE2 3.34Å; A139-E142 PolarHBondContact N-OE2 2.04Å; A139-E142 PolarHBondContact O-N 2.96Å; A139-E142 VanDerWaalsContact O-N 3.1Å
140	Q	83.5	Confident	89.7	Confident	210 Å²	210	68.4 Å²	68.4	98%	0.981	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-22.9	-175.5	-68.1	-178.9	-19.3	0	0	113.8
141	D	87.2	Confident	89.2	Confident	89 Å²	89	67.2 Å²	67.2	48%	0.476	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	1.7	176	61.9	-44.5	0	0	0	113.5	A139 H151	A139-D141 WeakPolarHBondContact CB-OD1 3.45Å; A139-D141 PolarHBondContact O-N 2.78Å; D141-H151 IonicContact OD2-CE1 2.77Å; D141-H151 PolarHBondContact OD2-CE1 3.1Å; D141-H151 IonicContact OD2-ND1 3.49Å; D141-H151 PolarHBondContact OD2-ND1 3.3Å; D141-H151 IonicContact OD2-NE2 2.74Å
142	E	87.6	Confident	88	Confident	34 Å²	34	68.3 Å²	68.3	16%	0.159	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	143.3	175.6	-66.3	-175.9	121.3	0	0	112	C138 A139 C149 C150 H151	C138-E142 HydrophobicContact CB-CB 4.05Å; A139-E142 HydrophobicContact CB-CB 4.5Å; A139-E142 HydrophobicContact CB-CG 4.08Å; A139-E142 WeakPolarHBondContact CB-OE2 3.34Å; A139-E142 PolarHBondContact N-OE2 2.04Å; A139-E142 PolarHBondContact O-N 2.96Å; A139-E142 VanDerWaalsContact O-N 3.1Å; E142-C149 HydrophobicContact CB-CB 4.29Å; E142-C149 VanDerWaalsContact OE2-CB 3.31Å; E142-C149 WeakPolarHBondContact OE2-CB 3.5Å; E142-C150 CarbonylContact C-O 3.55Å; E142-C150 VanDerWaalsContact CA-O 3.32Å; E142-C150 WeakPolarHBondContact CA-O 3.41Å; E142-H151 IonicContact OE1-CD2 2.8Å; E142-H151 IonicContact OE1-NE2 2.88Å
143	K	87.6	Confident	86.4	Confident	123 Å²	123	71 Å²	71	54%	0.535	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	148.8	162.8	-75.9	-166.5	-176.7	168.1	0	110.2	T145 C150 L152	K143-T145 HydrophobicContact CB-CG2 4.41Å; K143-T145 PolarHBondContact O-N 3.08Å; K143-C150 PolarHBondContact N-O 2.95Å; K143-C150 PolarHBondContact O-N 2.6Å; K143-L152 HydrophobicContact CD-CD2 3.6Å; K143-L152 HydrophobicContact CD-CG 4.29Å; K143-L152 HydrophobicContact CG-CD1 4.48Å; K143-L152 HydrophobicContact CG-CD2 3.93Å; K143-L152 HydrophobicContact CG-CG 4.12Å
144	C	90.6	Very high	84	Confident	75 Å²	75	68.8 Å²	68.8	51%	0.507	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	115.9	162.9	-171.1	0	0	0	0	109.6	C135 K148	C135-C144 HydrophobicContact CB-CB 3.39Å; C135-C144 WeakPolarHBondContact CB-SG 3.27Å; C135-C144 WeakPolarHBondContact SG-CA 3.31Å; C135-C144 WeakPolarHBondContact SG-CB 3.38Å; C135-C144 CovalentContact SG-SG 2.03Å; C135-C144 PolarHBondContact SG-SG 3.32Å; C144-K148 CarbonylContact C-O 3.51Å; C144-K148 VanDerWaalsContact CA-O 3.29Å; C144-K148 WeakPolarHBondContact CA-O 3.38Å
145	T	85.4	Confident	81.3	Confident	62 Å²	62	75.1 Å²	75.1	38%	0.38	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	118.8	170.6	68	0	0	0	0	109.5	K143 E147 K148 C150	K143-T145 HydrophobicContact CB-CG2 4.41Å; K143-T145 PolarHBondContact O-N 3.08Å; T145-E147 VanDerWaalsContact C-N 3.34Å; T145-E147 PolarHBondContact O-N 3.28Å; T145-K148 PolarHBondContact N-O 3.12Å; T145-K148 PolarHBondContact O-N 3.01Å; T145-C150 HydrophobicContact CG2-CB 4.25Å; T145-C150 VanDerWaalsContact OG1-CB 3.26Å; T145-C150 WeakPolarHBondContact OG1-CB 3.31Å; T145-C150 PolarHBondContact OG1-SG 2.95Å
146	T	83.6	Confident	78.9	Confident	117 Å²	117	83 Å²	83	72%	0.718	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	56.1	-176.3	-42	0	0	0	0	111.6	K148	T146-K148 VanDerWaalsContact C-N 3.25Å; T146-K148 PolarHBondContact O-N 3.07Å; T146-K148 PolarHBondContact O-NZ 2.91Å
147	E	82.7	Confident	76.4	Confident	85 Å²	85	87.4 Å²	87.4	40%	0.397	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	24.8	174.2	-64.3	160.6	-164.1	0	0	115	A6 Q134 T145	A6-E147 HydrophobicContact CB-CB 3.88Å; Q134-E147 HydrophobicContact CB-CB 3.84Å; Q134-E147 HydrophobicContact CB-CG 4.18Å; Q134-E147 HydrophobicContact CG-CB 4.04Å; Q134-E147 HydrophobicContact CG-CG 4.44Å; Q134-E147 PolarHBondContact NE2-OE2 2.72Å; T145-E147 VanDerWaalsContact C-N 3.34Å; T145-E147 PolarHBondContact O-N 3.28Å
148	K	89.2	Confident	73.7	Confident	10 Å²	10	91.4 Å²	91.4	4%	0.043	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	156.9	172.7	-70.9	169.3	-67.2	-64.5	0	112.2	N2 R5 A6 M15 C135 C144 T145 T146	N2-K148 HydrophobicContact CB-CD 4.34Å; N2-K148 VanDerWaalsContact O-CD 3.24Å; N2-K148 WeakPolarHBondContact O-CD 3.31Å; N2-K148 WeakPolarHBondContact O-CE 3.23Å; N2-K148 PolarHBondContact O-NZ 3.41Å; R5-K148 HydrophobicContact CB-CD 4.49Å; A6-K148 HydrophobicContact CB-CG 4.21Å; M15-K148 HydrophobicContact CB-CG 4.44Å; M15-K148 HydrophobicContact CG-CG 3.98Å; M15-K148 CarbonylContact O-C 3.51Å; M15-K148 VanDerWaalsContact O-CA 3.25Å; M15-K148 WeakPolarHBondContact O-CA 3.06Å; M15-K148 VanDerWaalsContact O-CB 3.25Å; M15-K148 WeakPolarHBondContact O-CB 3.18Å; C135-K148 VanDerWaalsContact SG-C 3.59Å; C135-K148 PolarHBondContact SG-N 2.87Å; C135-K148 PolarHBondContact SG-O 3.02Å; C144-K148 CarbonylContact C-O 3.51Å; C144-K148 VanDerWaalsContact CA-O 3.29Å; C144-K148 WeakPolarHBondContact CA-O 3.38Å; T145-K148 PolarHBondContact N-O 3.12Å; T145-K148 PolarHBondContact O-N 3.01Å; T146-K148 VanDerWaalsContact C-N 3.25Å; T146-K148 PolarHBondContact O-N 3.07Å; T146-K148 PolarHBondContact O-NZ 2.91Å
149	C	91.3	Very high	71.6	Confident	1 Å²	1	97.5 Å²	97.5	1%	0.007	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	115.5	169.1	-50.3	0	0	0	0	109.8	M15 G16 C17 C138 E142	M15-C149 PolarHBondContact O-N 2.9Å; G16-C149 CarbonylContact C-O 3.55Å; G16-C149 VanDerWaalsContact CA-O 3.32Å; G16-C149 WeakPolarHBondContact CA-O 3.34Å; C17-C149 PolarHBondContact N-O 2.56Å; C17-C149 PolarHBondContact SG-O 2.67Å; C138-C149 WeakPolarHBondContact CA-SG 3.33Å; C138-C149 HydrophobicContact CB-CB 3.62Å; C138-C149 WeakPolarHBondContact CB-SG 3.31Å; C138-C149 WeakPolarHBondContact SG-CA 3.45Å; C138-C149 WeakPolarHBondContact SG-CB 3.29Å; C138-C149 CovalentContact SG-SG 2.04Å; C138-C149 PolarHBondContact SG-SG 3.47Å; E142-C149 HydrophobicContact CB-CB 4.29Å; E142-C149 VanDerWaalsContact OE2-CB 3.31Å; E142-C149 WeakPolarHBondContact OE2-CB 3.5Å
150	C	91.8	Very high	69.4	Low	30 Å²	30	102.1 Å²	102.1	20%	0.203	55%	0.549	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.4	177.7	-104.9	0	0	0	0	107.2	C17 E142 K143 T145	C17-C150 HydrophobicContact CB-CB 4.14Å; C17-C150 WeakPolarHBondContact CB-SG 3.49Å; C17-C150 VanDerWaalsContact SG-CA 3.56Å; C17-C150 WeakPolarHBondContact SG-CB 2.95Å; C17-C150 CovalentContact SG-SG 2.03Å; C17-C150 PolarHBondContact SG-SG 3.21Å; E142-C150 CarbonylContact C-O 3.55Å; E142-C150 VanDerWaalsContact CA-O 3.32Å; E142-C150 WeakPolarHBondContact CA-O 3.41Å; K143-C150 PolarHBondContact N-O 2.95Å; K143-C150 PolarHBondContact O-N 2.6Å; T145-C150 HydrophobicContact CG2-CB 4.25Å; T145-C150 VanDerWaalsContact OG1-CB 3.26Å; T145-C150 WeakPolarHBondContact OG1-CB 3.31Å; T145-C150 PolarHBondContact OG1-SG 2.95Å
151	H	84.2	Confident	67.1	Low	71 Å²	71	101 Å²	101	33%	0.329	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	147.7	167.9	-71.9	-128.1	0	0	0	109.5	R96 D141 E142	R96-H151 WeakPolarHBondContact CD-CD2 3.45Å; R96-H151 PolarHBondContact NE-CD2 2.99Å; R96-H151 PolarHBondContact NH1-CD2 3.34Å; R96-H151 PolarHBondContact NH1-CE1 2.99Å; R96-H151 VanDerWaalsContact NH1-CG 3.25Å; R96-H151 PolarHBondContact NH1-NE2 3.38Å; D141-H151 IonicContact OD2-CE1 2.77Å; D141-H151 PolarHBondContact OD2-CE1 3.1Å; D141-H151 IonicContact OD2-ND1 3.49Å; D141-H151 PolarHBondContact OD2-ND1 3.3Å; D141-H151 IonicContact OD2-NE2 2.74Å; E142-H151 IonicContact OE1-CD2 2.8Å; E142-H151 IonicContact OE1-NE2 2.88Å
152	L	69	Low	65	Low	103 Å²	103	105.5 Å²	105.5	54%	0.539	56%	0.559	S	S	.	*			trans	-57.4	140.8	162	-74.5	170.5	0	0	0	109.9	K143 G154	K143-L152 HydrophobicContact CD-CD2 3.6Å; K143-L152 HydrophobicContact CD-CG 4.29Å; K143-L152 HydrophobicContact CG-CD1 4.48Å; K143-L152 HydrophobicContact CG-CD2 3.93Å; K143-L152 HydrophobicContact CG-CG 4.12Å; L152-G154 PolarHBondContact O-N 3.49Å
153	G	59.7	Low	62.7	Low	80 Å²	80	107.2 Å²	107.2	83%	0.825	59%	0.586	S	S	*	*			trans	-68.1	77.5	176.6	0	0	0	0	0	112.2
154	G	41.1	Very low	60.5	Low	67 Å²	67	108.7 Å²	108.7	69%	0.691	60%	0.599	S	S	*	*			trans	-54.7	134.7	144	0	0	0	0	0	107.5	L152	L152-G154 PolarHBondContact O-N 3.49Å
155	K	35.7	Very low	58.5	Low	196 Å²	196	110.5 Å²	110.5	85%	0.852	60%	0.604	S	S	*	*			trans	-35.7	136.4	-169.1	-62.7	171.8	-178.3	174.7	0	112.7	E157	K155-E157 PolarHBondContact O-N 3.49Å
156	E	41.3	Very low	56.6	Low	184 Å²	184	116 Å²	116	86%	0.86	62%	0.623	S	S	*	*			trans	-55.8	111	161.1	-69.4	-179.6	117.1	0	0	107.6	D158	E156-D158 VanDerWaalsContact C-N 3.25Å; E156-D158 PolarHBondContact O-N 3.01Å
157	E	39.9	Very low	54.5	Low	160 Å²	160	120.2 Å²	120.2	75%	0.748	63%	0.631	S	S	*	*			trans	-71.7	93.3	167.2	-71	-168.4	134.7	0	0	106.4	K155 H159	K155-E157 PolarHBondContact O-N 3.49Å; E157-H159 PolarHBondContact O-CD2 2.91Å; E157-H159 PolarHBondContact O-N 3.41Å
158	D	37.9	Very low	52.7	Low	140 Å²	140	124.1 Å²	124.1	75%	0.749	65%	0.647	S	S	*	*			trans	-55.4	86.1	171.1	-91.8	-51.4	0	0	0	109.6	E156 N160	E156-D158 VanDerWaalsContact C-N 3.25Å; E156-D158 PolarHBondContact O-N 3.01Å; D158-N160 PolarHBondContact O-N 3.21Å
159	H	46	Very low	50.4	Low	165 Å²	165	129.1 Å²	129.1	76%	0.764	67%	0.674	S	S	*	*			trans	-70.2	20.3	170.4	-91.9	-80.2	0	0	0	112.6	E157 K161	E157-H159 PolarHBondContact O-CD2 2.91Å; E157-H159 PolarHBondContact O-N 3.41Å; H159-K161 PolarHBondContact O-N 2.99Å
160	N	41.5	Very low	48.3	Very low	143 Å²	143	137.3 Å²	137.3	77%	0.765	72%	0.718	S	S	*	*			trans	-73.4	65.9	164.5	-167.4	15.3	0	0	0	109.9	D158	D158-N160 PolarHBondContact O-N 3.21Å
161	K	36.3	Very low	46	Very low	186 Å²	186	143.6 Å²	143.6	81%	0.809	75%	0.75	S	S	*	*			trans	-137	55.3	-179	-160.3	175.5	-176.5	177.8	0	110.9	H159	H159-K161 PolarHBondContact O-N 2.99Å
162	E	43.7	Very low	44.3	Very low	183 Å²	183	148.1 Å²	148.1	86%	0.855	78%	0.776	S	S	*	*			trans	-60.5	141.2	157.1	-66.8	-166.4	123	0	0	109.2	D164	E162-D164 PolarHBondContact O-N 3.3Å
163	G	38.1	Very low	43.1	Very low	71 Å²	71	149 Å²	149	73%	0.732	78%	0.781	S	S	*	*			trans	-83.4	96.9	-161.7	0	0	0	0	0	115.1	D165	G163-D165 PolarHBondContact O-N 3.09Å
164	D	40.7	Very low	42.5	Very low	153 Å²	153	154.9 Å²	154.9	82%	0.818	78%	0.784	S	S	*	*			trans	-73.8	70.6	156.5	-171.8	15.3	0	0	0	108.9	E162 K522	E162-D164 PolarHBondContact O-N 3.3Å; D164-K522 IonicContact OD2-NZ 2.61Å
165	D	49.1	Very low	42.4	Very low	113 Å²	113	159.7 Å²	159.7	60%	0.604	79%	0.786	S	S	*	*			trans	-118.5	123.6	-169.5	-149.3	-18.2	0	0	0	113.6	G163	G163-D165 PolarHBondContact O-N 3.09Å
166	K	45.8	Very low	42.5	Very low	177 Å²	177	155.5 Å²	155.5	77%	0.77	78%	0.777	S	S	*	*			trans	52.2	91.4	171.3	-72.2	167.5	-157.2	74.4	0	118.5
167	K	38.8	Very low	42.5	Very low	207 Å²	207	153.6 Å²	153.6	90%	0.9	77%	0.773	S	S	*	*			trans	-136.5	91	134.2	-173.5	175.2	-177.4	174.5	0	111
168	K	44.7	Very low	42.7	Very low	166 Å²	166	153 Å²	153	72%	0.722	78%	0.775	S	S	*	*			trans	-158.5	133.4	165.3	-102.6	-163.5	150.5	-70.6	0	112.2
169	D	41.8	Very low	43	Very low	115 Å²	115	153.5 Å²	153.5	62%	0.615	78%	0.777	S	S	*	*			trans	55.9	93.4	143.9	-38.1	-18.2	0	0	0	119.2
170	D	48	Very low	42.9	Very low	174 Å²	174	150.9 Å²	150.9	93%	0.93	77%	0.769	S	S	*	*			trans	-130.9	65.4	155.7	-91.7	-49.4	0	0	0	108
171	D	43.6	Very low	43.2	Very low	162 Å²	162	151.4 Å²	151.4	87%	0.866	76%	0.764	S	S	*	*			trans	-119.9	95.9	171.6	-97.7	-51.7	0	0	0	107.9
172	D	46.8	Very low	43.4	Very low	166 Å²	166	150.8 Å²	150.8	89%	0.888	76%	0.762	S	S	*	*			trans	-159.3	152.2	148.9	-126.5	-27.9	0	0	0	115.7
173	D	45.4	Very low	43.3	Very low	120 Å²	120	149.9 Å²	149.9	64%	0.642	76%	0.755	S	S	*	*			trans	-7.2	119.5	178.6	-139.5	-31.5	0	0	0	120.9	K175	D173-K175 PolarHBondContact OD1-N 3.01Å
174	K	46	Very low	43.5	Very low	205 Å²	205	152.6 Å²	152.6	89%	0.891	75%	0.749	S	S	*	*				-143.5	98.7	123.1	-155.2	148.9	-165.4	167.1	0	115.4
175	K	39.4	Very low	43.8	Very low	168 Å²	168	151.1 Å²	151.1	73%	0.73	74%	0.741	S	S	*	*			trans	-65.9	179.2	165.1	-143.6	167.7	-167.9	161.9	0	113.6	D173	D173-K175 PolarHBondContact OD1-N 3.01Å
176	T	37.1	Very low	43.6	Very low	108 Å²	108	151.9 Å²	151.9	66%	0.663	75%	0.745	S	S	*	*			trans	89.5	95	167.4	73.8	0	0	0	0	119.9
177	D	41.9	Very low	43.4	Very low	143 Å²	143	150.2 Å²	150.2	77%	0.765	74%	0.744	S	S	*	*				86.4	159	114.2	-51.8	-21.5	0	0	0	122.8
178	D	45.2	Very low	43.7	Very low	148 Å²	148	147 Å²	147	79%	0.791	73%	0.734	S	S	*	*			trans	70.5	100.8	169.4	-58.5	-19.1	0	0	0	120.7
179	D	43	Very low	43.7	Very low	151 Å²	151	147.6 Å²	147.6	81%	0.807	74%	0.737	S	S	*	*				34.5	144.8	121.1	-69.3	-25.6	0	0	0	120.1
180	D	44.9	Very low	43.7	Very low	109 Å²	109	150.5 Å²	150.5	58%	0.583	74%	0.744	S	S	*	*			cis	-172.2	159.5	48.7	-156.4	-8.6	0	0	0	114.9
181	K	46.5	Very low	43.6	Very low	154 Å²	154	147.6 Å²	147.6	67%	0.67	73%	0.728	S	S	*	*			trans	61.5	119.3	150.3	-91	154.6	-160.3	73.1	0	123.9
182	K	40.4	Very low	43.5	Very low	174 Å²	174	146.8 Å²	146.8	76%	0.757	72%	0.724	S	S	*	*			trans	90.6	123.3	140.3	-67.7	178.8	176	-176	0	117.8
183	K	41.8	Very low	43.3	Very low	164 Å²	164	144 Å²	144	71%	0.713	71%	0.709	S	S	*	*				80.5	140.4	53.4	-75.2	-179.7	149.1	-140.6	0	112
184	E	43.6	Very low	43.3	Very low	128 Å²	128	145 Å²	145	60%	0.598	72%	0.719	S	S	*	*			cis	-154.8	166.9	21.1	-127.8	141	178.3	0	0	113.4
185	D	45	Very low	43	Very low	121 Å²	121	142 Å²	142	65%	0.647	71%	0.706	S	S	*	*			trans	74.7	94.9	150.9	-58.8	-27.6	0	0	0	126
186	N	45	Very low	43	Very low	130 Å²	130	142.9 Å²	142.9	70%	0.695	71%	0.71	S	S	*	*				73	140.7	107.9	-53.1	-25.8	0	0	0	126.1
187	D	42.9	Very low	43.2	Very low	141 Å²	141	144.9 Å²	144.9	75%	0.754	71%	0.71	S	S	*	*			trans	68.5	147.1	149.3	-80.8	-53.5	0	0	0	120.4
188	M	44.7	Very low	43.3	Very low	140 Å²	140	143.3 Å²	143.3	69%	0.69	70%	0.701	S	S	*	*			cis	-155.2	163.3	11	-144.1	-177.4	-148.1	0	0	112.6
189	K	44.3	Very low	43.2	Very low	178 Å²	178	142.6 Å²	142.6	77%	0.774	70%	0.697	S	S	*	*			trans	76.6	115.2	166.9	-61.2	166.2	-174.6	170.7	0	115.5
190	K	41.4	Very low	43.2	Very low	177 Å²	177	140.5 Å²	140.5	77%	0.77	68%	0.683	S	S	*	*			cis	72.2	138.6	22.6	-111.8	177.4	160.4	-88.9	0	112.7
191	D	47	Very low	43	Very low	112 Å²	112	142.7 Å²	142.7	60%	0.599	69%	0.687	S	S	*	*			cis	-145.5	164.7	24.6	-69.6	-80.7	0	0	0	115
192	D	42.3	Very low	42.7	Very low	145 Å²	145	142.6 Å²	142.6	78%	0.775	69%	0.686	S	S	*	*			trans	45.1	132.6	151.4	-52	-17.4	0	0	0	123
193	D	42.1	Very low	42.8	Very low	109 Å²	109	141 Å²	141	58%	0.583	68%	0.68	S	S	*	*			cis	83.9	93	38.8	-175.2	23	0	0	0	117	K195	D193-K195 PolarHBondContact OD1-N 2.96Å; D193-K195 IonicContact OD1-NZ 3.73Å; D193-K195 IonicContact OD2-NZ 3.1Å; D193-K195 PolarHBondContact OD2-NZ 3.03Å; D193-K195 VanDerWaalsContact OD2-NZ 3.1Å
194	V	44.3	Very low	42.7	Very low	140 Å²	140	138.7 Å²	138.7	85%	0.848	68%	0.675	S	S	*	*			trans	-136.9	97.4	149.4	-173.9	0	0	0	0	112.2
195	K	40.9	Very low	42.7	Very low	141 Å²	141	139 Å²	139	61%	0.613	68%	0.681	S	S	*	*			trans	23.4	129.1	134.5	-70	164.1	-168.1	63.6	0	120	D193	D193-K195 PolarHBondContact OD1-N 2.96Å; D193-K195 IonicContact OD1-NZ 3.73Å; D193-K195 IonicContact OD2-NZ 3.1Å; D193-K195 PolarHBondContact OD2-NZ 3.03Å; D193-K195 VanDerWaalsContact OD2-NZ 3.1Å
196	K	38.1	Very low	42.6	Very low	188 Å²	188	139.7 Å²	139.7	82%	0.817	69%	0.685	S	S	*	*				66.9	123.6	80.8	-128.9	175.2	-169.6	169.2	0	111.6
197	K	42.2	Very low	42.4	Very low	150 Å²	150	138.2 Å²	138.2	65%	0.652	68%	0.677	S	S	*	*				178.2	159	74.1	-105.7	-173.1	143.9	-71.6	0	112.5
198	D	43.7	Very low	42.2	Very low	109 Å²	109	138.5 Å²	138.5	58%	0.583	67%	0.671	S	S	*	*			trans	56.4	152.1	140.2	-51.9	2.3	0	0	0	120.7
199	D	44.1	Very low	41.9	Very low	134 Å²	134	139.2 Å²	139.2	72%	0.717	67%	0.67	S	S	*	*			cis	-164.4	172.9	-15.1	-116.5	-45.9	0	0	0	112
200	E	41.4	Very low	41.6	Very low	107 Å²	107	140.1 Å²	140.1	50%	0.5	67%	0.669	S	S	.	*			trans	23.5	134.5	158.8	-57.9	-161.9	102.6	0	0	121.8	K202	E200-K202 IonicContact OE1-NZ 2.64Å; E200-K202 PolarHBondContact OE1-NZ 2.8Å
201	K	41.5	Very low	41.5	Very low	154 Å²	154	137.8 Å²	137.8	67%	0.67	67%	0.665	S	S	*	*				-168.8	142.3	62.9	-113.3	118	-179.4	150.4	0	109.4
202	K	40.7	Very low	41.4	Very low	152 Å²	152	138.9 Å²	138.9	66%	0.661	67%	0.671	S	S	*	*				56.3	133.2	84.5	-62.1	176.7	-176.2	152.2	0	113.3	E200	E200-K202 IonicContact OE1-NZ 2.64Å; E200-K202 PolarHBondContact OE1-NZ 2.8Å
203	K	41.4	Very low	41.3	Very low	142 Å²	142	138.5 Å²	138.5	62%	0.617	67%	0.669	S	S	*	*			cis	-157.4	149.3	5.3	-111.3	178.9	153.2	-72.5	0	108.4
204	D	39.6	Very low	41.4	Very low	115 Å²	115	138.8 Å²	138.8	62%	0.615	67%	0.67	S	S	*	*				51.8	150.9	92.5	-54	-18.5	0	0	0	115.4
205	D	45.2	Very low	41.3	Very low	135 Å²	135	139.7 Å²	139.7	72%	0.722	66%	0.663	S	S	*	*			trans	74.1	140.4	163.1	-44.2	-36.8	0	0	0	116.9
206	D	42.1	Very low	41.4	Very low	135 Å²	135	140.2 Å²	140.2	72%	0.722	67%	0.665	S	S	*	*			cis	-163.5	168.3	-25.2	-150.4	-12.4	0	0	0	111.2
207	D	40.8	Very low	41.6	Very low	99 Å²	99	136.4 Å²	136.4	53%	0.529	65%	0.654	S	S	.	*			trans	46.6	122.6	141.9	-103.7	-0	0	0	0	125.5
208	K	39.1	Very low	41.7	Very low	146 Å²	146	136.9 Å²	136.9	64%	0.635	66%	0.663	S	S	*	*				67.3	133.1	125.5	-77	176.1	-171.7	82.2	0	122.6
209	K	37.2	Very low	41.5	Very low	156 Å²	156	135 Å²	135	68%	0.678	67%	0.669	S	S	*	*				91.3	123.7	129.8	-81.9	171.4	-176.7	168.8	0	121.9
210	R	38.5	Very low	41.3	Very low	196 Å²	196	137.7 Å²	137.7	74%	0.74	68%	0.675	S	S	*	*			trans	85.4	115.8	130.1	-70.6	-172.2	169.4	162.1	-5.9	121.5
211	D	40.4	Very low	41.2	Very low	128 Å²	128	140.9 Å²	140.9	68%	0.684	69%	0.687	S	S	*	*				63.9	163.5	112.2	-46.1	-20.1	0	0	0	122
212	D	43.7	Very low	41	Very low	136 Å²	136	140.3 Å²	140.3	73%	0.727	68%	0.684	S	S	*	*			trans	77.7	87.7	159.1	-71.4	-50.3	0	0	0	121.2
213	N	41	Very low	41	Very low	137 Å²	137	138 Å²	138	73%	0.733	68%	0.68	S	S	*	*				70	113.7	106.5	-85.2	-51.6	0	0	0	121.5
214	D	42.8	Very low	41.1	Very low	115 Å²	115	137.9 Å²	137.9	62%	0.615	69%	0.686	S	S	*	*				90.7	155.3	112.9	-166.7	24.9	0	0	0	119.1
215	K	43.3	Very low	41.1	Very low	158 Å²	158	139.5 Å²	139.5	69%	0.687	69%	0.694	S	S	*	*			trans	73.8	145.1	170.1	-77.4	173.8	-173.4	74	0	116.3
216	K	42	Very low	40.8	Very low	153 Å²	153	138.9 Å²	138.9	67%	0.665	69%	0.691	S	S	*	*			cis	-160.8	159.4	21	-131.8	173.1	164.9	-67.3	0	115.9
217	D	43.9	Very low	40.8	Very low	107 Å²	107	140.3 Å²	140.3	57%	0.572	69%	0.691	S	S	*	*			trans	68.7	111	147.8	-61.3	-22.8	0	0	0	124.9
218	D	42.6	Very low	40.6	Very low	161 Å²	161	144.1 Å²	144.1	86%	0.861	70%	0.702	S	S	*	*				85.1	145.5	122.2	-73.8	-42.3	0	0	0	124.2
219	G	39.9	Very low	40.8	Very low	68 Å²	68	144.4 Å²	144.4	70%	0.701	71%	0.706	S	S	*	*			trans	-164.4	-91.4	-172.7	0	0	0	0	0	115.9
220	K	40.1	Very low	40.9	Very low	192 Å²	192	144.4 Å²	144.4	84%	0.835	71%	0.706	S	S	*	*			trans	71.9	124.5	-170.1	-81.3	176.9	-178.4	163.4	0	114.9
221	K	38.6	Very low	41	Very low	173 Å²	173	141.7 Å²	141.7	75%	0.752	71%	0.706	S	S	*	*				71.5	139.9	84.1	-69.9	-166.1	163.4	-169.6	0	113.6
222	K	38.7	Very low	40.9	Very low	142 Å²	142	142 Å²	142	62%	0.617	71%	0.708	S	S	*	*			cis	-167.2	157.6	-5.2	-118.2	-177.9	154.3	-71.6	0	111.5
223	D	40.4	Very low	40.8	Very low	105 Å²	105	144.7 Å²	144.7	56%	0.561	72%	0.716	S	S	*	*			trans	61	165.3	140.4	-54	-16.6	0	0	0	125.1
224	D	42.4	Very low	40.7	Very low	139 Å²	139	147.5 Å²	147.5	74%	0.743	72%	0.721	S	S	*	*			trans	83.3	88.9	147.8	-59.5	-22.9	0	0	0	122.7
225	D	39.7	Very low	40.7	Very low	149 Å²	149	149.2 Å²	149.2	80%	0.797	73%	0.726	S	S	*	*				82.4	118.6	108.7	-87	5.2	0	0	0	125.6
226	D	39	Very low	40.5	Very low	121 Å²	121	151.2 Å²	151.2	65%	0.647	73%	0.729	S	S	*	*				91.1	156.8	123.8	-161.2	26.7	0	0	0	121.4
227	K	42.7	Very low	40.7	Very low	166 Å²	166	150.5 Å²	150.5	72%	0.722	73%	0.732	S	S	*	*			trans	83.3	75.4	164.1	-53.8	-172.8	-179.4	57.6	0	120.9
228	K	36.3	Very low	40.7	Very low	178 Å²	178	150.8 Å²	150.8	77%	0.774	73%	0.734	S	S	*	*				31.5	115	101.5	-180	-166.6	178.7	-176.7	0	117.9
229	H	44.1	Very low	40.9	Very low	153 Å²	153	151 Å²	151	71%	0.708	73%	0.727	S	S	*	*				-171.1	131.1	126.7	-110.6	-104.1	0	0	0	106.4
230	K	38.1	Very low	40.9	Very low	156 Å²	156	156.4 Å²	156.4	68%	0.678	73%	0.731	S	S	*	*				62.3	116.3	66.2	-113.6	-168	172.5	-100.4	0	113.8
231	D	42	Very low	41	Very low	138 Å²	138	154.2 Å²	154.2	74%	0.738	73%	0.729	S	S	*	*				-173.2	174.5	105.8	-81.7	-25.2	0	0	0	111.7
232	D	38.7	Very low	41.3	Very low	136 Å²	136	154.1 Å²	154.1	73%	0.727	73%	0.728	S	S	*	*			trans	-109	152.8	-166.2	-61.7	-94.7	0	0	0	113.6
233	E	41.3	Very low	41.5	Very low	192 Å²	192	152.9 Å²	152.9	90%	0.897	73%	0.729	S	S	*	*			trans	176.9	133.5	144.9	-99.9	160.1	-167.4	0	0	108.9
234	K	37.6	Very low	41.8	Very low	195 Å²	195	153.1 Å²	153.1	85%	0.848	73%	0.73	S	S	*	*			cis	77.1	102.1	33.6	-82.4	-176.9	175.7	166.2	0	117
235	E	42.6	Very low	42	Very low	151 Å²	151	154.5 Å²	154.5	71%	0.706	73%	0.729	S	S	*	*				178.2	130.2	118.9	-93.2	-164.8	145.1	0	0	109.3
236	R	40.7	Very low	42.2	Very low	201 Å²	201	156.1 Å²	156.1	76%	0.758	73%	0.729	S	S	*	*				75.4	118.9	77.6	-75.4	-173.4	175.1	144.7	-10.6	115.6
237	D	44.7	Very low	42.6	Very low	138 Å²	138	155.2 Å²	155.2	74%	0.738	72%	0.724	S	S	*	*				176.4	114.8	102.6	-99.8	-10.4	0	0	0	116
238	D	43.7	Very low	42.8	Very low	112 Å²	112	154.5 Å²	154.5	60%	0.599	72%	0.721	S	S	*	*				53	130.6	121.9	-97.3	-22.7	0	0	0	126.9
239	K	47	Very low	43.2	Very low	166 Å²	166	151.6 Å²	151.6	72%	0.722	71%	0.714	S	S	*	*			trans	76.1	155.7	144.6	-60.1	157.1	-169.2	139.5	0	117.7
240	K	40.3	Very low	43.2	Very low	182 Å²	182	149.6 Å²	149.6	79%	0.791	71%	0.709	S	S	*	*			cis	-158.2	163.1	8.1	-144	174	-178.5	175.8	0	113.1
241	D	41.4	Very low	43.5	Very low	145 Å²	145	149.5 Å²	149.5	78%	0.775	71%	0.708	S	S	*	*			trans	-78.3	-178.1	176.1	-39.6	-100.6	0	0	0	115.8
242	K	44.9	Very low	43.3	Very low	172 Å²	172	150.3 Å²	150.3	75%	0.748	71%	0.705	S	S	*	*			trans	111.6	152.4	163.3	-64.7	178.2	152.9	-76.5	0	115.9
243	D	44.5	Very low	43.5	Very low	116 Å²	116	148.7 Å²	148.7	62%	0.62	70%	0.696	S	S	*	*			cis	-166.6	162.6	-20.7	-98.6	-23.2	0	0	0	109.7
244	D	45.8	Very low	43.7	Very low	110 Å²	110	146.8 Å²	146.8	59%	0.588	69%	0.685	S	S	*	*			trans	72.4	105.3	143.7	-83.6	11.9	0	0	0	127
245	K	47.2	Very low	43.9	Very low	168 Å²	168	143 Å²	143	73%	0.73	68%	0.675	S	S	*	*				73.7	157.4	114.1	-67.9	-177.5	-177.1	78.5	0	123.9
246	K	43.1	Very low	44	Very low	182 Å²	182	141.6 Å²	141.6	79%	0.791	67%	0.672	S	S	*	*			trans	100.8	132	137.1	-142.6	153.8	-174.2	-177.1	0	116.7
247	D	46.9	Very low	44.3	Very low	103 Å²	103	139.5 Å²	139.5	55%	0.551	67%	0.668	S	S	*	*			cis	-175.5	157	-13.1	-123	-10.1	0	0	0	111.8
248	K	46.9	Very low	44.2	Very low	150 Å²	150	140.2 Å²	140.2	65%	0.652	66%	0.664	S	S	*	*			trans	68.1	160.4	142.9	-65.5	-176.1	166.4	50.4	0	122.1
249	D	45	Very low	44.3	Very low	117 Å²	117	139.8 Å²	139.8	63%	0.626	66%	0.662	S	S	*	*			cis	-167.3	159.9	-24.6	-98.1	-14.3	0	0	0	110
250	D	44	Very low	44.3	Very low	112 Å²	112	139 Å²	139	60%	0.599	66%	0.659	S	S	*	*			trans	63.8	158.6	141.6	-78.9	18.6	0	0	0	124.1
251	K	44.1	Very low	44.5	Very low	153 Å²	153	135.6 Å²	135.6	67%	0.665	65%	0.65	S	S	*	*			cis	-169.9	140.4	-32.1	-119.1	-172.1	-158	80.2	0	111.7
252	K	39.3	Very low	44.7	Very low	155 Å²	155	134.2 Å²	134.2	67%	0.674	64%	0.642	S	S	*	*			trans	62.5	149.5	133	-118.9	175.3	158.3	-73.6	0	124.6
253	D	43.3	Very low	44.7	Very low	102 Å²	102	134.4 Å²	134.4	55%	0.545	64%	0.643	S	S	.	*			trans	87.5	101.8	142.1	-70.5	-31.3	0	0	0	124.9
254	K	44.1	Very low	44.5	Very low	153 Å²	153	138.5 Å²	138.5	67%	0.665	66%	0.655	S	S	*	*				89.7	125.6	108.4	-77.2	-177.1	152.7	-66.4	0	125.6
255	D	42.7	Very low	44.5	Very low	116 Å²	116	139.3 Å²	139.3	62%	0.62	66%	0.659	S	S	*	*				77.2	126.6	126.8	-55.6	-9.6	0	0	0	124.4
256	D	43.8	Very low	44.4	Very low	121 Å²	121	139.5 Å²	139.5	65%	0.647	66%	0.66	S	S	*	*				96.4	113.9	129.1	-92.7	-6.2	0	0	0	125.9
257	K	47.1	Very low	44.4	Very low	157 Å²	157	136.8 Å²	136.8	68%	0.683	66%	0.655	S	S	*	*				78.9	115.1	125.7	-75.8	175.2	179.2	74.6	0	124
258	K	43.7	Very low	44.3	Very low	152 Å²	152	137.8 Å²	137.8	66%	0.661	66%	0.66	S	S	*	*				110.6	140.1	107.5	-97.9	-172.6	151.9	-78.6	0	121.5
259	D	45.7	Very low	44.2	Very low	104 Å²	104	137.4 Å²	137.4	56%	0.556	66%	0.658	S	S	*	*			trans	65.1	143.5	141.6	-69.2	11.4	0	0	0	119.2
260	K	46.6	Very low	44.2	Very low	148 Å²	148	139.1 Å²	139.1	64%	0.643	66%	0.664	S	S	*	*			cis	-171.1	162.1	4.1	-117.8	174.3	154.8	-70.2	0	114
261	D	44.5	Very low	44.1	Very low	112 Å²	112	142.7 Å²	142.7	60%	0.599	68%	0.677	S	S	*	*			trans	67.1	119.8	142.2	-57.6	-17.7	0	0	0	125.4
262	D	44.4	Very low	43.9	Very low	116 Å²	116	144.1 Å²	144.1	62%	0.62	68%	0.683	S	S	*	*				78.9	108.2	128.5	-79	-38.1	0	0	0	125.9
263	K	46	Very low	44	Very low	176 Å²	176	144.7 Å²	144.7	77%	0.765	69%	0.688	S	S	*	*				35.2	131.6	122.8	-58	-174.9	-164.5	81.7	0	120.7
264	K	40.7	Very low	43.9	Very low	201 Å²	201	144.8 Å²	144.8	87%	0.874	69%	0.689	S	S	*	*				-151.9	150.2	114.6	-148.7	164.2	-174.4	173.5	0	113.7
265	D	45.9	Very low	43.9	Very low	127 Å²	127	145.2 Å²	145.2	68%	0.679	69%	0.691	S	S	*	*			trans	-74.8	160.7	177	-31.8	-101.2	0	0	0	112.7
266	K	44.6	Very low	44	Very low	173 Å²	173	147.8 Å²	147.8	75%	0.752	70%	0.701	S	S	*	*				143.2	147.3	102.4	-112.9	170.5	171.8	-177.3	0	117.4
267	D	43.5	Very low	44.1	Very low	125 Å²	125	146.9 Å²	146.9	67%	0.668	70%	0.696	S	S	*	*			trans	65.3	126.5	145.8	-58.8	-31.2	0	0	0	122.1
268	D	44.1	Very low	44	Very low	123 Å²	123	147 Å²	147	66%	0.658	70%	0.697	S	S	*	*				117.5	130.6	116.7	-112.3	-15.6	0	0	0	121.5
269	K	45.6	Very low	44	Very low	143 Å²	143	146.6 Å²	146.6	62%	0.622	70%	0.702	S	S	*	*			trans	72.3	110	142.8	-78.5	167.3	-178.1	69	0	123.8
270	M	44.1	Very low	44	Very low	153 Å²	153	146.9 Å²	146.9	75%	0.754	70%	0.703	S	S	*	*				62.9	123	116.5	-65.7	171.5	62.8	0	0	120.3
271	H	43.4	Very low	43.8	Very low	187 Å²	187	147 Å²	147	87%	0.866	70%	0.704	S	S	*	*				-143.3	168.7	107	-117.2	-86.4	0	0	0	111
272	K	39.1	Very low	43.9	Very low	183 Å²	183	149.4 Å²	149.4	80%	0.796	71%	0.711	S	S	*	*			trans	-148.4	-177.7	-172.3	-158.8	179.8	179.2	-176	0	108.7
273	E	41.5	Very low	43.8	Very low	167 Å²	167	153.2 Å²	153.2	78%	0.78	72%	0.722	S	S	*	*			trans	89.4	145.4	176.8	-55.6	162.2	-163.1	0	0	112.6
274	D	41.2	Very low	43.5	Very low	104 Å²	104	148.4 Å²	148.4	56%	0.556	72%	0.723	S	S	*	*			cis	-160.6	159.4	11.8	-145.5	-16.3	0	0	0	115.5
275	K	44.4	Very low	43.5	Very low	162 Å²	162	146.5 Å²	146.5	70%	0.704	72%	0.722	S	S	*	*			trans	59	148.1	162.1	-69.9	136.6	-172.2	155	0	117.7
276	M	44.6	Very low	43.3	Very low	170 Å²	170	146.2 Å²	146.2	84%	0.837	72%	0.721	S	S	*	*			cis	-166	178.3	3	-121.7	170.1	175.2	0	0	107.5
277	D	45.3	Very low	43.1	Very low	102 Å²	102	146 Å²	146	55%	0.545	72%	0.72	S	S	.	*			cis	-163.8	145.2	0.4	170.7	35.7	0	0	0	108.3
278	K	44	Very low	42.9	Very low	159 Å²	159	148.8 Å²	148.8	69%	0.691	73%	0.726	S	S	*	*			trans	62	127.5	177.5	-67.9	144.3	-170.7	140.3	0	118.2
279	D	44.7	Very low	42.7	Very low	144 Å²	144	150.8 Å²	150.8	77%	0.77	73%	0.729	S	S	*	*			cis	77.3	136	37.8	-54.9	-47.1	0	0	0	113.6
280	D	45	Very low	42.6	Very low	109 Å²	109	149.1 Å²	149.1	58%	0.583	73%	0.727	S	S	*	*			cis	-157.8	161.7	11.1	-153.6	-2.5	0	0	0	113.1
281	K	44.2	Very low	42.6	Very low	152 Å²	152	149 Å²	149	66%	0.661	73%	0.729	S	S	*	*			trans	41.2	153.1	149.3	-82.3	167.6	-161.4	72.9	0	123.3
282	Q	45	Very low	42.5	Very low	162 Å²	162	146.4 Å²	146.4	76%	0.757	72%	0.722	S	S	*	*			cis	-163.4	168.4	-23.7	-133.1	174.3	-6.4	0	0	111.1
283	K	42	Very low	42.8	Very low	195 Å²	195	143.4 Å²	143.4	85%	0.848	71%	0.714	S	S	*	*			trans	-48.1	154.4	176.2	-50.5	169.7	-179.3	-178.8	0	115.9
284	G	39.8	Very low	42.9	Very low	75 Å²	75	143.1 Å²	143.1	77%	0.773	71%	0.71	S	S	*	*			trans	-180	121.7	158	0	0	0	0	0	112.4
285	D	42	Very low	43.1	Very low	162 Å²	162	146.7 Å²	146.7	87%	0.866	72%	0.716	S	S	*	*			trans	-90.5	166.1	-177	-63.5	-86.7	0	0	0	113.8
286	D	41.3	Very low	43	Very low	121 Å²	121	147.6 Å²	147.6	65%	0.647	72%	0.72	S	S	*	*			trans	100.4	109.3	139.5	-142.4	25.5	0	0	0	121
287	K	40.5	Very low	42.9	Very low	169 Å²	169	147.5 Å²	147.5	74%	0.735	72%	0.723	S	S	*	*			trans	70.7	147.1	152	-76.8	165.4	-169.4	75.3	0	122
288	K	39.2	Very low	42.7	Very low	182 Å²	182	147.8 Å²	147.8	79%	0.791	72%	0.724	S	S	*	*			trans	77.8	133.6	151.7	-100.3	179	179.4	174.5	0	118.1
289	K	40.8	Very low	42.6	Very low	165 Å²	165	148.4 Å²	148.4	72%	0.717	73%	0.73	S	S	*	*			trans	67.9	159.6	155.3	-63	-179.9	146.6	-74.1	0	115.3
290	D	43	Very low	42.7	Very low	109 Å²	109	148.9 Å²	148.9	58%	0.583	73%	0.732	S	S	*	*			cis	-157.8	155.9	-31.9	-83.3	-26.8	0	0	0	104
291	D	43.7	Very low	42.5	Very low	150 Å²	150	151 Å²	151	80%	0.802	74%	0.736	S	S	*	*			trans	36.2	128.1	151.1	-48.4	-25.8	0	0	0	123.8
292	D	42	Very low	42.4	Very low	133 Å²	133	152 Å²	152	71%	0.711	74%	0.741	S	S	*	*			trans	31.4	113.6	138.6	-86.4	6.8	0	0	0	123
293	D	44.1	Very low	42.3	Very low	120 Å²	120	152.7 Å²	152.7	64%	0.642	74%	0.741	S	S	*	*				-160.8	124.6	125.8	-118.4	-28	0	0	0	106.6	R295	D293-R295 IonicContact OD1-CZ 2.89Å; D293-R295 IonicContact OD1-NE 2.98Å; D293-R295 PolarHBondContact OD1-NE 3.09Å; D293-R295 VanDerWaalsContact OD1-NE 3.12Å; D293-R295 IonicContact OD1-NH2 2.74Å; D293-R295 PolarHBondContact OD1-NH2 2.94Å; D293-R295 VanDerWaalsContact OD1-NH2 3.08Å; D293-R295 IonicContact OD2-NH2 3.42Å
294	K	45.1	Very low	42.4	Very low	160 Å²	160	149.8 Å²	149.8	70%	0.696	73%	0.73	S	S	*	*			cis	84.3	149.1	20.8	-149.2	170.4	-166.4	159.8	0	114.5
295	R	43.5	Very low	42.3	Very low	180 Å²	180	153.3 Å²	153.3	68%	0.679	73%	0.731	S	S	*	*			trans	75.8	145.2	-176.7	-49.1	172.5	-124.8	-151.5	1.2	113.8	D293	D293-R295 IonicContact OD1-CZ 2.89Å; D293-R295 IonicContact OD1-NE 2.98Å; D293-R295 PolarHBondContact OD1-NE 3.09Å; D293-R295 VanDerWaalsContact OD1-NE 3.12Å; D293-R295 IonicContact OD1-NH2 2.74Å; D293-R295 PolarHBondContact OD1-NH2 2.94Å; D293-R295 VanDerWaalsContact OD1-NH2 3.08Å; D293-R295 IonicContact OD2-NH2 3.42Å
296	K	43	Very low	42.3	Very low	181 Å²	181	151.7 Å²	151.7	79%	0.787	72%	0.723	S	S	*	*	S	Bend	cis	-125.9	123.8	13.1	-66.3	170.3	-176.5	176.7	0	112.5
297	N	42.1	Very low	42.5	Very low	167 Å²	167	152.4 Å²	152.4	89%	0.893	73%	0.725	S	S	*	*				-153.3	97.6	124.2	-114.8	16	0	0	0	106.1
298	D	42.5	Very low	42.5	Very low	108 Å²	108	153.4 Å²	153.4	58%	0.578	73%	0.729	S	S	*	*			trans	-76.1	157.8	162.8	-48.5	-95.2	0	0	0	107.1
299	E	41.4	Very low	42.5	Very low	172 Å²	172	153.3 Å²	153.3	80%	0.804	73%	0.729	S	S	*	*			cis	-129.6	157.1	14.6	-63.7	168.7	113.2	0	0	108.3
300	D	46.8	Very low	42.7	Very low	154 Å²	154	152.9 Å²	152.9	82%	0.824	74%	0.735	S	S	*	*				-164.2	-176.4	68.9	-141.3	-31.3	0	0	0	113.5
301	K	41.7	Very low	42.6	Very low	154 Å²	154	154.4 Å²	154.4	67%	0.67	74%	0.743	S	S	*	*			trans	-132.8	170.4	-174.7	-52.7	179.1	178.5	70.7	0	110.6
302	K	41.4	Very low	42.5	Very low	173 Å²	173	154.9 Å²	154.9	75%	0.752	75%	0.745	S	S	*	*			cis	-176.1	137.5	24.6	-148	168.7	-174.6	176.9	0	111.1
303	K	42.2	Very low	42.6	Very low	176 Å²	176	155.4 Å²	155.4	77%	0.765	75%	0.748	S	S	*	*			trans	64.4	158	156.5	-71.1	175.2	167.2	-143.6	0	118.6
304	H	44.2	Very low	42.5	Very low	135 Å²	135	154.7 Å²	154.7	63%	0.625	74%	0.744	S	S	*	*			cis	-148.2	154.5	-4.6	-147.2	-88.1	0	0	0	109.9	D306	H304-D306 IonicContact CE1-OD2 3.5Å; H304-D306 PolarHBondContact CE1-OD2 2.84Å; H304-D306 VanDerWaalsContact CE1-OD2 3.24Å; H304-D306 IonicContact ND1-OD2 3.95Å; H304-D306 PolarHBondContact ND1-OD2 2.77Å
305	D	37.7	Very low	42.3	Very low	148 Å²	148	155 Å²	155	79%	0.791	75%	0.746	S	S	*	*			trans	-113.7	143.6	163.5	-80.3	-66.1	0	0	0	109.8
306	D	43.2	Very low	42	Very low	129 Å²	129	154.5 Å²	154.5	69%	0.69	75%	0.748	S	S	*	*			trans	-165.6	99.9	158.7	-89.3	-52.1	0	0	0	106.6	H304	H304-D306 IonicContact CE1-OD2 3.5Å; H304-D306 PolarHBondContact CE1-OD2 2.84Å; H304-D306 VanDerWaalsContact CE1-OD2 3.24Å; H304-D306 IonicContact ND1-OD2 3.95Å; H304-D306 PolarHBondContact ND1-OD2 2.77Å
307	I	43.7	Very low	42.2	Very low	136 Å²	136	152.4 Å²	152.4	70%	0.697	75%	0.746	S	S	*	*				82.7	101.2	79.2	-69.8	174.2	0	0	0	114.3
308	K	40.8	Very low	42.4	Very low	189 Å²	189	151 Å²	151	82%	0.822	74%	0.739	S	S	*	*			trans	57.5	130.2	143.8	-63.2	176.3	-174.4	171.6	0	122
309	K	39.7	Very low	42.5	Very low	181 Å²	181	152.9 Å²	152.9	79%	0.787	75%	0.748	S	S	*	*			trans	9.7	130.9	132.5	-58.3	-174.7	172.7	-161.4	0	118.8
310	D	44	Very low	42.5	Very low	155 Å²	155	150.5 Å²	150.5	83%	0.829	74%	0.737	S	S	*	*				-150.4	118.3	110	-77	-36.2	0	0	0	104.6
311	D	42.7	Very low	42.3	Very low	142 Å²	142	147.7 Å²	147.7	76%	0.759	73%	0.73	S	S	*	*				82.2	149.4	84.8	-81.1	14.3	0	0	0	113.8
312	D	41.3	Very low	42.4	Very low	159 Å²	159	148.9 Å²	148.9	85%	0.85	73%	0.73	S	S	*	*			trans	-68.3	150.4	-167.6	-60.1	-86.5	0	0	0	114.8
313	D	44.5	Very low	42.7	Very low	145 Å²	145	148.5 Å²	148.5	78%	0.775	73%	0.728	S	S	*	*				-165.1	149.1	112.9	-130.1	-25.2	0	0	0	118.3
314	N	41.2	Very low	43.1	Very low	105 Å²	105	146.2 Å²	146.2	56%	0.561	72%	0.724	S	S	*	*			trans	25.7	131.1	149.2	-95.2	-74.8	0	0	0	125.3
315	K	41	Very low	43.3	Very low	166 Å²	166	146.7 Å²	146.7	72%	0.722	73%	0.732	S	S	*	*			trans	68.2	131.8	130.9	-85.8	-179.4	-166.5	97.3	0	122.8
316	K	37.9	Very low	43.8	Very low	169 Å²	169	145.7 Å²	145.7	74%	0.735	73%	0.726	S	S	*	*				28.1	134.1	121.5	-62.2	-171.8	168.7	-155	0	119.4
317	D	46.3	Very low	44	Very low	138 Å²	138	143.7 Å²	143.7	74%	0.738	72%	0.716	S	S	*	*				-152.8	134	96	-80.8	-21.1	0	0	0	106.8
318	D	45.7	Very low	44.2	Very low	138 Å²	138	144.8 Å²	144.8	74%	0.738	72%	0.715	S	S	*	*				69.9	145.2	101.3	-65.9	-3.8	0	0	0	114.7
319	D	44.8	Very low	44.3	Very low	146 Å²	146	143 Å²	143	78%	0.781	71%	0.707	S	S	*	*			cis	-165.7	-171	-21.5	-169.9	9.3	0	0	0	107.3
320	E	42.1	Very low	44.3	Very low	123 Å²	123	141 Å²	141	58%	0.575	71%	0.705	S	S	*	*			trans	71.6	98.1	157.9	-71.5	-130.6	100.4	0	0	119.9	R322	E320-R322 IonicContact OE1-CZ 3.63Å; E320-R322 IonicContact OE1-NH1 3.57Å; E320-R322 PolarHBondContact OE1-NH1 2.87Å; E320-R322 IonicContact OE1-NH2 3.94Å; E320-R322 PolarHBondContact OE1-NH2 3.24Å
321	S	41.6	Very low	44.3	Very low	94 Å²	94	139.9 Å²	139.9	66%	0.657	70%	0.704	S	S	*	*				90.2	151.8	117.2	92.3	0	0	0	0	117.9
322	R	44.4	Very low	44	Very low	179 Å²	179	136.5 Å²	136.5	68%	0.675	70%	0.703	S	S	*	*			cis	-167.8	153.7	-10.5	-122.7	172.9	-162.5	108.8	5.6	109	E320	E320-R322 IonicContact OE1-CZ 3.63Å; E320-R322 IonicContact OE1-NH1 3.57Å; E320-R322 PolarHBondContact OE1-NH1 2.87Å; E320-R322 IonicContact OE1-NH2 3.94Å; E320-R322 PolarHBondContact OE1-NH2 3.24Å
323	K	48.9	Very low	44	Very low	166 Å²	166	134.8 Å²	134.8	72%	0.722	69%	0.694	S	S	*	*			trans	68.9	154.9	150.4	-65.8	-178.2	162.3	-153.7	0	117.8
324	D	49.1	Very low	44	Very low	127 Å²	127	135 Å²	135	68%	0.679	69%	0.688	S	S	*	*			cis	-146.4	171.9	-22.6	-88.7	-29.5	0	0	0	103.8
325	D	49.7	Very low	43.8	Very low	146 Å²	146	139.1 Å²	139.1	78%	0.781	70%	0.7	S	S	*	*			cis	-156.1	-174	24.7	-154.1	-10.7	0	0	0	111.1
326	D	48	Very low	43.6	Very low	126 Å²	126	135 Å²	135	67%	0.674	69%	0.693	S	S	*	*			trans	-50.6	135.9	177.7	-95.8	-6.3	0	0	0	118.7
327	D	47.7	Very low	43.9	Very low	88 Å²	88	134.7 Å²	134.7	47%	0.471	70%	0.698	S	S	.	*				92.8	163.6	85	-138.8	16.4	0	0	0	111.2	K329	D327-K329 IonicContact OD1-NZ 2.69Å; D327-K329 PolarHBondContact OD1-NZ 3.47Å; D327-K329 IonicContact OD2-NZ 3.43Å; D327-K329 PolarHBondContact OD2-NZ 2.79Å
328	K	46.3	Very low	43.4	Very low	158 Å²	158	134.1 Å²	134.1	69%	0.687	70%	0.695	S	S	*	*			cis	-153.3	162.9	20.3	-163.3	169.9	-108.8	76.7	0	113.2
329	K	44	Very low	43.1	Very low	152 Å²	152	132.7 Å²	132.7	66%	0.661	69%	0.688	S	S	*	*			trans	-52.4	165.7	176	-51.3	92.9	-177.2	151.2	0	112.8	D327	D327-K329 IonicContact OD1-NZ 2.69Å; D327-K329 PolarHBondContact OD1-NZ 3.47Å; D327-K329 IonicContact OD2-NZ 3.43Å; D327-K329 PolarHBondContact OD2-NZ 2.79Å
330	N	40.2	Very low	42.8	Very low	139 Å²	139	133.4 Å²	133.4	74%	0.743	68%	0.684	S	S	*	*			cis	-165.5	135.1	44.6	-133.8	19.3	0	0	0	109.4
331	V	42.6	Very low	42.8	Very low	132 Å²	132	134.1 Å²	134.1	80%	0.8	69%	0.691	S	S	*	*				52.8	119.1	84.9	-172.4	0	0	0	0	115.8
332	G	36.3	Very low	42.6	Very low	71 Å²	71	138 Å²	138	73%	0.732	70%	0.697	S	S	*	*			trans	116.8	143.2	168.9	0	0	0	0	0	113.8
333	D	41.6	Very low	42.6	Very low	123 Å²	123	136.9 Å²	136.9	66%	0.658	70%	0.704	S	S	*	*			cis	-165.9	159.7	0.2	-152.9	-7.7	0	0	0	112.3
334	K	44.7	Very low	42.2	Very low	150 Å²	150	135.6 Å²	135.6	65%	0.652	71%	0.705	S	S	*	*			trans	50	120.1	151.3	-83.3	159.4	-164.4	77.1	0	120.4
335	K	38.3	Very low	41.8	Very low	190 Å²	190	136.7 Å²	136.7	83%	0.826	71%	0.71	S	S	*	*				72.9	156.5	92.9	-83.3	-164.7	176.4	-173.2	0	115.5
336	S	36.7	Very low	41.6	Very low	80 Å²	80	135.9 Å²	135.9	56%	0.559	71%	0.706	S	S	*	*			cis	174.3	164.9	-23.6	56.9	0	0	0	0	108.6
337	L	43.3	Very low	41.2	Very low	162 Å²	162	137.7 Å²	137.7	85%	0.848	71%	0.711	S	S	*	*			trans	77.7	133.1	175	-50.4	173.1	0	0	0	112.9
338	N	35	Very low	40.8	Very low	126 Å²	126	141 Å²	141	67%	0.674	72%	0.721	S	S	*	*			cis	103.9	149.2	31.9	-170.5	77	0	0	0	111.4
339	D	40.2	Very low	40.5	Very low	109 Å²	109	141.5 Å²	141.5	58%	0.583	72%	0.723	S	S	*	*			trans	72.9	146.4	-178.5	-61.7	-61.1	0	0	0	116.6
340	K	39.3	Very low	40.5	Very low	161 Å²	161	140.6 Å²	140.6	70%	0.7	73%	0.725	S	S	*	*			cis	-167	160.7	-28.2	-122.1	-173.8	-166.7	86.8	0	109.2
341	N	41.5	Very low	40.6	Very low	137 Å²	137	140.4 Å²	140.4	73%	0.733	72%	0.72	S	S	*	*			trans	68.1	136.3	163.3	-65.8	-18.6	0	0	0	119.6
342	K	36.2	Very low	40.6	Very low	177 Å²	177	141.6 Å²	141.6	77%	0.77	72%	0.722	S	S	*	*			trans	33.3	131.5	135	-60.1	-174.6	174.6	-173	0	118.6
343	D	45.1	Very low	40.8	Very low	155 Å²	155	146.7 Å²	146.7	83%	0.829	72%	0.724	S	S	*	*				-136.7	-175.3	61.9	-84.1	-41.9	0	0	0	115.2
344	N	40.2	Very low	40.7	Very low	138 Å²	138	152.1 Å²	152.1	74%	0.738	74%	0.735	S	S	*	*			trans	-93.5	172.4	-170.2	-81.1	3.6	0	0	0	114.5
345	D	42	Very low	40.6	Very low	150 Å²	150	153.9 Å²	153.9	80%	0.802	74%	0.743	S	S	*	*			trans	96.2	134.6	149	-60	-35.1	0	0	0	120.6
346	D	43.7	Very low	40.5	Very low	129 Å²	129	152 Å²	152	69%	0.69	74%	0.742	S	S	*	*			trans	58.4	105.1	162.5	-82	-46.7	0	0	0	122.4
347	Q	41	Very low	41	Very low	165 Å²	165	156.4 Å²	156.4	77%	0.771	76%	0.759	S	S	*	*			trans	72.3	142.8	138	-58.6	166.6	44.5	0	0	116.4
348	K	38.3	Very low	40.7	Very low	157 Å²	157	155.8 Å²	155.8	68%	0.683	76%	0.757	S	S	*	*			cis	-151.5	152.3	18.4	-154.3	177.3	175.4	-118.7	0	109.9	D350	K348-D350 IonicContact NZ-OD1 2.6Å; K348-D350 PolarHBondContact NZ-OD1 2.75Å; K348-D350 IonicContact NZ-OD2 2.67Å
349	K	41	Very low	41.2	Very low	168 Å²	168	157.7 Å²	157.7	73%	0.73	77%	0.767	S	S	*	*			trans	-108.5	128.2	163.9	-96.4	-169.8	161.7	-154.4	0	108.5	E351	K349-E351 IonicContact NZ-OE1 2.56Å; K349-E351 PolarHBondContact NZ-OE1 3.45Å
350	D	44.3	Very low	41.1	Very low	133 Å²	133	159.1 Å²	159.1	71%	0.711	77%	0.768	S	S	*	*			trans	-107.4	103.3	166.6	-63.9	-57.6	0	0	0	107.7	K348	K348-D350 IonicContact NZ-OD1 2.6Å; K348-D350 PolarHBondContact NZ-OD1 2.75Å; K348-D350 IonicContact NZ-OD2 2.67Å
351	E	42.1	Very low	41.1	Very low	135 Å²	135	161.2 Å²	161.2	63%	0.631	78%	0.777	S	S	*	*			trans	-114.7	116.2	170.2	-78.3	174.3	-160.2	0	0	107.3	K349 K353	K349-E351 IonicContact NZ-OE1 2.56Å; K349-E351 PolarHBondContact NZ-OE1 3.45Å; E351-K353 PolarHBondContact O-N 2.92Å; E351-K353 VanDerWaalsContact O-N 3.1Å
352	D	42.8	Very low	41	Very low	157 Å²	157	160.6 Å²	160.6	84%	0.84	77%	0.77	S	S	*	*			trans	-73.8	104	-168	-123.3	-43.1	0	0	0	112
353	K	38.8	Very low	41.1	Very low	179 Å²	179	159.5 Å²	159.5	78%	0.778	77%	0.772	S	S	*	*			trans	-112.8	125.6	165.5	-77.3	-174.6	176.8	-178.8	0	109.9	E351	E351-K353 PolarHBondContact O-N 2.92Å; E351-K353 VanDerWaalsContact O-N 3.1Å
354	R	40.8	Very low	40.9	Very low	237 Å²	237	158.3 Å²	158.3	89%	0.894	77%	0.766	S	S	*	*			trans	-104	99.2	156.8	-58.4	-179.9	-173.5	-176.4	1.1	105.6
355	K	41.3	Very low	40.9	Very low	187 Å²	187	159.5 Å²	159.5	81%	0.813	77%	0.772	S	S	*	*				72.9	108	67.7	-75.3	-167.1	171.7	-169	0	112.6
356	D	37.8	Very low	40.9	Very low	151 Å²	151	159.7 Å²	159.7	81%	0.807	77%	0.766	S	S	*	*			trans	-73.5	150.8	164.1	-35.5	-103	0	0	0	110.4
357	D	45.6	Very low	40.5	Very low	171 Å²	171	162.5 Å²	162.5	91%	0.914	77%	0.772	S	S	*	*			trans	-116.5	127.3	154.6	-76.7	-52.3	0	0	0	107
358	N	37.8	Very low	40.6	Very low	150 Å²	150	162.6 Å²	162.6	80%	0.802	78%	0.778	S	S	*	*			trans	-141.8	99.4	-174.6	178.7	11.2	0	0	0	110.2
359	D	45.4	Very low	40.6	Very low	166 Å²	166	163.5 Å²	163.5	89%	0.888	79%	0.79	S	S	*	*			trans	-109.1	81.9	179.9	-111.7	-37.6	0	0	0	112
360	K	37.9	Very low	40.6	Very low	139 Å²	139	161.8 Å²	161.8	60%	0.604	79%	0.789	S	S	*	*			trans	36.8	113.6	134	-169.7	-178.7	-179	-169.7	0	118.4	E362	K360-E362 WeakPolarHBondContact CE-OE1 3.35Å; K360-E362 IonicContact NZ-OE1 3.98Å; K360-E362 PolarHBondContact NZ-OE1 3.39Å
361	K	38.8	Very low	40.2	Very low	204 Å²	204	166.9 Å²	166.9	89%	0.887	80%	0.8	S	S	*	*			trans	-149.3	162.9	134.6	-120	165.2	-172.3	173	0	113
362	E	39.7	Very low	40.1	Very low	124 Å²	124	170.3 Å²	170.3	58%	0.579	81%	0.813	S	S	*	*			trans	-104	155.1	-154.7	-68.7	140.4	157.1	0	0	113.5	K360	K360-E362 WeakPolarHBondContact CE-OE1 3.35Å; K360-E362 IonicContact NZ-OE1 3.98Å; K360-E362 PolarHBondContact NZ-OE1 3.39Å
363	D	38.2	Very low	39.7	Very low	154 Å²	154	172 Å²	172	82%	0.824	81%	0.813	S	S	*	*			trans	43.8	112.6	151.9	-50	-14.8	0	0	0	121.4
364	D	42.1	Very low	39.5	Very low	131 Å²	131	175 Å²	175	70%	0.701	82%	0.819	S	S	*	*				-161.5	90.2	125.9	-134.7	-22.1	0	0	0	113.1	K366	D364-K366 PolarHBondContact O-N 2.67Å; D364-K366 IonicContact OD1-NZ 3.08Å; D364-K366 PolarHBondContact OD1-NZ 2.88Å
365	D	39.1	Very low	39.1	Very low	163 Å²	163	171.7 Å²	171.7	87%	0.872	82%	0.819	S	S	*	*			trans	-76.7	100	169.6	-93	-52.5	0	0	0	111.2
366	K	42.8	Very low	38.7	Very low	153 Å²	153	169.7 Å²	169.7	67%	0.665	82%	0.818	S	S	*	*			trans	-152.2	124.8	159	-84.4	106.8	-165.1	157.3	0	113.9	D364	D364-K366 PolarHBondContact O-N 2.67Å; D364-K366 IonicContact OD1-NZ 3.08Å; D364-K366 PolarHBondContact OD1-NZ 2.88Å
367	K	35.2	Very low	38.6	Very low	189 Å²	189	169.7 Å²	169.7	82%	0.822	82%	0.823	S	S	*	*			trans	60.3	117	146.2	-58.8	175.4	-179.7	-179.2	0	118.3
368	D	43.8	Very low	38.1	Very low	167 Å²	167	170.1 Å²	170.1	89%	0.893	82%	0.816	S	S	*	*				-158.2	51.1	125.1	-104.9	-17.4	0	0	0	112.1	D370	D368-D370 VanDerWaalsContact C-N 3.32Å; D368-D370 PolarHBondContact O-N 2.92Å
369	D	37.1	Very low	37.8	Very low	176 Å²	176	172 Å²	172	94%	0.941	82%	0.818	S	S	*	*			trans	-88.2	52.7	176.5	-103.5	-47.6	0	0	0	112.4
370	D	40.3	Very low	37.3	Very low	132 Å²	132	173.6 Å²	173.6	71%	0.706	82%	0.816	S	S	*	*			trans	-140.3	64.9	174.6	-157.7	1.8	0	0	0	114.9	D368	D368-D370 VanDerWaalsContact C-N 3.32Å; D368-D370 PolarHBondContact O-N 2.92Å
371	Y	36.5	Very low	37.1	Very low	240 Å²	240	173.2 Å²	173.2	94%	0.941	82%	0.821	S	S	*	*	S	Bend	trans	-137.7	44.7	161	-133.3	-85.9	0	0	0	113.4
372	K	39.2	Very low	37	Very low	207 Å²	207	171.7 Å²	171.7	90%	0.9	82%	0.823	S	S	*	*			trans	-142.3	30.2	-172.2	-133.5	169.5	-170.4	170.4	0	116
373	K	35.9	Very low	36.6	Very low	193 Å²	193	169.1 Å²	169.1	84%	0.839	83%	0.829	S	S	*	*			trans	-144.3	41.6	-178.1	-146.3	169.1	-174.2	173.6	0	117.8
374	R	34.9	Very low	36.4	Very low	241 Å²	241	167.9 Å²	167.9	91%	0.909	82%	0.822	S	S	*	*	S	Bend	trans	-141.2	85.4	163.5	-66.8	-171.5	-169.4	170.9	6.8	112
375	N	32.7	Very low	36.1	Very low	167 Å²	167	168.8 Å²	168.8	89%	0.893	82%	0.82	S	S	*	*	S	Bend	trans	176.1	60.7	151.9	-93.9	-14.1	0	0	0	111.1
376	D	31.5	Very low	36	Very low	146 Å²	146	167.8 Å²	167.8	78%	0.781	81%	0.81	S	S	*	*			trans	-153.8	67.7	171.5	-125.9	-32.3	0	0	0	112.5
377	V	35.1	Very low	35.7	Very low	151 Å²	151	168.5 Å²	168.5	92%	0.915	82%	0.821	S	S	*	*			trans	-122.5	84.4	156.6	-176.9	0	0	0	0	107.3
378	K	36.5	Very low	35.8	Very low	180 Å²	180	165 Å²	165	78%	0.783	81%	0.811	S	S	*	*			trans	-64.3	139.6	179.4	-156	164.7	-168.6	160.5	0	109.9	K380	K378-K380 PolarHBondContact O-N 2.73Å
379	K	30.1	Very low	35.7	Very low	190 Å²	190	164.2 Å²	164.2	83%	0.826	81%	0.807	S	S	*	*			trans	-48.2	130.8	170.5	-77.2	-173.3	175.8	-174.2	0	110.1
380	K	36.3	Very low	35.8	Very low	199 Å²	199	162.1 Å²	162.1	87%	0.865	80%	0.796	S	S	*	*			trans	-129.2	125.7	150.2	-76.8	-168	173.3	-173.1	0	107.5	K378	K378-K380 PolarHBondContact O-N 2.73Å
381	D	32.4	Very low	35.9	Very low	130 Å²	130	161.1 Å²	161.1	70%	0.695	79%	0.791	S	S	*	*			trans	-73.7	-161.7	164.2	-53	-90.4	0	0	0	108.9
382	D	36.8	Very low	36.1	Very low	173 Å²	173	156.5 Å²	156.5	93%	0.925	78%	0.775	S	S	*	*			trans	73.7	141.4	-172.9	-48.8	-38.2	0	0	0	115.1
383	G	31.9	Very low	36.1	Very low	69 Å²	69	154.9 Å²	154.9	71%	0.711	77%	0.768	S	S	*	*			cis	157.3	64.8	-2.3	0	0	0	0	0	115.4
384	D	34.7	Very low	36.2	Very low	128 Å²	128	154.1 Å²	154.1	68%	0.684	77%	0.765	S	S	*	*			trans	77.9	156.5	157	-151.8	0.6	0	0	0	119.5
385	K	34.7	Very low	36.2	Very low	150 Å²	150	145.7 Å²	145.7	65%	0.652	75%	0.753	S	S	*	*			trans	58.6	102	163.1	-84.9	135.9	-163.6	147.9	0	123.9
386	Q	36.8	Very low	36.4	Very low	143 Å²	143	144.6 Å²	144.6	67%	0.668	75%	0.747	S	S	*	*				55.8	128.1	113.6	-69.5	-173.2	-87.1	0	0	121.3	D388	Q386-D388 PolarHBondContact NE2-OD2 2.96Å
387	N	36.4	Very low	36.8	Very low	168 Å²	168	145 Å²	145	90%	0.898	75%	0.75	S	S	*	*				-150.1	144.3	109	-113	-33.1	0	0	0	111.4
388	D	38.9	Very low	37	Very low	114 Å²	114	146.5 Å²	146.5	61%	0.61	74%	0.744	S	S	*	*			trans	-96.6	162.4	-177.5	-66.5	-84.9	0	0	0	112.1	Q386	Q386-D388 PolarHBondContact NE2-OD2 2.96Å
389	N	40.2	Very low	37	Very low	151 Å²	151	147 Å²	147	81%	0.807	75%	0.746	S	S	*	*			trans	-174	126.9	134.4	-91.3	-34.7	0	0	0	111.5
390	D	39.9	Very low	37.3	Very low	133 Å²	133	145 Å²	145	71%	0.711	74%	0.737	S	S	*	*			trans	29.2	149	136.8	-69.4	-14.3	0	0	0	122.1
391	D	42.6	Very low	37.6	Very low	110 Å²	110	140.5 Å²	140.5	59%	0.588	72%	0.723	S	S	*	*			cis	-153.5	162.3	24	-143.8	-6.2	0	0	0	118
392	K	40.5	Very low	37.8	Very low	143 Å²	143	140.6 Å²	140.6	62%	0.622	72%	0.723	S	S	*	*			trans	11.7	157.5	148.4	-75.7	161.6	-151.7	85.6	0	120.8
393	K	40.1	Very low	37.6	Very low	173 Å²	173	139.1 Å²	139.1	75%	0.752	72%	0.716	S	S	*	*			cis	-165.6	156.1	21.6	-136.6	164.3	-178.2	178.3	0	113.9
394	K	37	Very low	37.9	Very low	178 Å²	178	141 Å²	141	77%	0.774	71%	0.709	S	S	*	*			trans	11.3	156.6	146.1	-62.8	-171.4	175.5	-147.9	0	122.2
395	G	34.8	Very low	38	Very low	64 Å²	64	141.3 Å²	141.3	66%	0.66	71%	0.705	S	S	*	*			cis	154.2	175.8	-1.3	0	0	0	0	0	113.8
396	D	37.9	Very low	37.9	Very low	143 Å²	143	141.9 Å²	141.9	77%	0.765	71%	0.707	S	S	*	*			trans	39.6	130.1	157.3	-49.6	-49.8	0	0	0	122.4
397	D	40.3	Very low	37.7	Very low	156 Å²	156	144.9 Å²	144.9	83%	0.834	71%	0.712	S	S	*	*				-158.5	167.5	110.6	-140.5	-25.3	0	0	0	113.5
398	K	37.5	Very low	37.8	Very low	181 Å²	181	143.7 Å²	143.7	79%	0.787	71%	0.706	S	S	*	*			trans	-92.5	163	-170	-61.1	159.4	178.4	166	0	113.3
399	K	38.2	Very low	37.6	Very low	190 Å²	190	144.4 Å²	144.4	83%	0.826	71%	0.709	S	S	*	*				-167.8	115.2	118.4	-108.9	176.3	-177.8	177.6	0	116.2
400	K	36.5	Very low	37.4	Very low	148 Å²	148	144.7 Å²	144.7	64%	0.643	71%	0.711	S	S	*	*				74.8	135.1	119	-87.7	-168.1	142	-72.4	0	122.8
401	D	41.1	Very low	37.4	Very low	105 Å²	105	144 Å²	144	56%	0.561	71%	0.707	S	S	*	*			trans	70.3	147.4	138.9	-52.1	-3.3	0	0	0	119.3
402	D	36.4	Very low	37	Very low	133 Å²	133	148.2 Å²	148.2	71%	0.711	72%	0.721	S	S	*	*			cis	175.6	153.6	-36.2	-101.9	-35.2	0	0	0	105.4
403	D	34.3	Very low	36.8	Very low	142 Å²	142	148.3 Å²	148.3	76%	0.759	72%	0.721	S	S	*	*			trans	62.4	161.6	171.4	-71.4	-35	0	0	0	116.3
404	D	37.8	Very low	36.5	Very low	108 Å²	108	147.3 Å²	147.3	58%	0.578	72%	0.717	S	S	*	*			cis	-148.2	153.4	6.5	-142.7	-5	0	0	0	118.5
405	K	36	Very low	36.6	Very low	135 Å²	135	146.4 Å²	146.4	59%	0.587	72%	0.72	S	S	*	*			trans	28.2	122.5	146.5	-78.7	160.7	-152.8	81.8	0	122.9
406	K	33.2	Very low	36.7	Very low	162 Å²	162	148.7 Å²	148.7	70%	0.704	72%	0.717	S	S	*	*				85.4	122.5	122.1	-70.7	173.6	-178.9	176.9	0	122.9
407	R	32	Very low	36.9	Very low	206 Å²	206	150 Å²	150	78%	0.777	72%	0.724	S	S	*	*				42.2	118.1	120.8	-53.2	-179.6	-174.3	176.8	-2.3	119.7
408	N	38.9	Very low	36.7	Very low	143 Å²	143	149.6 Å²	149.6	77%	0.765	72%	0.722	S	S	*	*				-159.2	142.4	89.4	-79.6	-10.5	0	0	0	105.9
409	D	34.4	Very low	36.7	Very low	128 Å²	128	149 Å²	149	68%	0.684	73%	0.727	S	S	*	*				71.4	130.4	55.6	-64.2	-48.6	0	0	0	113.4
410	D	35.8	Very low	36.7	Very low	158 Å²	158	149.1 Å²	149.1	85%	0.845	73%	0.728	S	S	*	*			trans	65.7	151.8	177.1	-55.6	-39.6	0	0	0	118.2
411	D	40.1	Very low	36.6	Very low	117 Å²	117	150.7 Å²	150.7	63%	0.626	74%	0.735	S	S	*	*			cis	-135.9	156.3	-3.5	-160.9	-18.5	0	0	0	109.8	K413	D411-K413 IonicContact OD1-NZ 2.89Å; D411-K413 PolarHBondContact OD1-NZ 3.25Å; D411-K413 IonicContact OD2-NZ 2.75Å; D411-K413 PolarHBondContact OD2-NZ 3.26Å
412	K	35.1	Very low	36.4	Very low	200 Å²	200	152.9 Å²	152.9	87%	0.87	75%	0.746	S	S	*	*			trans	-131.4	99.7	-179.3	-179.4	-176	179.1	179.2	0	110
413	K	34.8	Very low	36.5	Very low	144 Å²	144	155 Å²	155	63%	0.626	76%	0.758	S	S	*	*			trans	-146.1	131.5	175.3	-74.8	-174.9	-170.2	66.6	0	113.4	D411	D411-K413 IonicContact OD1-NZ 2.89Å; D411-K413 PolarHBondContact OD1-NZ 3.25Å; D411-K413 IonicContact OD2-NZ 2.75Å; D411-K413 PolarHBondContact OD2-NZ 3.26Å
414	K	34.6	Very low	36.6	Very low	153 Å²	153	155.2 Å²	155.2	67%	0.665	76%	0.759	S	S	*	*			trans	68.5	149	150.7	-67.1	173.3	175.9	-70.6	0	113.8	D416	K414-D416 IonicContact NZ-OD2 2.77Å; K414-D416 PolarHBondContact NZ-OD2 3.3Å
415	D	39.3	Very low	36.6	Very low	158 Å²	158	154.9 Å²	154.9	85%	0.845	76%	0.757	S	S	*	*			cis	-95.9	147.1	26	-59.1	-58.7	0	0	0	116.9
416	D	36.6	Very low	36.6	Very low	113 Å²	113	155.8 Å²	155.8	60%	0.604	76%	0.761	S	S	*	*			trans	-102.3	132.7	161.6	-44.8	-77.1	0	0	0	106.3	K414	K414-D416 IonicContact NZ-OD2 2.77Å; K414-D416 PolarHBondContact NZ-OD2 3.3Å
417	D	41.4	Very low	36.8	Very low	170 Å²	170	156.6 Å²	156.6	91%	0.909	77%	0.765	S	S	*	*			trans	-129.9	118.6	168.8	-113.3	-37.6	0	0	0	109
418	D	37.9	Very low	36.8	Very low	148 Å²	148	154.5 Å²	154.5	79%	0.791	76%	0.761	S	S	*	*			trans	-82	138.8	-165.9	-89.3	-55.5	0	0	0	113.6	K420	D418-K420 VanDerWaalsContact C-N 3.31Å; D418-K420 PolarHBondContact O-N 2.87Å
419	D	35.8	Very low	36.6	Very low	167 Å²	167	153.1 Å²	153.1	89%	0.893	75%	0.754	S	S	*	*			trans	-65.4	86	165.4	-120.7	-33.7	0	0	0	110.3	K421	D419-K421 PolarHBondContact O-N 2.8Å
420	K	39.3	Very low	36.6	Very low	194 Å²	194	155.5 Å²	155.5	84%	0.843	76%	0.758	S	S	*	*			trans	-77.5	91.9	177.4	-123.4	174.9	-171.8	166.6	0	111.2	D418 D422	D418-K420 VanDerWaalsContact C-N 3.31Å; D418-K420 PolarHBondContact O-N 2.87Å; K420-D422 PolarHBondContact O-N 3.28Å
421	K	33.2	Very low	36.6	Very low	180 Å²	180	154.1 Å²	154.1	78%	0.783	75%	0.751	S	S	*	*			trans	-47.5	132.4	146.9	-62	167.6	-174.4	164	0	108.7	D419	D419-K421 PolarHBondContact O-N 2.8Å
422	D	36.9	Very low	36.3	Very low	151 Å²	151	154.5 Å²	154.5	81%	0.807	75%	0.753	S	S	*	*				-179.8	112.9	123.6	-85.3	-20.4	0	0	0	107.3	K420	K420-D422 PolarHBondContact O-N 3.28Å
423	D	38.8	Very low	36.3	Very low	178 Å²	178	152.6 Å²	152.6	95%	0.952	74%	0.744	S	S	*	*			trans	-158.9	132.6	137.9	-114.5	-28.2	0	0	0	108.9
424	D	37.7	Very low	36.3	Very low	146 Å²	146	153.6 Å²	153.6	78%	0.781	75%	0.749	S	S	*	*			trans	-105.9	171.6	-160.5	-146.9	-16.4	0	0	0	112.1
425	D	38.1	Very low	36.4	Very low	101 Å²	101	153.6 Å²	153.6	54%	0.54	75%	0.749	S	S	.	*			trans	66.2	98.5	153.4	-97	13.6	0	0	0	121.7
426	K	35.8	Very low	36.2	Very low	155 Å²	155	150.9 Å²	150.9	67%	0.674	73%	0.734	S	S	*	*				81.9	137.2	115.8	-76.2	178.4	-177	82.1	0	120.4
427	K	35.5	Very low	36.3	Very low	178 Å²	178	152.6 Å²	152.6	77%	0.774	74%	0.744	S	S	*	*			trans	80.1	99.7	145	-77.9	174.4	177.8	175.9	0	119.1
428	K	34	Very low	36.2	Very low	163 Å²	163	149.6 Å²	149.6	71%	0.709	73%	0.728	S	S	*	*				64.9	125.4	107.8	-78.8	-174.1	151.2	-73.7	0	118.6
429	D	32.7	Very low	36.4	Very low	114 Å²	114	149 Å²	149	61%	0.61	72%	0.718	S	S	*	*				45.8	91.9	127.8	-30.9	-25.2	0	0	0	115.9
430	K	36.4	Very low	36.6	Very low	177 Å²	177	145.4 Å²	145.4	77%	0.77	69%	0.694	S	S	*	*				175.7	153.3	103.4	-96.1	170.3	177.9	-173.3	0	116.7
431	D	34.5	Very low	36.4	Very low	129 Å²	129	142.5 Å²	142.5	69%	0.69	68%	0.682	S	S	*	*			trans	44.8	96.7	135.1	-46.6	-18.6	0	0	0	118.7
432	D	33.7	Very low	36.4	Very low	125 Å²	125	140.1 Å²	140.1	67%	0.668	68%	0.677	S	S	*	*				67.1	139.9	106.3	-166.1	36.2	0	0	0	119.5
433	K	36	Very low	36.5	Very low	160 Å²	160	139.4 Å²	139.4	70%	0.696	67%	0.673	S	S	*	*			trans	70	146.1	-179.1	-64.7	170.9	-173.5	70.2	0	114.2
434	K	34.9	Very low	36.4	Very low	165 Å²	165	135.2 Å²	135.2	72%	0.717	65%	0.651	S	S	*	*			cis	-167.3	149.2	11	-125.9	173.3	174.5	-178.2	0	108.3
435	K	35.9	Very low	36.4	Very low	153 Å²	153	137.8 Å²	137.8	67%	0.665	65%	0.651	S	S	*	*			trans	65.4	154.9	145.4	-68.8	-172.4	145	-67.6	0	118.3
436	D	35.2	Very low	36.1	Very low	102 Å²	102	139.8 Å²	139.8	55%	0.545	66%	0.655	S	S	.	*			cis	-147.9	166.1	-15.3	-93.5	-33.1	0	0	0	107
437	D	38.7	Very low	36.1	Very low	149 Å²	149	140.1 Å²	140.1	80%	0.797	66%	0.657	S	S	*	*			trans	67	154.2	169.7	-48.2	-41.3	0	0	0	116.2
438	D	39.8	Very low	36.2	Very low	107 Å²	107	137.2 Å²	137.2	57%	0.572	65%	0.65	S	S	*	*			cis	-155	167.1	10.7	-151.7	0.1	0	0	0	115.4
439	K	40.6	Very low	36.2	Very low	136 Å²	136	137 Å²	137	59%	0.591	66%	0.656	S	S	*	*			trans	20.3	128.2	145	-81.2	169	-148.9	76.6	0	118.2	K652	K439-K652 VanDerWaalsContact O-CE 3.31Å; K439-K652 WeakPolarHBondContact O-CE 3.33Å; K439-K652 PolarHBondContact O-NZ 2.65Å
440	K	40.9	Very low	36.5	Very low	90 Å²	90	137.2 Å²	137.2	39%	0.391	66%	0.657	S	S	.	*			cis	-169.5	130.4	16.8	-31	165	-169.8	163.4	0	106.5	K652 K653 D654	K440-K652 HydrophobicContact CB-CG 4.38Å; K440-K652 HydrophobicContact CD-CG 3.79Å; K440-K652 HydrophobicContact CG-CG 4.27Å; K440-K652 WeakPolarHBondContact O-CE 3.32Å; K440-K653 PolarHBondContact NZ-O 2.74Å; K440-D654 IonicContact NZ-OD2 2.68Å; K440-D654 PolarHBondContact NZ-OD2 2.7Å
441	K	35.6	Very low	36.5	Very low	134 Å²	134	136 Å²	136	58%	0.583	65%	0.652	S	S	*	*			trans	163.9	132.5	147.9	-99	-162.9	175.2	-155	0	115.1	E650 K651	K441-E650 WeakPolarHBondContact CE-O 3.37Å; K441-E650 PolarHBondContact NZ-O 3.2Å; K441-K651 WeakPolarHBondContact CE-O 3.38Å
442	D	33.7	Very low	36.5	Very low	130 Å²	130	137 Å²	137	70%	0.695	65%	0.65	S	S	*	*			trans	-125	173.2	177.1	-63.1	-80.8	0	0	0	111.9
443	N	38.3	Very low	36.6	Very low	135 Å²	135	136.4 Å²	136.4	72%	0.722	65%	0.647	S	S	*	*			trans	72.6	144.7	165.8	-55.8	-35.2	0	0	0	118.1
444	N	36.7	Very low	36.8	Very low	90 Å²	90	134.6 Å²	134.6	48%	0.481	65%	0.645	S	S	.	*			cis	-148.6	172.8	-6	-128.7	-5.7	0	0	0	116.2	D647	N444-D647 WeakPolarHBondContact CA-OD2 2.86Å; N444-D647 WeakPolarHBondContact CB-OD2 3.34Å; N444-D647 PolarHBondContact N-OD2 2.61Å
445	Y	36.4	Very low	36.9	Very low	200 Å²	200	133.5 Å²	133.5	78%	0.784	64%	0.64	S	S	*	*			trans	6.4	109.7	163.6	-90.4	-107	0	0	0	121
446	K	33.2	Very low	37	Very low	143 Å²	143	131.4 Å²	131.4	62%	0.622	64%	0.636	S	S	*	*				-158.5	96.6	115.2	-155.6	144.8	-170.6	167	0	111.5	D643 D644	K446-D643 IonicContact NZ-OD1 2.67Å; K446-D644 PolarHBondContact NZ-O 2.92Å
447	K	36.3	Very low	37	Very low	162 Å²	162	133.6 Å²	133.6	70%	0.704	64%	0.641	S	S	*	*			trans	-162.3	159.9	171	-143	179	162.7	-75.3	0	113.5
448	D	37.3	Very low	36.8	Very low	118 Å²	118	133.9 Å²	133.9	63%	0.631	64%	0.635	S	S	*	*			trans	71.4	84.4	158.9	-62.1	-36.2	0	0	0	119.1
449	D	34.1	Very low	36.6	Very low	157 Å²	157	133.7 Å²	133.7	84%	0.84	63%	0.634	S	S	*	*				-36.6	136.9	123	-74.4	-85.5	0	0	0	111.7
450	D	38.6	Very low	36.5	Very low	119 Å²	119	133.1 Å²	133.1	64%	0.636	64%	0.638	S	S	*	*			trans	-162.2	144.6	132.8	-133.1	-29.7	0	0	0	113.7
451	K	36.5	Very low	36.2	Very low	153 Å²	153	135 Å²	135	67%	0.665	65%	0.652	S	S	*	*			trans	57.6	141.1	153	-76.9	150.2	-174.5	75.3	0	120.7
452	K	33.6	Very low	36.4	Very low	150 Å²	150	133 Å²	133	65%	0.652	65%	0.648	S	S	*	*			cis	-179.6	163.8	-21.8	-132.2	169.9	148	-73.3	0	108.9
453	D	35.5	Very low	36.4	Very low	112 Å²	112	135.1 Å²	135.1	60%	0.599	65%	0.646	S	S	*	*			trans	69.6	140.2	148.7	-62.4	-30.2	0	0	0	120.2
454	D	40.6	Very low	36.5	Very low	121 Å²	121	138.5 Å²	138.5	65%	0.647	65%	0.648	S	S	*	*			trans	68.8	134.9	154.6	-74.2	20.1	0	0	0	120.4
455	K	38.2	Very low	36.4	Very low	142 Å²	142	143.4 Å²	143.4	62%	0.617	67%	0.665	S	S	*	*			cis	-169.2	155.5	-22	-131.9	-172	-151.1	75.9	0	107.3
456	D	38.1	Very low	36.6	Very low	110 Å²	110	140.9 Å²	140.9	59%	0.588	67%	0.671	S	S	*	*			trans	62.6	158.5	151.2	-72.7	3.2	0	0	0	117.7
457	K	35.4	Very low	36.5	Very low	147 Å²	147	136.9 Å²	136.9	64%	0.639	67%	0.67	S	S	*	*			cis	-157.7	133	-31.1	-117.7	178.2	-170.9	75.8	0	107.2
458	K	33.9	Very low	36.7	Very low	156 Å²	156	135.3 Å²	135.3	68%	0.678	67%	0.669	S	S	*	*				65.3	176	127.8	-146	179.9	153.7	-75.4	0	116.1
459	D	34.9	Very low	36.7	Very low	103 Å²	103	136.7 Å²	136.7	55%	0.551	67%	0.67	S	S	*	*			trans	63.6	134.1	157.1	-59.3	-30.1	0	0	0	118.1
460	D	38.9	Very low	36.7	Very low	124 Å²	124	137.6 Å²	137.6	66%	0.663	67%	0.666	S	S	*	*			cis	-169.6	172.9	-14.1	-132.3	-20.4	0	0	0	107.9
461	N	35	Very low	36.4	Very low	129 Å²	129	141.5 Å²	141.5	69%	0.69	68%	0.678	S	S	*	*			trans	64.8	160.1	151.4	-81.8	-43.6	0	0	0	119.3
462	D	40.2	Very low	36.6	Very low	93 Å²	93	138.6 Å²	138.6	50%	0.497	68%	0.682	S	S	.	*			cis	-154.6	129	-27.4	-148	11.3	0	0	0	110.6
463	R	33	Very low	36.8	Very low	173 Å²	173	138.6 Å²	138.6	65%	0.653	69%	0.689	S	S	*	*				40.7	107.1	124	175.2	-153.5	-171.3	173.6	7.6	119.6
464	R	41	Very low	36.7	Very low	206 Å²	206	139 Å²	139	78%	0.777	70%	0.695	S	S	*	*				-178.8	133.1	119.5	-95.6	143.3	-117.7	-148.6	0.7	110.4
465	K	34	Very low	36.9	Very low	193 Å²	193	139.5 Å²	139.5	84%	0.839	70%	0.698	S	S	*	*			cis	89.3	65.5	25.5	-161.5	-160.8	-179.7	-179	0	115.9
466	V	40.6	Very low	36.7	Very low	147 Å²	147	140.6 Å²	140.6	89%	0.891	70%	0.703	S	S	*	*			trans	-151.4	138.3	141.7	-172	0	0	0	0	107.3
467	G	31.6	Very low	36.8	Very low	60 Å²	60	144 Å²	144	62%	0.619	71%	0.713	S	S	*	*			cis	126.3	59.6	-18.7	0	0	0	0	0	117.1
468	D	40.5	Very low	37.1	Very low	128 Å²	128	145.6 Å²	145.6	68%	0.684	72%	0.719	S	S	*	*			trans	177.2	165.4	158.4	-103.2	10.4	0	0	0	111.3
469	K	37.4	Very low	37.5	Very low	147 Å²	147	144.5 Å²	144.5	64%	0.639	72%	0.72	S	S	*	*			cis	-169.3	132.1	-31	-124.5	-175.7	-154.5	86.8	0	108.2
470	K	32.5	Very low	37.5	Very low	176 Å²	176	146.6 Å²	146.6	77%	0.765	73%	0.731	S	S	*	*			trans	52.4	139.1	140.4	-69.2	-179.2	178.8	-175.8	0	122.7
471	K	34.1	Very low	37.3	Very low	202 Å²	202	148.4 Å²	148.4	88%	0.878	74%	0.735	S	S	*	*			trans	79.4	151.9	155.3	-67.7	170.3	175.8	-170.5	0	116.6
472	A	40	Very low	37.5	Very low	92 Å²	92	150.7 Å²	150.7	76%	0.76	74%	0.739	S	S	*	*			cis	-133.6	140.1	8.9	0	0	0	0	0	114.4
473	D	37.3	Very low	37.3	Very low	149 Å²	149	152.4 Å²	152.4	80%	0.797	75%	0.748	S	S	*	*			trans	-73.8	178.8	156.3	-61	-94.9	0	0	0	112.1
474	V	34.7	Very low	37.3	Very low	120 Å²	120	152.4 Å²	152.4	73%	0.727	75%	0.753	S	S	*	*			trans	82.2	92.8	160	-170.8	0	0	0	0	117.2
475	D	43.4	Very low	37	Very low	132 Å²	132	149.6 Å²	149.6	71%	0.706	75%	0.753	S	S	*	*				-170.5	140.3	98.4	-101.4	-22.5	0	0	0	109.6
476	K	35.1	Very low	37.4	Very low	165 Å²	165	148.2 Å²	148.2	72%	0.717	76%	0.755	S	S	*	*			cis	133.9	102.5	-1.4	167.9	-169.6	-175.5	177.1	0	109.2
477	K	39.4	Very low	37.1	Very low	182 Å²	182	148.7 Å²	148.7	79%	0.791	75%	0.753	S	S	*	*			trans	177.7	115.7	138.3	-98.7	151	-172.7	167.7	0	113.5
478	K	42.4	Very low	37.3	Very low	180 Å²	180	151.2 Å²	151.2	78%	0.783	75%	0.752	S	S	*	*			trans	66.9	152.5	138.5	-60.9	-177.5	164.7	-163.8	0	118.6
479	I	41.4	Very low	37.1	Very low	134 Å²	134	154.9 Å²	154.9	69%	0.687	76%	0.756	S	S	*	*			cis	-159	113.2	-18.3	-105.4	164.8	0	0	0	101.1
480	D	35.5	Very low	37.2	Very low	147 Å²	147	158.1 Å²	158.1	79%	0.786	77%	0.77	S	S	*	*				54.4	137.9	76.2	-98.8	-41.1	0	0	0	117.3
481	E	33.9	Very low	37.3	Very low	161 Å²	161	158.9 Å²	158.9	75%	0.752	77%	0.774	S	S	*	*			trans	48.5	98.4	162.4	-58.6	-171	149.7	0	0	120.7
482	K	40.7	Very low	37.2	Very low	177 Å²	177	152.4 Å²	152.4	77%	0.77	76%	0.764	S	S	*	*				-174.7	129.2	109.4	-99	148.2	-169.1	161.7	0	111.5
483	N	34.8	Very low	37	Very low	129 Å²	129	154.8 Å²	154.8	69%	0.69	77%	0.769	S	S	*	*				56.7	113.7	101.1	-67.8	-6.3	0	0	0	112
484	K	32.5	Very low	37	Very low	174 Å²	174	153 Å²	153	76%	0.757	76%	0.76	S	S	*	*				68.3	141.6	76.3	-78.1	-173.8	174.6	-179.7	0	111.8
485	D	36.1	Very low	37	Very low	146 Å²	146	154.5 Å²	154.5	78%	0.781	76%	0.756	S	S	*	*			trans	69.9	145.6	-179.7	-36.1	-43.3	0	0	0	110.9
486	D	42.2	Very low	36.5	Very low	165 Å²	165	156.4 Å²	156.4	88%	0.882	76%	0.758	S	S	*	*			cis	-120.7	157.4	10.2	-72.4	-64.4	0	0	0	113.7
487	D	34.4	Very low	36.5	Very low	156 Å²	156	154.5 Å²	154.5	83%	0.834	75%	0.75	S	S	*	*			trans	-118.9	158.3	160.9	-165.1	-8.2	0	0	0	108.4
488	D	36.2	Very low	36.1	Very low	113 Å²	113	151.9 Å²	151.9	60%	0.604	75%	0.745	S	S	*	*			trans	68.6	155.8	174.5	-160.5	16.5	0	0	0	118.5
489	R	34.8	Very low	35.8	Very low	206 Å²	206	149.1 Å²	149.1	78%	0.777	74%	0.739	S	S	*	*			trans	69.6	109.3	162.4	-49.9	-169.9	177.3	-179.8	-4.9	121.2
490	K	39.9	Very low	35.5	Very low	214 Å²	214	148.8 Å²	148.8	93%	0.93	74%	0.738	S	S	*	*				-139.1	94.1	106	-156	167	-172.1	174.5	0	113.1
491	K	34.8	Very low	35.5	Very low	193 Å²	193	148 Å²	148	84%	0.839	73%	0.734	S	S	*	*			trans	-86	139.8	172.4	-79.6	-177.6	175.7	174.5	0	112
492	G	31.3	Very low	35.5	Very low	66 Å²	66	147 Å²	147	68%	0.68	73%	0.727	S	S	*	*			trans	111.2	159.7	137.1	0	0	0	0	0	118.4
493	V	36.4	Very low	35.3	Very low	142 Å²	142	146.8 Å²	146.8	86%	0.861	73%	0.726	S	S	*	*			trans	73.9	115	166.6	-169.4	0	0	0	0	114.4
494	D	37.9	Very low	35.3	Very low	112 Å²	112	147.9 Å²	147.9	60%	0.599	73%	0.725	S	S	*	*			cis	-159.3	172.4	-5.4	-140.7	-6.4	0	0	0	113.7
495	K	33.7	Very low	35.3	Very low	150 Å²	150	145.8 Å²	145.8	65%	0.652	72%	0.722	S	S	*	*			trans	9.9	146.6	144.1	-71.1	169.7	-158.6	76.1	0	118.9
496	K	33.8	Very low	35.1	Very low	172 Å²	172	142.8 Å²	142.8	75%	0.748	72%	0.717	S	S	*	*			cis	-175.6	163.3	24	-134.1	174.4	-179	-178.5	0	113.3
497	K	34.2	Very low	34.8	Very low	125 Å²	125	142.3 Å²	142.3	54%	0.543	72%	0.715	S	S	.	*			trans	69.7	138.8	158.9	-53.3	-163.2	113.7	-60.8	0	117.9	D499	K497-D499 IonicContact NZ-OD1 2.73Å; K497-D499 IonicContact NZ-OD2 2.7Å; K497-D499 PolarHBondContact NZ-OD2 2.77Å
498	D	31.9	Very low	34.6	Very low	128 Å²	128	141.2 Å²	141.2	68%	0.684	71%	0.705	S	S	*	*			cis	63.9	144.8	46.9	-16.4	-49	0	0	0	112
499	D	35.9	Very low	34.7	Very low	122 Å²	122	142.5 Å²	142.5	65%	0.652	71%	0.705	S	S	*	*			cis	-148.2	-175.4	21.6	-73.8	-77.5	0	0	0	111	K497	K497-D499 IonicContact NZ-OD1 2.73Å; K497-D499 IonicContact NZ-OD2 2.7Å; K497-D499 PolarHBondContact NZ-OD2 2.77Å
500	D	34.9	Very low	34.8	Very low	127 Å²	127	140.9 Å²	140.9	68%	0.679	70%	0.703	S	S	*	*			trans	55.9	110.1	163.8	-78.9	-65.6	0	0	0	118.9	K502	D500-K502 IonicContact OD1-NZ 2.85Å; D500-K502 PolarHBondContact OD1-NZ 3.49Å
501	D	35.1	Very low	34.6	Very low	129 Å²	129	136.7 Å²	136.7	69%	0.69	69%	0.691	S	S	*	*			cis	68.9	143	39.2	-171.6	41	0	0	0	115.5
502	K	34.5	Very low	34.5	Very low	141 Å²	141	134.9 Å²	134.9	61%	0.613	69%	0.691	S	S	*	*			trans	76.6	151.7	-171.2	-49.5	151.8	-160.5	65.4	0	112.4	D500	D500-K502 IonicContact OD1-NZ 2.85Å; D500-K502 PolarHBondContact OD1-NZ 3.49Å
503	K	35.8	Very low	34.7	Very low	173 Å²	173	135.6 Å²	135.6	75%	0.752	70%	0.698	S	S	*	*			cis	-156.4	122.9	24.7	-161.6	164	-177.3	179.1	0	114.9
504	K	36	Very low	34.6	Very low	152 Å²	152	135.2 Å²	135.2	66%	0.661	69%	0.691	S	S	*	*			trans	72	133.4	149.9	-70.8	-168.6	160.9	-74.9	0	117.4
505	D	32.2	Very low	34.6	Very low	129 Å²	129	139.6 Å²	139.6	69%	0.69	71%	0.705	S	S	*	*				62.2	138.4	71.7	-40.8	-11.6	0	0	0	112.4
506	A	30.7	Very low	34.7	Very low	83 Å²	83	140.5 Å²	140.5	69%	0.686	71%	0.708	S	S	*	*			cis	-173.3	142.8	-21.9	0	0	0	0	0	106.1
507	D	36.1	Very low	34.6	Very low	155 Å²	155	140.5 Å²	140.5	83%	0.829	71%	0.709	S	S	*	*			trans	-162.5	108.5	144	-110.9	-31.5	0	0	0	111.8
508	E	31.4	Very low	34.8	Very low	134 Å²	134	140.9 Å²	140.9	63%	0.626	72%	0.716	S	S	*	*				-7.1	151.9	119.7	-56.7	-161.2	137.1	0	0	116.2
509	K	36.9	Very low	34.9	Very low	140 Å²	140	140.6 Å²	140.6	61%	0.609	72%	0.719	S	S	*	*			cis	-172.9	170.3	16.3	-132	163.8	-162	149.5	0	110
510	K	36.9	Very low	34.8	Very low	171 Å²	171	141.7 Å²	141.7	74%	0.743	73%	0.725	S	S	*	*			trans	74.8	148.1	150.6	-67.6	168.9	169.2	-172.7	0	119.8
511	D	35.9	Very low	34.7	Very low	127 Å²	127	142.1 Å²	142.1	68%	0.679	73%	0.727	S	S	*	*			cis	-163.2	161.4	-28.8	-106.9	-1.3	0	0	0	108.5
512	D	34	Very low	34.7	Very low	155 Å²	155	144.6 Å²	144.6	83%	0.829	73%	0.732	S	S	*	*			trans	4.3	137.8	158.5	-57.1	-44.9	0	0	0	121.9
513	G	34.1	Very low	34.7	Very low	80 Å²	80	145.7 Å²	145.7	83%	0.825	74%	0.737	S	S	*	*			trans	-156.1	30.8	175.7	0	0	0	0	0	115.7	K515	G513-K515 PolarHBondContact O-N 2.98Å
514	D	35.9	Very low	34.7	Very low	134 Å²	134	146 Å²	146	72%	0.717	74%	0.738	S	S	*	*			trans	-41.7	126.7	-177	174	34.2	0	0	0	115.9
515	K	37.2	Very low	34.9	Very low	204 Å²	204	146.2 Å²	146.2	89%	0.887	74%	0.741	S	S	*	*			trans	-156.8	159.1	134	-113	148.7	-166.8	165.1	0	115.2	G513	G513-K515 PolarHBondContact O-N 2.98Å
516	K	35.2	Very low	35.2	Very low	169 Å²	169	146.5 Å²	146.5	74%	0.735	74%	0.743	S	S	*	*			trans	-151.3	143.5	-155.8	-174.4	-179.7	-174.2	170.2	0	109.1
517	K	32.7	Very low	35.5	Very low	173 Å²	173	149.8 Å²	149.8	75%	0.752	75%	0.749	S	S	*	*			trans	65.8	167	-175.5	-31.3	178.7	-173.9	177.4	0	113.6
518	D	37.8	Very low	35.6	Very low	132 Å²	132	149.4 Å²	149.4	71%	0.706	75%	0.747	S	S	*	*			cis	-126.8	142.8	0.7	-77.5	-74.4	0	0	0	107.4
519	V	34.1	Very low	36.1	Very low	122 Å²	122	151.5 Å²	151.5	74%	0.739	75%	0.754	S	S	*	*				59.5	115.6	80.9	-174.2	0	0	0	0	114.7
520	D	33	Very low	36.3	Very low	146 Å²	146	152.2 Å²	152.2	78%	0.781	76%	0.757	S	S	*	*			trans	81.8	158.1	158	-98.1	-55.8	0	0	0	124.8
521	N	34.3	Very low	36.6	Very low	136 Å²	136	149.7 Å²	149.7	73%	0.727	75%	0.752	S	S	*	*			trans	68.7	80.7	164.3	-77.5	-43.4	0	0	0	121.9	K523	N521-K523 PolarHBondContact O-N 3.21Å
522	K	34.4	Very low	36.8	Very low	181 Å²	181	150.1 Å²	150.1	79%	0.787	75%	0.754	S	S	*	*				22.9	96.3	107.7	-166.3	170.4	-170.3	165.6	0	116.3	D164	D164-K522 IonicContact OD2-NZ 2.61Å
523	K	33.6	Very low	37	Very low	163 Å²	163	148.2 Å²	148.2	71%	0.709	74%	0.744	S	S	*	*			trans	-134	120.8	158.3	-165.4	-179.3	-173.5	-166.8	0	111.9	N521 E525	N521-K523 PolarHBondContact O-N 3.21Å; K523-E525 HydrophobicContact CD-CG 4.22Å; K523-E525 WeakPolarHBondContact CE-OE1 3.35Å; K523-E525 HydrophobicContact CG-CG 4.43Å; K523-E525 IonicContact NZ-OE1 2.78Å; K523-E525 PolarHBondContact NZ-OE1 3.48Å
524	K	36.8	Very low	37.4	Very low	181 Å²	181	154 Å²	154	79%	0.787	75%	0.746	S	S	*	*			trans	-83.3	143.1	157	-69.2	-177.6	177.6	-178.2	0	108.2
525	E	40.1	Very low	37.6	Very low	156 Å²	156	156 Å²	156	73%	0.729	75%	0.749	S	S	*	*			trans	-116.5	120.2	153.5	-65.6	-167.5	153	0	0	107.3	K523	K523-E525 HydrophobicContact CD-CG 4.22Å; K523-E525 WeakPolarHBondContact CE-OE1 3.35Å; K523-E525 HydrophobicContact CG-CG 4.43Å; K523-E525 IonicContact NZ-OE1 2.78Å; K523-E525 PolarHBondContact NZ-OE1 3.48Å
526	N	37.1	Very low	37.7	Very low	135 Å²	135	155.8 Å²	155.8	72%	0.722	75%	0.747	S	S	*	*			trans	-96.2	168.6	171.3	-94.1	43	0	0	0	108.8
527	D	38.7	Very low	37.8	Very low	151 Å²	151	153.8 Å²	153.8	81%	0.807	75%	0.745	S	S	*	*			trans	-50.9	151.1	173.3	-48.9	-96.5	0	0	0	113.8
528	D	38.3	Very low	38.2	Very low	147 Å²	147	153.2 Å²	153.2	79%	0.786	75%	0.75	S	S	*	*				-165	132.6	126.7	-135.1	-34.1	0	0	0	113.7
529	K	41.6	Very low	38.1	Very low	178 Å²	178	152.7 Å²	152.7	77%	0.774	75%	0.747	S	S	*	*			trans	166.3	123.8	132.7	-93.3	161.3	-177.9	159.8	0	115.4
530	K	40.4	Very low	38.2	Very low	155 Å²	155	152.8 Å²	152.8	67%	0.674	74%	0.744	S	S	*	*			trans	70.8	149.9	134.6	-67.7	-174.4	141.8	-66.2	0	119.3
531	D	43.4	Very low	38.3	Very low	118 Å²	118	152 Å²	152	63%	0.631	74%	0.736	S	S	*	*			cis	-143.8	122.3	-15.5	-88.1	-43.9	0	0	0	104.7
532	N	39.2	Very low	38.4	Very low	137 Å²	137	152.6 Å²	152.6	73%	0.733	73%	0.731	S	S	*	*				79	134.8	81.8	-165.3	49.8	0	0	0	116.8
533	D	39.8	Very low	38.6	Very low	114 Å²	114	149.8 Å²	149.8	61%	0.61	73%	0.725	S	S	*	*			trans	53.5	108.4	165.1	-90.6	-57.2	0	0	0	120.9
534	K	42.4	Very low	38.9	Very low	201 Å²	201	148.6 Å²	148.6	87%	0.874	73%	0.726	S	S	*	*				-168.5	143	95.4	-115.9	167.4	-175.2	161.3	0	117.4
535	K	39.5	Very low	39	Very low	178 Å²	178	145 Å²	145	77%	0.774	72%	0.716	S	S	*	*			trans	-63	145.6	167.3	-51.4	165.3	-176.7	177.1	0	111.9
536	K	39.6	Very low	38.9	Very low	198 Å²	198	145.4 Å²	145.4	86%	0.861	72%	0.715	S	S	*	*				-172.4	157.7	92.8	-121.9	-167.7	172.4	-157.9	0	114.1
537	D	37.2	Very low	38.8	Very low	128 Å²	128	146.2 Å²	146.2	68%	0.684	71%	0.712	S	S	*	*			trans	-93.1	-179.5	-175.8	-40.8	-95.2	0	0	0	113
538	D	41.9	Very low	38.7	Very low	160 Å²	160	145.5 Å²	145.5	86%	0.856	70%	0.704	S	S	*	*			trans	66.4	135.6	163.4	-56	-36	0	0	0	117.4
539	N	35.8	Very low	38.7	Very low	121 Å²	121	145.6 Å²	145.6	65%	0.647	71%	0.705	S	S	*	*			cis	164.1	154.5	6	167.5	52	0	0	0	104.3
540	D	35	Very low	38.7	Very low	125 Å²	125	141.5 Å²	141.5	67%	0.668	70%	0.704	S	S	*	*			trans	58.9	148.8	163.4	-80.6	-23.3	0	0	0	119.5
541	E	34.7	Very low	38.3	Very low	130 Å²	130	142.6 Å²	142.6	61%	0.607	71%	0.712	S	S	*	*			cis	-162.5	168.8	-17.8	-147.1	-166.4	160.1	0	0	108.9
542	K	37.9	Very low	38.2	Very low	147 Å²	147	143.3 Å²	143.3	64%	0.639	72%	0.715	S	S	*	*			trans	72.6	146.8	146	-90.6	177.1	178.2	76.6	0	122.1
543	N	38.6	Very low	38.1	Very low	123 Å²	123	144.9 Å²	144.9	66%	0.658	72%	0.716	S	S	*	*			trans	74.6	115.8	157.4	-65.2	25.2	0	0	0	117.1
544	D	38.1	Very low	38.1	Very low	137 Å²	137	147 Å²	147	73%	0.733	72%	0.719	S	S	*	*				76.8	134	63.5	-65.3	-30.8	0	0	0	111
545	D	39	Very low	37.7	Very low	107 Å²	107	146.4 Å²	146.4	57%	0.572	72%	0.717	S	S	*	*			cis	-166	159.8	7.3	-148	-21.3	0	0	0	109.6
546	K	38.5	Very low	37.6	Very low	164 Å²	164	145 Å²	145	71%	0.713	72%	0.718	S	S	*	*			trans	62.9	163.5	148.7	-80.8	161.9	-172.6	71.3	0	119
547	K	35	Very low	37.4	Very low	151 Å²	151	138.8 Å²	138.8	66%	0.657	71%	0.71	S	S	*	*			cis	-170.6	137.1	-14.2	168.8	165.3	-163.8	-177.8	0	113.7
548	E	37.2	Very low	37.3	Very low	137 Å²	137	139.9 Å²	139.9	64%	0.64	72%	0.716	S	S	*	*			trans	37.4	132.5	145.2	-67.8	157.7	-134.6	0	0	125
549	D	38.2	Very low	37.2	Very low	149 Å²	149	137.6 Å²	137.6	80%	0.797	70%	0.703	S	S	*	*				81.8	170.7	120.2	-62.2	-0.8	0	0	0	126.2
550	A	40.7	Very low	37.2	Very low	92 Å²	92	140.4 Å²	140.4	76%	0.76	71%	0.71	S	S	*	*			trans	76.8	111.3	-175.9	0	0	0	0	0	116.2
551	E	33.8	Very low	37.2	Very low	178 Å²	178	144.1 Å²	144.1	83%	0.832	72%	0.72	S	S	*	*				70.1	117.6	56.1	-70.9	-142.3	124.7	0	0	116.5
552	D	41	Very low	37.1	Very low	132 Å²	132	146.6 Å²	146.6	71%	0.706	73%	0.729	S	S	*	*				-160.6	164.5	110.1	-162.6	4.9	0	0	0	110.8	K554	D552-K554 VanDerWaalsContact CG-NZ 3.3Å; D552-K554 IonicContact OD1-NZ 2.75Å; D552-K554 PolarHBondContact OD1-NZ 3.43Å; D552-K554 IonicContact OD2-NZ 3.41Å; D552-K554 PolarHBondContact OD2-NZ 3.44Å
553	K	36.4	Very low	36.9	Very low	170 Å²	170	146.2 Å²	146.2	74%	0.739	74%	0.738	S	S	*	*			trans	-134	128.3	176.3	-69.1	166.5	177.4	153.1	0	111.1
554	K	38.8	Very low	36.6	Very low	158 Å²	158	143.5 Å²	143.5	69%	0.687	74%	0.739	S	S	*	*			trans	-162.4	138.3	144.9	-76	106.8	-156.7	148.5	0	107.1	D552	D552-K554 VanDerWaalsContact CG-NZ 3.3Å; D552-K554 IonicContact OD1-NZ 2.75Å; D552-K554 PolarHBondContact OD1-NZ 3.43Å; D552-K554 IonicContact OD2-NZ 3.41Å; D552-K554 PolarHBondContact OD2-NZ 3.44Å
555	K	34.8	Very low	36.5	Very low	190 Å²	190	142.9 Å²	142.9	83%	0.826	74%	0.736	S	S	*	*			cis	82.2	150.8	19.4	-145.3	-178.6	-178.8	-172.6	0	114.9
556	D	38.3	Very low	36.3	Very low	148 Å²	148	145.3 Å²	145.3	79%	0.791	74%	0.742	S	S	*	*			trans	75.8	145.3	-176.1	-46.8	-31.9	0	0	0	114.8
557	G	35.3	Very low	36.1	Very low	67 Å²	67	145.4 Å²	145.4	69%	0.691	74%	0.742	S	S	*	*			cis	173.1	164.5	-6.2	0	0	0	0	0	112.6
558	N	34.5	Very low	36.1	Very low	151 Å²	151	146 Å²	146	81%	0.807	75%	0.745	S	S	*	*			trans	60.9	164.1	175.8	-73.6	18.7	0	0	0	117.1
559	D	40.1	Very low	36	Very low	112 Å²	112	144.4 Å²	144.4	60%	0.599	74%	0.741	S	S	*	*			cis	-145.4	128.8	-19.2	-110.1	-45.2	0	0	0	104.9
560	K	35.7	Very low	36.1	Very low	181 Å²	181	143.3 Å²	143.3	79%	0.787	74%	0.735	S	S	*	*				73.9	126.4	75	-161.3	178.4	-170	167.7	0	114.6
561	K	34.6	Very low	36.1	Very low	202 Å²	202	145 Å²	145	88%	0.878	73%	0.731	S	S	*	*			trans	80.3	149.4	157.8	-148.3	177.2	-172.9	-176.6	0	116
562	K	33.7	Very low	36.5	Very low	182 Å²	182	141.7 Å²	141.7	79%	0.791	72%	0.719	S	S	*	*			cis	-179.3	151.6	-34.1	-167.4	176.6	-176.4	178.3	0	105.3
563	V	33.2	Very low	36.5	Very low	139 Å²	139	142.9 Å²	142.9	84%	0.842	72%	0.718	S	S	*	*			trans	72	139.3	176.1	-164.2	0	0	0	0	113.4
564	G	31.1	Very low	36.7	Very low	66 Å²	66	141.7 Å²	141.7	68%	0.68	71%	0.713	S	S	*	*			cis	156.6	176.6	-12.2	0	0	0	0	0	114.1
565	D	36.6	Very low	36.9	Very low	125 Å²	125	139.1 Å²	139.1	67%	0.668	71%	0.707	S	S	*	*			trans	78.4	133.1	163.3	-138	7.2	0	0	0	120.5
566	K	34.6	Very low	37.3	Very low	158 Å²	158	136.6 Å²	136.6	69%	0.687	70%	0.702	S	S	*	*			trans	41.9	133.6	150.1	-81.3	167.2	-159.8	80	0	120.3
567	K	33.8	Very low	37.4	Very low	166 Å²	166	134.9 Å²	134.9	72%	0.722	69%	0.693	S	S	*	*			cis	146.2	151.6	22.9	157.6	172.1	177.9	173.9	0	107.2
568	K	35.2	Very low	37.7	Very low	164 Å²	164	137.8 Å²	137.8	71%	0.713	69%	0.693	S	S	*	*			trans	70.5	140.2	162.9	-89.2	-159.6	163.1	-134.5	0	116.2
569	N	36.6	Very low	38	Very low	102 Å²	102	136.2 Å²	136.2	55%	0.545	68%	0.678	S	S	.	*			cis	179.2	178.5	5.6	-134.6	43.4	0	0	0	107.4
570	D	40	Very low	38	Very low	126 Å²	126	139 Å²	139	67%	0.674	69%	0.686	S	S	*	*			trans	69.1	135.5	151.4	-52.3	-17.8	0	0	0	118.2
571	D	40.2	Very low	38.2	Very low	129 Å²	129	137.6 Å²	137.6	69%	0.69	68%	0.679	S	S	*	*			cis	-163.1	178.6	-12.1	-137.9	-25	0	0	0	111.8
572	D	42	Very low	38.4	Very low	107 Å²	107	133 Å²	133	57%	0.572	66%	0.664	S	S	*	*			trans	67.9	154.9	151.2	-75.9	-4.4	0	0	0	120.2
573	K	42	Very low	38.6	Very low	157 Å²	157	131.5 Å²	131.5	68%	0.683	67%	0.665	S	S	*	*			cis	-171.6	162	-14.2	-109.1	178	179.8	75.1	0	106.9
574	K	39.7	Very low	39	Very low	146 Å²	146	130.8 Å²	130.8	64%	0.635	66%	0.657	S	S	*	*			cis	-169.5	164.5	-18.3	-139.1	-178.1	154.5	-77.7	0	107.6
575	D	43	Very low	39.4	Very low	104 Å²	104	135.1 Å²	135.1	56%	0.556	66%	0.656	S	S	*	*			trans	67.2	150.8	150.9	-59.8	-17.7	0	0	0	120.2
576	D	43	Very low	39.4	Very low	137 Å²	137	138.4 Å²	138.4	73%	0.733	67%	0.665	S	S	*	*			cis	-143.4	165.9	4.9	-118.1	-26.3	0	0	0	114.2
577	D	40.4	Very low	39.3	Very low	111 Å²	111	138.4 Å²	138.4	59%	0.594	67%	0.665	S	S	*	*			trans	-34.4	172.3	163.1	-102.3	-51.5	0	0	0	118.6	K579	D577-K579 IonicContact OD1-NZ 3.12Å; D577-K579 PolarHBondContact OD1-NZ 3Å; D577-K579 IonicContact OD2-NZ 3.57Å; D577-K579 PolarHBondContact OD2-NZ 2.86Å
578	D	42.5	Very low	39.7	Very low	129 Å²	129	136.4 Å²	136.4	69%	0.69	66%	0.662	S	S	*	*			cis	-156.9	120.4	40.8	-148.5	-2	0	0	0	117.3
579	K	40.6	Very low	39.5	Very low	117 Å²	117	137.4 Å²	137.4	51%	0.509	67%	0.669	S	S	.	*			trans	37.2	133.8	139.3	-69.1	172.2	-152.5	63.6	0	125.4	D577	D577-K579 IonicContact OD1-NZ 3.12Å; D577-K579 PolarHBondContact OD1-NZ 3Å; D577-K579 IonicContact OD2-NZ 3.57Å; D577-K579 PolarHBondContact OD2-NZ 2.86Å
580	K	39.3	Very low	39.4	Very low	172 Å²	172	140.1 Å²	140.1	75%	0.748	68%	0.684	S	S	*	*				83.5	152	128.7	-74.9	174.9	-175.6	171.9	0	119.5
581	K	39.9	Very low	39	Very low	150 Å²	150	143.3 Å²	143.3	65%	0.652	70%	0.695	S	S	*	*			cis	-157.6	160	10.3	-131.2	-174.7	167.2	-70.1	0	113.7
582	D	39.6	Very low	38.8	Very low	105 Å²	105	144.9 Å²	144.9	56%	0.561	70%	0.703	S	S	*	*			trans	49	109.3	152.7	-54.8	-13.1	0	0	0	119.5
583	D	36.5	Very low	38.5	Very low	152 Å²	152	149.5 Å²	149.5	81%	0.813	72%	0.718	S	S	*	*				82	105.8	78.8	-84.6	-39.4	0	0	0	115.4
584	D	42.4	Very low	38.3	Very low	124 Å²	124	150.8 Å²	150.8	66%	0.663	72%	0.724	S	S	*	*				-163.6	146.2	104.4	-142.8	-2.3	0	0	0	116.1
585	K	39.5	Very low	38.3	Very low	156 Å²	156	155.4 Å²	155.4	68%	0.678	74%	0.737	S	S	*	*			trans	20.1	118.2	163.1	-70.9	159	-161	77.1	0	122.3
586	K	35.9	Very low	38	Very low	195 Å²	195	156.4 Å²	156.4	85%	0.848	74%	0.743	S	S	*	*				42.1	139.9	111.3	-74	-179.2	176.6	178.1	0	119
587	K	33.3	Very low	37.6	Very low	158 Å²	158	157 Å²	157	69%	0.687	74%	0.741	S	S	*	*			cis	-170.3	166	36.7	-142	178.6	155.2	-74.8	0	112.4
588	D	41.4	Very low	37.5	Very low	124 Å²	124	159.9 Å²	159.9	66%	0.663	75%	0.748	S	S	*	*			trans	75.2	96.4	154.4	-58.2	-33.2	0	0	0	120.6
589	E	32.4	Very low	37.2	Very low	184 Å²	184	163.4 Å²	163.4	86%	0.86	76%	0.757	S	S	*	*			trans	-83.2	168.6	146.3	-63	164.4	124.1	0	0	110.2
590	D	33.1	Very low	37.1	Very low	160 Å²	160	167.1 Å²	167.1	86%	0.856	77%	0.774	S	S	*	*			trans	35.5	99.9	161.6	-74.9	-22.9	0	0	0	120.2
591	E	31.8	Very low	36.8	Very low	193 Å²	193	166.1 Å²	166.1	90%	0.902	78%	0.776	S	S	*	*				-178.9	119.3	124.2	-106.7	-172.7	177.3	0	0	111.6
592	D	37.5	Very low	36.6	Very low	161 Å²	161	165.2 Å²	165.2	86%	0.861	78%	0.779	S	S	*	*			trans	-152.9	70.1	149.7	-147.7	-15.7	0	0	0	111.9
593	K	35	Very low	36.5	Very low	205 Å²	205	166.6 Å²	166.6	89%	0.891	79%	0.786	S	S	*	*	S	Bend	trans	-143	31.2	177.2	-145.7	171.6	-171.9	172.4	0	114.6
594	K	37.6	Very low	36.3	Very low	184 Å²	184	168.6 Å²	168.6	80%	0.8	79%	0.79	S	S	*	*			trans	-163.7	128.1	166.2	-119.1	171.8	-176.4	178.4	0	112.8
595	R	39.6	Very low	35.9	Very low	242 Å²	242	172 Å²	172	91%	0.913	80%	0.799	S	S	*	*			trans	-152.7	82	162.8	-154.4	171.6	-161.9	178.6	9.3	113.8
596	D	37.4	Very low	35.7	Very low	126 Å²	126	173.8 Å²	173.8	67%	0.674	81%	0.807	S	S	*	*			trans	-59.9	164.7	146.8	-57.3	-76.6	0	0	0	109
597	E	34	Very low	35.7	Very low	149 Å²	149	172.4 Å²	172.4	70%	0.696	80%	0.801	S	S	*	*			cis	-167.1	176.6	28.9	-158.2	-172.2	-133	0	0	110.3
598	K	38.1	Very low	35.7	Very low	172 Å²	172	171.4 Å²	171.4	75%	0.748	80%	0.803	S	S	*	*			trans	69.6	95.1	161.8	-56.5	-176.1	176	77.1	0	119.2
599	K	37.1	Very low	35.8	Very low	202 Å²	202	172.3 Å²	172.3	88%	0.878	81%	0.808	S	S	*	*				-163.4	135.4	109.2	-115.8	168.2	-176	167.4	0	115.3
600	K	38.7	Very low	36	Very low	196 Å²	196	171.2 Å²	171.2	85%	0.852	81%	0.808	S	S	*	*			trans	68.9	95.8	163.4	-63.8	-172.2	173.6	-173.1	0	118.7
601	N	32.2	Very low	36.2	Very low	151 Å²	151	169 Å²	169	81%	0.807	80%	0.797	S	S	*	*			trans	-60.1	151.9	137.6	-54.5	-1	0	0	0	109.4
602	N	35.9	Very low	36.4	Very low	131 Å²	131	167.3 Å²	167.3	70%	0.701	79%	0.786	S	S	*	*				-171	157.3	102.4	-122.2	48.9	0	0	0	114.1
603	D	37.5	Very low	36.5	Very low	134 Å²	134	169.1 Å²	169.1	72%	0.717	79%	0.786	S	S	*	*			trans	60.9	84.2	156.2	-59.2	-45.7	0	0	0	120.4	K605	D603-K605 PolarHBondContact O-N 2.68Å
604	E	31.8	Very low	36.6	Very low	193 Å²	193	166.9 Å²	166.9	90%	0.902	78%	0.777	S	S	*	*			trans	-62.8	108.9	135.6	-63.8	177.8	128.1	0	0	110
605	K	33.4	Very low	36.5	Very low	195 Å²	195	163.6 Å²	163.6	85%	0.848	77%	0.768	S	S	*	*			trans	-173.7	148	149.4	-112.5	152.3	-171.4	160.2	0	114.3	D603	D603-K605 PolarHBondContact O-N 2.68Å
606	K	36.6	Very low	36.6	Very low	194 Å²	194	159.4 Å²	159.4	84%	0.843	76%	0.764	S	S	*	*			trans	76.2	141.2	173.8	-63.4	-178.4	179.2	-178.1	0	115.8
607	K	35.7	Very low	36.8	Very low	166 Å²	166	159.4 Å²	159.4	72%	0.722	76%	0.764	S	S	*	*			cis	-168.7	162.4	-27.2	-136.1	-175.2	168	-127.9	0	109
608	D	33.6	Very low	37.1	Very low	137 Å²	137	158 Å²	158	73%	0.733	76%	0.761	S	S	*	*			trans	-65.7	134.6	159.6	-26.2	-101.2	0	0	0	110.2
609	D	42.6	Very low	37.3	Very low	144 Å²	144	155 Å²	155	77%	0.77	75%	0.753	S	S	*	*			trans	-173.2	91.8	159.7	-84.9	-40	0	0	0	104.7
610	D	36	Very low	37.4	Very low	161 Å²	161	153.3 Å²	153.3	86%	0.861	75%	0.746	S	S	*	*				94.3	160.3	58.3	-161.2	18.5	0	0	0	112.4
611	D	37.1	Very low	37.6	Very low	114 Å²	114	149.7 Å²	149.7	61%	0.61	74%	0.736	S	S	*	*			trans	-86.8	165.7	-151.9	-159.3	2.8	0	0	0	115.3
612	K	36.8	Very low	38.1	Very low	157 Å²	157	149.7 Å²	149.7	68%	0.683	74%	0.736	S	S	*	*			trans	59.2	112	163.2	-63.4	172.7	-178.2	71.2	0	120.7
613	K	39	Very low	38.3	Very low	198 Å²	198	150.2 Å²	150.2	86%	0.861	74%	0.738	S	S	*	*				-162.2	118.7	118.9	-102.1	152.5	-177.5	174.4	0	108.5
614	K	38	Very low	38.5	Very low	159 Å²	159	149 Å²	149	69%	0.691	73%	0.732	S	S	*	*				88.1	111.2	58.5	-89	-168.5	147.7	-68.9	0	113.4
615	D	36.1	Very low	38.9	Very low	114 Å²	114	147.1 Å²	147.1	61%	0.61	72%	0.721	S	S	*	*			trans	70.6	167.4	135.4	-42.1	-21.1	0	0	0	119.8
616	D	41.9	Very low	39.3	Very low	155 Å²	155	146.2 Å²	146.2	83%	0.829	72%	0.717	S	S	*	*			trans	70.3	123.9	175.4	-56.5	-9	0	0	0	117.6
617	D	40.1	Very low	39.3	Very low	126 Å²	126	144.9 Å²	144.9	67%	0.674	71%	0.711	S	S	*	*			cis	-162.8	164.4	-14.3	-158.8	13.1	0	0	0	112.1
618	N	41.2	Very low	39.5	Very low	119 Å²	119	142.3 Å²	142.3	64%	0.636	71%	0.705	S	S	*	*			trans	28.7	142.4	149.4	-82.9	-51.4	0	0	0	121.3
619	N	42.2	Very low	39.8	Very low	110 Å²	110	143.4 Å²	143.4	59%	0.588	71%	0.711	S	S	*	*			cis	-171.3	152.1	24.8	-138	-36.9	0	0	0	111.6
620	K	39.6	Very low	39.4	Very low	166 Å²	166	143.6 Å²	143.6	72%	0.722	71%	0.707	S	S	*	*			trans	60.6	151.2	144.8	-83.5	161.3	-175.8	-161.9	0	123.1
621	D	42.3	Very low	39.4	Very low	120 Å²	120	143 Å²	143	64%	0.642	70%	0.697	S	S	*	*			cis	-177.3	168	-36.6	-97.7	-12.7	0	0	0	106.9
622	D	43.1	Very low	39.5	Very low	151 Å²	151	146.9 Å²	146.9	81%	0.807	71%	0.708	S	S	*	*			trans	64.3	154.4	159.7	-55	-28.2	0	0	0	121.1
623	D	40.8	Very low	39.5	Very low	142 Å²	142	149.1 Å²	149.1	76%	0.759	72%	0.718	S	S	*	*				-160.3	158.9	-55	-151.7	-5.4	0	0	0	111
624	D	41.2	Very low	39.4	Very low	108 Å²	108	143.7 Å²	143.7	58%	0.578	71%	0.71	S	S	*	*			trans	67.6	153.8	141.7	-143	-6.7	0	0	0	123.5
625	K	40.8	Very low	39.5	Very low	154 Å²	154	143.3 Å²	143.3	67%	0.67	72%	0.715	S	S	*	*			trans	76.9	93.2	157.6	-57	-165.2	179.6	63.1	0	122.2
626	K	39.8	Very low	39.6	Very low	176 Å²	176	145.1 Å²	145.1	77%	0.765	73%	0.725	S	S	*	*				71	121.7	111	-80.3	-175.8	177.7	-175.8	0	121.4
627	K	37.6	Very low	39.6	Very low	165 Å²	165	143.1 Å²	143.1	72%	0.717	71%	0.714	S	S	*	*				49.6	129.1	109.6	-90.8	178.8	144.4	-79.2	0	117.8
628	D	39.6	Very low	39.7	Very low	113 Å²	113	145 Å²	145	60%	0.604	72%	0.716	S	S	*	*				-173.2	171	54.6	-94.2	-38.9	0	0	0	112.6
629	D	39.5	Very low	39.6	Very low	159 Å²	159	148.3 Å²	148.3	85%	0.85	73%	0.725	S	S	*	*			trans	70.9	150.8	144.3	-71	-6.1	0	0	0	126.9
630	E	35.4	Very low	39.5	Very low	148 Å²	148	151 Å²	151	69%	0.692	73%	0.732	S	S	*	*			trans	-70.2	153.6	-168.6	-79.5	-160	114.8	0	0	119.6
631	K	36.3	Very low	39.6	Very low	150 Å²	150	149.8 Å²	149.8	65%	0.652	73%	0.733	S	S	*	*				64.2	106	128.2	-175.7	-169.6	-67.7	149.5	0	119.8
632	K	38.4	Very low	39.6	Very low	195 Å²	195	150.4 Å²	150.4	85%	0.848	74%	0.737	S	S	*	*				-169.1	138.3	128.2	-104.6	147	-169.6	166.8	0	115.2
633	K	37.4	Very low	39.4	Very low	204 Å²	204	150.3 Å²	150.3	89%	0.887	74%	0.736	S	S	*	*			trans	28.5	143.1	142.6	-63.2	-169.1	172.8	-166.1	0	122.6
634	A	35.5	Very low	39.3	Very low	83 Å²	83	149.2 Å²	149.2	69%	0.686	73%	0.73	S	S	*	*			trans	-50.6	160.2	165.6	0	0	0	0	0	116.1
635	D	40.4	Very low	39.4	Very low	151 Å²	151	153.1 Å²	153.1	81%	0.807	74%	0.742	S	S	*	*				-165.6	166.5	105.2	-88.1	-31.3	0	0	0	111.4
636	D	39.6	Very low	39.3	Very low	153 Å²	153	153.9 Å²	153.9	82%	0.818	75%	0.746	S	S	*	*			trans	57.6	159.3	163.4	-74.8	-3.1	0	0	0	122.6
637	D	41.1	Very low	39.4	Very low	112 Å²	112	150.2 Å²	150.2	60%	0.599	73%	0.734	S	S	*	*			cis	-171.7	164.6	-39.2	-170	17.5	0	0	0	108.9
638	K	41.7	Very low	39.4	Very low	165 Å²	165	149.4 Å²	149.4	72%	0.717	74%	0.738	S	S	*	*			trans	70.5	150	170	-63.2	167	-174.2	68.9	0	115.5
639	K	40	Very low	39.4	Very low	189 Å²	189	149.5 Å²	149.5	82%	0.822	74%	0.738	S	S	*	*			cis	-140.6	154.2	16	-150.7	172.7	-178.8	-174.3	0	112.1
640	K	40.7	Very low	39.3	Very low	166 Å²	166	148 Å²	148	72%	0.722	73%	0.726	S	S	*	*			trans	-82.9	170.9	175.8	-71.7	-175.5	170.2	-165.4	0	112.3
641	D	39.6	Very low	39.5	Very low	142 Å²	142	147.7 Å²	147.7	76%	0.759	72%	0.722	S	S	*	*				164.7	148.7	114.2	-73.6	-14.3	0	0	0	109.3
642	D	42.4	Very low	39.7	Very low	133 Å²	133	146.9 Å²	146.9	71%	0.711	72%	0.719	S	S	*	*			cis	-168.6	138.5	-36.5	-143.3	28.3	0	0	0	107
643	D	40.1	Very low	39.7	Very low	149 Å²	149	145.2 Å²	145.2	80%	0.797	71%	0.712	S	S	*	*			trans	-175.8	135.2	141.2	-138.3	-28.5	0	0	0	110.9	K446	K446-D643 IonicContact NZ-OD1 2.67Å
644	D	38.6	Very low	39.8	Very low	119 Å²	119	140.9 Å²	140.9	64%	0.636	70%	0.698	S	S	*	*			trans	-140.3	139	-173.7	-158.3	-17.9	0	0	0	111	K446	K446-D644 PolarHBondContact NZ-O 2.92Å
645	K	43	Very low	40.1	Very low	189 Å²	189	144 Å²	144	82%	0.822	70%	0.703	S	S	*	*			trans	-153.1	106.5	164.3	-147.4	174	-173.3	-179.2	0	112.4
646	K	39.2	Very low	40.1	Very low	171 Å²	171	142.8 Å²	142.8	74%	0.743	70%	0.697	S	S	*	*			trans	-132.2	139.1	176.8	-176.1	-176.5	-175.1	-177.9	0	107.1
647	D	41.4	Very low	40.3	Very low	98 Å²	98	142.9 Å²	142.9	52%	0.524	69%	0.69	S	S	.	*			trans	-173.3	138.6	137.4	-104.6	-11.6	0	0	0	111.9	N444	N444-D647 WeakPolarHBondContact CA-OD2 2.86Å; N444-D647 WeakPolarHBondContact CB-OD2 3.34Å; N444-D647 PolarHBondContact N-OD2 2.61Å
648	N	38.8	Very low	40.3	Very low	149 Å²	149	146 Å²	146	80%	0.797	70%	0.698	S	S	*	*			trans	-164.9	95.6	169.3	173.2	82.1	0	0	0	108.9
649	D	38.9	Very low	40.3	Very low	115 Å²	115	145.9 Å²	145.9	62%	0.615	70%	0.698	S	S	*	*			trans	-165.8	145.6	137.7	-130.3	-36.9	0	0	0	109.8
650	E	37.6	Very low	40.5	Very low	126 Å²	126	141.7 Å²	141.7	59%	0.589	68%	0.684	S	S	*	*				165.7	-180	90	-133.8	-167.1	-162.4	0	0	111.8	K441	K441-E650 WeakPolarHBondContact CE-O 3.37Å; K441-E650 PolarHBondContact NZ-O 3.2Å
651	K	39.5	Very low	40.6	Very low	142 Å²	142	140.6 Å²	140.6	62%	0.617	69%	0.687	S	S	*	*			trans	-96.3	163.2	-157.7	-60.6	174.8	-177.5	71.5	0	113	K441	K441-K651 WeakPolarHBondContact CE-O 3.38Å
652	K	40.3	Very low	40.7	Very low	133 Å²	133	140.2 Å²	140.2	58%	0.578	68%	0.684	S	S	*	*			trans	-143.7	121.8	149.6	-132.7	-179.9	-179.2	-174.1	0	107.9	K439 K440	K439-K652 VanDerWaalsContact O-CE 3.31Å; K439-K652 WeakPolarHBondContact O-CE 3.33Å; K439-K652 PolarHBondContact O-NZ 2.65Å; K440-K652 HydrophobicContact CB-CG 4.38Å; K440-K652 HydrophobicContact CD-CG 3.79Å; K440-K652 HydrophobicContact CG-CG 4.27Å; K440-K652 WeakPolarHBondContact O-CE 3.32Å
653	K	38.9	Very low	40.7	Very low	160 Å²	160	138.9 Å²	138.9	70%	0.696	68%	0.677	S	S	*	*			trans	-94.7	176.8	172.2	-68	-176.3	164.2	-168.1	0	111.3	K440	K440-K653 PolarHBondContact NZ-O 2.74Å
654	D	39.8	Very low	40.8	Very low	113 Å²	113	138.4 Å²	138.4	60%	0.604	67%	0.668	S	S	*	*			trans	87.8	135.6	157.9	-35.2	-49.4	0	0	0	112.4	K440	K440-D654 IonicContact NZ-OD2 2.68Å; K440-D654 PolarHBondContact NZ-OD2 2.7Å
655	D	40.8	Very low	40.9	Very low	148 Å²	148	141.5 Å²	141.5	79%	0.791	68%	0.676	S	S	*	*			cis	-154.7	-176.5	14.6	-125.3	-38.9	0	0	0	113.1
656	D	41.2	Very low	40.9	Very low	126 Å²	126	139 Å²	139	67%	0.674	67%	0.665	S	S	*	*			trans	69.1	149.6	173.3	-83.5	-42.2	0	0	0	117.7
657	K	41.9	Very low	41	Very low	155 Å²	155	137.2 Å²	137.2	67%	0.674	66%	0.663	S	S	*	*			cis	-160.3	156.9	7.1	-133.4	161	-164.1	71.7	0	111.5
658	K	42.6	Very low	41.1	Very low	178 Å²	178	138.4 Å²	138.4	77%	0.774	67%	0.67	S	S	*	*			trans	71.5	121.7	159.6	-76.1	-174.5	178.1	-179.4	0	117.7
659	K	41	Very low	41.1	Very low	162 Å²	162	137.5 Å²	137.5	70%	0.704	67%	0.665	S	S	*	*				80.1	138.5	85.1	-75.7	-167.6	137.8	-71.8	0	112.9
660	D	43.8	Very low	41.1	Very low	102 Å²	102	137.5 Å²	137.5	55%	0.545	67%	0.665	S	S	.	*			cis	-150.4	162.2	-0.1	-85	-36.3	0	0	0	109.5
661	D	44.1	Very low	41.1	Very low	143 Å²	143	138.8 Å²	138.8	77%	0.765	67%	0.669	S	S	*	*			trans	33.8	156.1	146.7	-44.3	-30.3	0	0	0	121.6
662	D	40.9	Very low	41	Very low	133 Å²	133	140.6 Å²	140.6	71%	0.711	68%	0.677	S	S	*	*			cis	-159.6	166.6	13.4	-152.2	-15.8	0	0	0	111.3
663	D	42.3	Very low	40.9	Very low	105 Å²	105	142.4 Å²	142.4	56%	0.561	69%	0.685	S	S	*	*			trans	53.8	149.5	146.2	-95.2	-2.7	0	0	0	123.9
664	K	41.4	Very low	41	Very low	139 Å²	139	140.9 Å²	140.9	60%	0.604	68%	0.684	S	S	*	*			cis	-168.9	132.9	-9.9	-144.7	173.5	-153.4	80.2	0	110.6
665	K	42	Very low	41	Very low	185 Å²	185	143 Å²	143	80%	0.804	69%	0.687	S	S	*	*			trans	58.3	157.6	153.9	-71.7	169.9	-176.9	-175.5	0	118.7
666	K	42.2	Very low	40.7	Very low	137 Å²	137	141.7 Å²	141.7	60%	0.596	68%	0.681	S	S	*	*			cis	-155.8	-152.1	-31.9	-137.3	-175.7	149.8	-70.1	0	105.2	D668	K666-D668 IonicContact NZ-OD2 3.69Å; K666-D668 PolarHBondContact NZ-OD2 2.73Å
667	D	42.7	Very low	40.6	Very low	132 Å²	132	141.2 Å²	141.2	71%	0.706	68%	0.678	S	S	*	*			cis	-146.1	179.9	7.3	-136.6	-54.5	0	0	0	110.5
668	D	41.9	Very low	40.4	Very low	123 Å²	123	140.9 Å²	140.9	66%	0.658	68%	0.677	S	S	*	*			trans	-113.6	163.6	-161.6	-65.3	-58.3	0	0	0	117.4	K666	K666-D668 IonicContact NZ-OD2 3.69Å; K666-D668 PolarHBondContact NZ-OD2 2.73Å
669	D	39.6	Very low	40.2	Very low	131 Å²	131	140.2 Å²	140.2	70%	0.701	67%	0.674	S	S	*	*			trans	91	156.1	132.2	-110.6	-36.1	0	0	0	126.2	K671	D669-K671 IonicContact OD1-NZ 2.74Å; D669-K671 PolarHBondContact OD1-NZ 2.63Å
670	D	39.6	Very low	40.1	Very low	115 Å²	115	139.9 Å²	139.9	62%	0.615	67%	0.672	S	S	*	*			trans	45.2	121.1	164.1	-80.1	-29.3	0	0	0	121.1
671	K	36.8	Very low	40.1	Very low	153 Å²	153	139.3 Å²	139.3	67%	0.665	67%	0.669	S	S	*	*				80.3	131.9	53.9	-69.1	-172.7	-147.2	69.8	0	116	D669	D669-K671 IonicContact OD1-NZ 2.74Å; D669-K671 PolarHBondContact OD1-NZ 2.63Å
672	K	38.1	Very low	39.9	Very low	180 Å²	180	140.3 Å²	140.3	78%	0.783	67%	0.667	S	S	*	*			trans	71.8	118.8	146.3	-80.8	178.5	178.3	170	0	120.5
673	K	36.9	Very low	39.9	Very low	171 Å²	171	139.6 Å²	139.6	74%	0.743	66%	0.663	S	S	*	*				86.3	157.7	122.7	-90.2	-165.9	167.8	-160.6	0	120.9
674	D	41.8	Very low	39.8	Very low	127 Å²	127	140.5 Å²	140.5	68%	0.679	67%	0.668	S	S	*	*			trans	73.4	155.6	161.1	-60.6	-25.9	0	0	0	116.6
675	K	38.8	Very low	39.8	Very low	157 Å²	157	142.2 Å²	142.2	68%	0.683	68%	0.675	S	S	*	*			cis	170.7	129.3	-40	-123.2	179.1	150.8	-76.5	0	104.7
676	D	34.9	Very low	39.6	Very low	121 Å²	121	140.1 Å²	140.1	65%	0.647	67%	0.666	S	S	*	*			trans	65.4	153.3	153.2	-54.9	-41.4	0	0	0	120.8
677	D	40.3	Very low	39.7	Very low	116 Å²	116	138.7 Å²	138.7	62%	0.62	67%	0.665	S	S	*	*			trans	82.4	104.1	149.1	-89.2	9.2	0	0	0	124
678	K	37.5	Very low	39.7	Very low	148 Å²	148	138.7 Å²	138.7	64%	0.643	67%	0.665	S	S	*	*				68.7	132.4	122.5	-68.9	178.7	-179.3	81.4	0	117.1
679	K	38	Very low	39.7	Very low	165 Å²	165	137.9 Å²	137.9	72%	0.717	66%	0.661	S	S	*	*			cis	169.2	158.9	37.7	-125.8	173.8	179.5	174.5	0	108.8
680	K	38.9	Very low	39.7	Very low	154 Å²	154	139.4 Å²	139.4	67%	0.67	66%	0.661	S	S	*	*			trans	72.2	152.4	148	-72.2	-174.8	151.8	-70.4	0	118
681	D	42.5	Very low	39.4	Very low	91 Å²	91	142.9 Å²	142.9	49%	0.487	67%	0.671	S	S	.	*			cis	-155.5	152.2	-0.4	-124.6	-3.8	0	0	0	111.8
682	K	41.3	Very low	39.5	Very low	164 Å²	164	144.2 Å²	144.2	71%	0.713	68%	0.677	S	S	*	*			trans	72.8	150.1	150	-64.2	168.7	-171.3	170.1	0	119.4
683	D	40.7	Very low	39.3	Very low	118 Å²	118	142.2 Å²	142.2	63%	0.631	67%	0.674	S	S	*	*			cis	-150.9	147	-6.2	-122.3	-41.8	0	0	0	113.2
684	N	40.5	Very low	39.6	Very low	124 Å²	124	140.4 Å²	140.4	66%	0.663	67%	0.673	S	S	*	*			trans	27.4	147.5	149.1	-85.5	-76	0	0	0	122.7
685	K	40.2	Very low	39.5	Very low	174 Å²	174	141.3 Å²	141.3	76%	0.757	68%	0.678	S	S	*	*			cis	-160.1	136	33.3	-125.6	168.6	171.9	-178.6	0	109.2
686	K	39.2	Very low	39.6	Very low	142 Å²	142	139.2 Å²	139.2	62%	0.617	67%	0.674	S	S	*	*				68.9	145.6	99.5	-71.6	-162.4	135.8	-71.9	0	115.5
687	D	42.9	Very low	39.8	Very low	107 Å²	107	140.3 Å²	140.3	57%	0.572	67%	0.673	S	S	*	*			cis	-169.6	180	7	-93.5	-6.9	0	0	0	107.3
688	D	42.6	Very low	39.8	Very low	132 Å²	132	143.2 Å²	143.2	71%	0.706	68%	0.68	S	S	*	*			cis	-174.8	165.4	-25.4	-97.7	-24.2	0	0	0	105
689	D	41.9	Very low	40	Very low	106 Å²	106	142.8 Å²	142.8	57%	0.567	68%	0.678	S	S	*	*			cis	-174.9	145.2	-12.2	163.7	46.2	0	0	0	109.9
690	K	39.8	Very low	40.4	Very low	162 Å²	162	139.7 Å²	139.7	70%	0.704	67%	0.67	S	S	*	*			trans	62.6	155.6	174.4	-73.1	153.9	-168.8	72.5	0	118.2
691	K	33.9	Very low	40.8	Very low	189 Å²	189	138 Å²	138	82%	0.822	67%	0.668	S	S	*	*			cis	117.5	131.3	1.5	-174.6	-177.9	-179.6	173	0	114.2
692	K	38	Very low	40.7	Very low	181 Å²	181	139.6 Å²	139.6	79%	0.787	68%	0.676	S	S	*	*			trans	89.7	141.3	-178	-59	-173	179.9	-173.2	0	114.2
693	N	35.3	Very low	40.8	Very low	137 Å²	137	137.1 Å²	137.1	73%	0.733	67%	0.671	S	S	*	*			cis	110.3	147.8	25.8	-123.9	84	0	0	0	110.8
694	D	41.9	Very low	40.7	Very low	134 Å²	134	138.4 Å²	138.4	72%	0.717	67%	0.671	S	S	*	*			trans	73.4	144.6	168.1	-41.6	-29	0	0	0	116.1
695	D	39.9	Very low	40.6	Very low	146 Å²	146	140.9 Å²	140.9	78%	0.781	68%	0.676	S	S	*	*			cis	-161.2	154.2	-34.1	-155.2	-1	0	0	0	111.5
696	D	41.2	Very low	40.4	Very low	112 Å²	112	137.5 Å²	137.5	60%	0.599	67%	0.666	S	S	*	*			trans	58.7	152.9	149.5	-141.2	-3.9	0	0	0	125.1
697	K	39.6	Very low	40.5	Very low	145 Å²	145	136.5 Å²	136.5	63%	0.63	67%	0.667	S	S	*	*			trans	71.7	105.8	156.9	-72.5	-178.2	-169.5	69.7	0	124
698	K	40.6	Very low	40.2	Very low	176 Å²	176	138.6 Å²	138.6	77%	0.765	68%	0.678	S	S	*	*				68.7	151	113.2	-70.7	-176.3	179.1	-175.5	0	119.6
699	K	42.1	Very low	40	Very low	140 Å²	140	137.8 Å²	137.8	61%	0.609	67%	0.674	S	S	*	*			cis	-161.6	161.4	6.9	-128.6	-175.8	152.7	-75.1	0	110.7
700	D	45.2	Very low	39.7	Very low	100 Å²	100	140.1 Å²	140.1	54%	0.535	68%	0.679	S	S	.	*			trans	63.5	147.8	148.5	-56.3	-11.5	0	0	0	120.4
701	D	47.4	Very low	39.5	Very low	118 Å²	118	141.2 Å²	141.2	63%	0.631	68%	0.684	S	S	*	*			cis	-163.1	159.3	-16	-110.1	-25.6	0	0	0	110.8
702	N	41.3	Very low	39.6	Very low	125 Å²	125	140.1 Å²	140.1	67%	0.668	68%	0.679	S	S	*	*			trans	61.7	158.3	155.2	-65.4	-8.5	0	0	0	119.9
703	D	42	Very low	39.5	Very low	111 Å²	111	136.4 Å²	136.4	59%	0.594	67%	0.668	S	S	*	*			cis	-163	161	-24.4	-104.7	1.9	0	0	0	107.9
704	K	40.3	Very low	39.6	Very low	146 Å²	146	137 Å²	137	64%	0.635	67%	0.672	S	S	*	*			cis	163.6	116.8	-23.7	158.2	-179.2	162.6	-167.4	0	111.4
705	K	38.3	Very low	39.3	Very low	176 Å²	176	138 Å²	138	77%	0.765	68%	0.677	S	S	*	*			trans	65.9	167.4	152.1	-64.4	-162.1	166.2	-157.1	0	117.4
706	N	36	Very low	39.2	Very low	102 Å²	102	136.6 Å²	136.6	55%	0.545	67%	0.669	S	S	.	*			cis	-154.2	167.1	-21.6	-113.1	27.3	0	0	0	109.8
707	D	39.8	Very low	39	Very low	122 Å²	122	140.1 Å²	140.1	65%	0.652	68%	0.679	S	S	*	*			trans	35.7	142.4	139.4	-41.9	-18.7	0	0	0	123.5
708	D	37.3	Very low	38.9	Very low	150 Å²	150	141.2 Å²	141.2	80%	0.802	68%	0.684	S	S	*	*			trans	72.7	104.5	135.2	-74.4	-7.9	0	0	0	123.4
709	D	38.7	Very low	38.7	Very low	116 Å²	116	141 Å²	141	62%	0.62	68%	0.683	S	S	*	*				96.8	143.7	106.8	-163.3	34	0	0	0	120.4
710	K	34.6	Very low	38.5	Very low	154 Å²	154	140.4 Å²	140.4	67%	0.67	69%	0.686	S	S	*	*			trans	48.1	98.2	166.7	-82	158.4	-160.5	73.1	0	120.6
711	K	35.6	Very low	37.9	Very low	185 Å²	185	144.2 Å²	144.2	80%	0.804	70%	0.701	S	S	*	*				64.3	108.7	102.4	-176.8	-170.4	-175.3	177.8	0	117.9
712	K	35.8	Very low	37.4	Very low	167 Å²	167	144.1 Å²	144.1	73%	0.726	70%	0.7	S	S	*	*				-176.1	137.6	123.8	-101.4	174.6	158.4	-73.2	0	114.1
713	D	37.2	Very low	37.3	Very low	103 Å²	103	145.8 Å²	145.8	55%	0.551	70%	0.702	S	S	*	*			trans	40.1	127.6	133.9	-38.9	-10.1	0	0	0	121.3
714	D	37.8	Very low	37	Very low	150 Å²	150	149.6 Å²	149.6	80%	0.802	71%	0.713	S	S	*	*			trans	43.6	145.9	130.3	-43.2	-28.5	0	0	0	120.6
715	D	35.3	Very low	36.8	Very low	155 Å²	155	150.1 Å²	150.1	83%	0.829	72%	0.715	S	S	*	*			cis	-165.7	171.3	37	-156.7	2.8	0	0	0	114.5
716	D	37.1	Very low	36.7	Very low	116 Å²	116	147.2 Å²	147.2	62%	0.62	71%	0.708	S	S	*	*			trans	-27.8	133.4	176.5	-167	13	0	0	0	120.7
717	K	36.9	Very low	37	Very low	185 Å²	185	149.4 Å²	149.4	80%	0.804	72%	0.72	S	S	*	*				-167.5	110.7	128	-106.2	158.1	-161.4	124	0	117.7
718	K	37.8	Very low	36.9	Very low	169 Å²	169	150.7 Å²	150.7	74%	0.735	73%	0.727	S	S	*	*				61.7	130.5	123.6	-85.4	-177.3	178.4	172.3	0	123.6
719	K	37.4	Very low	37.1	Very low	170 Å²	170	148.6 Å²	148.6	74%	0.739	72%	0.715	S	S	*	*			trans	97.5	97.5	140.5	-76.6	-169	161.9	-150.5	0	120.7
720	D	36.1	Very low	37.2	Very low	128 Å²	128	150 Å²	150	68%	0.684	72%	0.716	S	S	*	*				50.5	125.6	103.1	-46.8	-23.7	0	0	0	120.2
721	E	32.9	Very low	37.5	Very low	181 Å²	181	150.8 Å²	150.8	85%	0.846	72%	0.719	S	S	*	*			trans	55	122.9	146.5	-56.1	-179.1	153.2	0	0	117.3
722	D	37.9	Very low	37.7	Very low	115 Å²	115	149 Å²	149	62%	0.615	71%	0.712	S	S	*	*				-173.1	169.6	60.7	-147.2	-8.8	0	0	0	115.3
723	K	37.7	Very low	38	Very low	160 Å²	160	146.1 Å²	146.1	70%	0.696	70%	0.704	S	S	*	*			trans	23.6	111.3	154.3	-73.8	156.1	-165.3	76.4	0	122.4
724	K	36.5	Very low	38.2	Very low	191 Å²	191	147 Å²	147	83%	0.83	71%	0.709	S	S	*	*				63.1	134.4	107.7	-120.1	-176	-177.5	-176.6	0	122.2
725	K	36.1	Very low	38.3	Very low	158 Å²	158	145.3 Å²	145.3	69%	0.687	70%	0.7	S	S	*	*			trans	91.4	106.9	152.1	-67.1	-170.9	137.5	-75.2	0	120.5
726	D	36.8	Very low	38.5	Very low	114 Å²	114	143.3 Å²	143.3	61%	0.61	69%	0.689	S	S	*	*				67.7	158.2	115.7	-43.6	-19.7	0	0	0	123.1
727	D	41.6	Very low	38.7	Very low	149 Å²	149	144.5 Å²	144.5	80%	0.797	69%	0.689	S	S	*	*			trans	81.1	115.1	162	-57.6	-20.6	0	0	0	122.1
728	D	38.8	Very low	38.8	Very low	148 Å²	148	143.9 Å²	143.9	79%	0.791	69%	0.686	S	S	*	*			trans	77.7	101.4	133	-81.5	-7.4	0	0	0	125
729	D	40.6	Very low	38.9	Very low	106 Å²	106	142.6 Å²	142.6	57%	0.567	68%	0.681	S	S	*	*				98.9	122.4	96.8	-158.4	39.4	0	0	0	122.8
730	K	41.7	Very low	38.9	Very low	147 Å²	147	139.9 Å²	139.9	64%	0.639	67%	0.674	S	S	*	*			trans	80.7	140.8	141.3	-104.1	172.6	-146.3	72.8	0	123.8
731	K	39.8	Very low	38.9	Very low	169 Å²	169	140.1 Å²	140.1	74%	0.735	68%	0.676	S	S	*	*			trans	80.3	143.5	149.3	-66.8	166.9	174.1	169.9	0	117.1
732	K	40.3	Very low	39.1	Very low	147 Å²	147	137.8 Å²	137.8	64%	0.639	67%	0.665	S	S	*	*			cis	-166.9	163.7	-2.3	-124.8	176.2	152.3	-72.5	0	113
733	D	41.6	Very low	39	Very low	108 Å²	108	139.3 Å²	139.3	58%	0.578	67%	0.666	S	S	*	*			trans	67.5	143.6	144	-64.2	-9.7	0	0	0	120.5
734	D	41.9	Very low	38.8	Very low	121 Å²	121	140.3 Å²	140.3	65%	0.647	67%	0.67	S	S	*	*			cis	-162.6	163.8	-11.2	-133.3	-23.5	0	0	0	116
735	N	39.6	Very low	38.8	Very low	115 Å²	115	139 Å²	139	62%	0.615	66%	0.664	S	S	*	*			trans	71.3	126.7	146.6	-79.6	-55.1	0	0	0	126.3
736	D	40.3	Very low	38.7	Very low	113 Å²	113	137.1 Å²	137.1	60%	0.604	66%	0.662	S	S	*	*			trans	79.7	140.5	131.4	-87.3	-6.3	0	0	0	123.5
737	K	39.5	Very low	38.8	Very low	141 Å²	141	139.6 Å²	139.6	61%	0.613	68%	0.675	S	S	*	*			cis	-165.1	125	-5.7	-147.5	170	-156.2	79.6	0	113.9
738	K	39.8	Very low	38.4	Very low	171 Å²	171	139.1 Å²	139.1	74%	0.743	67%	0.668	S	S	*	*			trans	62.1	158.2	141.6	-72.2	-173.7	177.6	-178.4	0	120.2
739	K	39.1	Very low	38.1	Very low	143 Å²	143	139.1 Å²	139.1	62%	0.622	66%	0.661	S	S	*	*			cis	-161.4	155.8	2.1	-126.2	-173.1	164.9	-70.9	0	112.7
740	D	38.5	Very low	37.8	Very low	112 Å²	112	143 Å²	143	60%	0.599	67%	0.673	S	S	*	*			trans	52.9	164.6	146.3	-56.9	-8.9	0	0	0	123.7
741	D	36.4	Very low	37.5	Very low	134 Å²	134	144 Å²	144	72%	0.717	68%	0.678	S	S	*	*				-170.6	160.3	-57.9	-123.7	-39.5	0	0	0	113.4
742	E	35.6	Very low	37.3	Very low	132 Å²	132	141 Å²	141	62%	0.617	67%	0.669	S	S	*	*			trans	53.2	142.9	146.6	-73.8	-148.6	103.7	0	0	127.4
743	K	36.2	Very low	37.3	Very low	147 Å²	147	141.4 Å²	141.4	64%	0.639	68%	0.678	S	S	*	*			trans	100.9	100.2	130.6	-91.9	171.7	173.4	78.3	0	123.3
744	K	34.5	Very low	37	Very low	180 Å²	180	142 Å²	142	78%	0.783	68%	0.681	S	S	*	*				56.4	118.5	115.9	-73.5	-170.5	178.7	-174.8	0	122.5
745	K	35.5	Very low	37	Very low	163 Å²	163	142.2 Å²	142.2	71%	0.709	68%	0.683	S	S	*	*				52.3	135.9	115.3	-87	-179.7	152.5	-79.2	0	122.2
746	D	34.3	Very low	36.8	Very low	119 Å²	119	142.7 Å²	142.7	64%	0.636	68%	0.679	S	S	*	*			trans	47.2	118.9	138.9	-40	-25.3	0	0	0	120.3
747	D	38.1	Very low	36.8	Very low	167 Å²	167	149.3 Å²	149.3	89%	0.893	70%	0.696	S	S	*	*				-161.5	174.4	123	-130.6	-35.6	0	0	0	114
748	E	33.4	Very low	36.8	Very low	138 Å²	138	150.7 Å²	150.7	65%	0.645	70%	0.702	S	S	*	*			trans	-97.4	163.8	-160.3	-71	-151.2	106.1	0	0	119.3
749	K	33.7	Very low	36.9	Very low	148 Å²	148	149.5 Å²	149.5	64%	0.643	70%	0.704	S	S	*	*			trans	56.1	123.6	140.5	-77.5	175.6	179.6	85	0	121.4
750	K	33.7	Very low	36.9	Very low	188 Å²	188	148.7 Å²	148.7	82%	0.817	71%	0.706	S	S	*	*			trans	45.3	125.4	132	-58.5	-173.7	175.7	-170.3	0	119.5
751	K	35.5	Very low	37.1	Very low	169 Å²	169	149.5 Å²	149.5	74%	0.735	71%	0.711	S	S	*	*				-170.3	148.9	89.2	-98	179.2	158.4	-80.9	0	111.9
752	D	35	Very low	37.2	Very low	105 Å²	105	150.5 Å²	150.5	56%	0.561	71%	0.709	S	S	*	*				30.9	134.7	128.7	-31.9	-19.2	0	0	0	117.2
753	D	41.2	Very low	37.3	Very low	155 Å²	155	152.4 Å²	152.4	83%	0.829	72%	0.715	S	S	*	*				-159.5	178.3	54.1	-100.7	-45.4	0	0	0	115.4
754	D	35.2	Very low	37.5	Very low	120 Å²	120	153.1 Å²	153.1	64%	0.642	72%	0.718	S	S	*	*			trans	-34.2	164.4	165.3	-98.1	-49.4	0	0	0	116.7	K756	D754-K756 IonicContact OD1-NZ 2.67Å; D754-K756 PolarHBondContact OD1-NZ 3.48Å; D754-K756 IonicContact OD2-NZ 3.8Å; D754-K756 PolarHBondContact OD2-NZ 3.44Å
755	D	42	Very low	37.6	Very low	126 Å²	126	150 Å²	150	67%	0.674	71%	0.71	S	S	*	*			cis	-158.6	115.4	38.8	-145.7	0.3	0	0	0	115
756	K	35.5	Very low	37.6	Very low	125 Å²	125	149.8 Å²	149.8	54%	0.543	72%	0.716	S	S	.	*				29	117.1	124.4	-161.2	-179.2	-62.3	92.6	0	119.1	D754	D754-K756 IonicContact OD1-NZ 2.67Å; D754-K756 PolarHBondContact OD1-NZ 3.48Å; D754-K756 IonicContact OD2-NZ 3.8Å; D754-K756 PolarHBondContact OD2-NZ 3.44Å
757	R	41.1	Very low	37.8	Very low	253 Å²	253	150 Å²	150	96%	0.955	72%	0.718	S	S	*	*			trans	-131.7	143.4	136.6	-81.5	-162.9	174.2	-174.3	-2.5	111.5
758	K	38.1	Very low	38	Very low	170 Å²	170	150.2 Å²	150.2	74%	0.739	71%	0.71	S	S	*	*			trans	-109.6	-167.1	-177.1	-70	-179.6	174.6	-176.9	0	109.6
759	D	42.3	Very low	38	Very low	146 Å²	146	152.6 Å²	152.6	78%	0.781	72%	0.719	S	S	*	*			trans	110.7	132.1	149.2	-54.2	-14.8	0	0	0	113.6
760	D	39.9	Very low	38	Very low	126 Å²	126	152.4 Å²	152.4	67%	0.674	72%	0.718	S	S	*	*			cis	-160.7	-168.6	-24.6	-152.6	-23.8	0	0	0	107.5
761	D	42.1	Very low	38.5	Very low	129 Å²	129	151 Å²	151	69%	0.69	72%	0.72	S	S	*	*			trans	71.1	115.7	169.5	-76.3	-40.5	0	0	0	118.5
762	K	38.1	Very low	38.7	Very low	155 Å²	155	148.4 Å²	148.4	67%	0.674	71%	0.713	S	S	*	*			cis	90.8	96	14.7	-163.4	-164.3	-155.3	158	0	115.1
763	K	39.3	Very low	38.6	Very low	171 Å²	171	152 Å²	152	74%	0.743	73%	0.727	S	S	*	*				163.3	130.3	127.9	-92	160.8	-176.7	163.5	0	113.9
764	K	38.7	Very low	38.5	Very low	162 Å²	162	151.8 Å²	151.8	70%	0.704	73%	0.726	S	S	*	*				63.9	161.4	130	-60.4	-177.4	152.4	-75.1	0	120.1
765	D	37.1	Very low	38.5	Very low	116 Å²	116	155.4 Å²	155.4	62%	0.62	74%	0.736	S	S	*	*			cis	-164.9	172.5	-31.8	-91.3	-14.6	0	0	0	105.7
766	D	36.3	Very low	38.2	Very low	157 Å²	157	159 Å²	159	84%	0.84	75%	0.745	S	S	*	*			trans	-34.3	139.3	175.3	-47.4	-66.1	0	0	0	117.7
767	D	38.6	Very low	38.2	Very low	125 Å²	125	162 Å²	162	67%	0.668	76%	0.759	S	S	*	*				-170.3	158.8	111.6	-150	-3.8	0	0	0	113.6
768	K	40.6	Very low	38	Very low	170 Å²	170	157.2 Å²	157.2	74%	0.739	75%	0.752	S	S	*	*			trans	55.2	130	164.1	-70.3	152.6	-176	121.5	0	120.1
769	K	34.5	Very low	37.8	Very low	189 Å²	189	156.7 Å²	156.7	82%	0.822	76%	0.757	S	S	*	*			cis	88.2	109.1	16.1	-161.8	179.8	-178.9	176.2	0	116.6
770	K	34.4	Very low	37.4	Very low	143 Å²	143	156.9 Å²	156.9	62%	0.622	76%	0.758	S	S	*	*			trans	67.7	120.5	171.5	-69.5	179.4	105	-70	0	117	D772	K770-D772 IonicContact NZ-OD1 2.6Å; K770-D772 PolarHBondContact NZ-OD1 2.6Å; K770-D772 IonicContact NZ-OD2 2.63Å; K770-D772 PolarHBondContact NZ-OD2 2.77Å
771	D	42.5	Very low	37.3	Very low	160 Å²	160	159 Å²	159	86%	0.856	77%	0.769	S	S	*	*				-164.8	158.5	121.8	-88.9	-20.8	0	0	0	108
772	D	40.8	Very low	36.9	Very low	113 Å²	113	161.4 Å²	161.4	60%	0.604	77%	0.774	S	S	*	*				-145.2	-173.5	-76.2	-115	12.8	0	0	0	109.7	K770	K770-D772 IonicContact NZ-OD1 2.6Å; K770-D772 PolarHBondContact NZ-OD1 2.6Å; K770-D772 IonicContact NZ-OD2 2.63Å; K770-D772 PolarHBondContact NZ-OD2 2.77Å
773	E	32.5	Very low	36.5	Very low	182 Å²	182	162.2 Å²	162.2	85%	0.85	78%	0.777	S	S	*	*			trans	-79.1	124.7	-170.2	-55.4	174.9	105.7	0	0	113.5
774	D	39.3	Very low	36.2	Very low	150 Å²	150	163.3 Å²	163.3	80%	0.802	78%	0.782	S	S	*	*			trans	-162.2	92.8	139.5	-138.6	-17.7	0	0	0	116.5
775	K	35	Very low	35.9	Very low	195 Å²	195	163.6 Å²	163.6	85%	0.848	79%	0.791	S	S	*	*				179.6	104.1	113.2	-101.6	-175.4	176.9	-178.8	0	111.2
776	K	34.6	Very low	35.8	Very low	201 Å²	201	164.7 Å²	164.7	87%	0.874	80%	0.797	S	S	*	*			trans	-134.7	65.5	179.7	-166	177.9	-178.3	178.4	0	111
777	K	36.8	Very low	35.5	Very low	190 Å²	190	164.6 Å²	164.6	83%	0.826	80%	0.796	S	S	*	*			trans	-159.1	134	169.7	-92.7	159.1	-172.6	174.4	0	104.8
778	D	37.6	Very low	35.3	Very low	151 Å²	151	168.9 Å²	168.9	81%	0.807	81%	0.809	S	S	*	*			cis	-115.3	146.3	16.1	-60.7	-59	0	0	0	114.1
779	N	32.9	Very low	34.9	Very low	159 Å²	159	169.4 Å²	169.4	85%	0.85	81%	0.812	S	S	*	*			trans	-113.8	92.6	158.1	-104.9	-32.5	0	0	0	105.2
780	D	34.8	Very low	34.8	Very low	150 Å²	150	168.9 Å²	168.9	80%	0.802	81%	0.809	S	S	*	*			trans	-179.1	88.4	150.6	-93.8	-24.2	0	0	0	109.6
781	D	37.4	Very low	34.8	Very low	170 Å²	170	168.8 Å²	168.8	91%	0.909	82%	0.815	S	S	*	*				-146.7	111.6	115	-145.7	-30.4	0	0	0	109.6
782	K	32.9	Very low	34.5	Very low	180 Å²	180	169.7 Å²	169.7	78%	0.783	82%	0.82	S	S	*	*			trans	-127.3	98.1	-163.1	-169.6	174.6	-176.3	173.5	0	111.4
783	K	30.7	Very low	34.3	Very low	173 Å²	173	169.9 Å²	169.9	75%	0.752	82%	0.821	S	S	*	*			trans	68.3	87.8	151.3	-172.5	-173.7	178.8	174.2	0	115.3
784	K	31.6	Very low	34.6	Very low	193 Å²	193	169 Å²	169	84%	0.839	82%	0.822	S	S	*	*			trans	-163.4	117.5	142.1	-103.3	154.9	-174.9	177.9	0	110.1
785	D	33.9	Very low	34.6	Very low	168 Å²	168	168.6 Å²	168.6	90%	0.898	81%	0.813	S	S	*	*				-173.7	55.4	125.6	-91.8	-8	0	0	0	109
786	D	33.3	Very low	34.7	Very low	140 Å²	140	167.9 Å²	167.9	75%	0.749	81%	0.81	S	S	*	*			trans	-82.2	128.6	164.5	-72.7	-56	0	0	0	109.1
787	D	31.6	Very low	34.8	Very low	154 Å²	154	166.7 Å²	166.7	82%	0.824	81%	0.805	S	S	*	*			trans	13.4	112.1	161.7	-93.9	-56.9	0	0	0	118.8
788	K	34.3	Very low	35.1	Very low	215 Å²	215	163 Å²	163	94%	0.935	80%	0.795	S	S	*	*			trans	-142.5	108.2	142.3	-140.2	165.6	-168.8	175.5	0	115.5
789	K	31.6	Very low	35.5	Very low	182 Å²	182	161.8 Å²	161.8	79%	0.791	79%	0.788	S	S	*	*			trans	-87.3	149.5	179.7	-168.4	174.7	-174.2	168.2	0	111.6
790	K	32.5	Very low	36	Very low	178 Å²	178	161.4 Å²	161.4	77%	0.774	79%	0.786	S	S	*	*			trans	97.3	108.7	167.2	-60.4	-165.2	173.5	-169.7	0	119.1
791	N	33.6	Very low	36.6	Very low	140 Å²	140	161.4 Å²	161.4	75%	0.749	79%	0.786	S	S	*	*				57.3	108.8	128.9	-56.2	31.4	0	0	0	120.2
792	D	37.6	Very low	36.9	Very low	179 Å²	179	158.2 Å²	158.2	96%	0.957	77%	0.774	S	S	*	*				-117	117.1	126.4	-86	-53	0	0	0	107.9
793	D	35.6	Very low	37.8	Very low	117 Å²	117	155.8 Å²	155.8	63%	0.626	78%	0.777	S	S	*	*			trans	-143.5	93.8	172.9	171.8	18.9	0	0	0	108.2	K795	D793-K795 PolarHBondContact OD1-N 2.75Å
794	D	39.7	Very low	38.3	Very low	163 Å²	163	151.4 Å²	151.4	87%	0.872	77%	0.769	S	S	*	*			trans	-121.7	54.3	175	-138.4	-12.8	0	0	0	111.2
795	K	39.1	Very low	38.9	Very low	142 Å²	142	150.3 Å²	150.3	62%	0.617	76%	0.764	S	S	*	*				50.4	146.7	108.9	-156.2	168.5	-155.2	133.6	0	119	D793	D793-K795 PolarHBondContact OD1-N 2.75Å
796	K	35.9	Very low	40.1	Very low	180 Å²	180	148.8 Å²	148.8	78%	0.783	76%	0.763	S	S	*	*			trans	74.4	128.9	164.5	-94.6	162.7	-175.1	168.6	0	114.2
797	K	37.2	Very low	40.9	Very low	176 Å²	176	148 Å²	148	77%	0.765	76%	0.763	S	S	*	*			cis	-154	159	37.1	-115.6	178.2	-174.5	178.8	0	114.7
798	N	43.9	Very low	41.2	Very low	114 Å²	114	147.4 Å²	147.4	61%	0.61	76%	0.759	S	S	*	*			trans	91.1	128.1	139.3	-87.9	48	0	0	0	121.9
799	D	45.8	Very low	41.7	Very low	125 Å²	125	147.2 Å²	147.2	67%	0.668	76%	0.758	S	S	*	*			trans	86.9	88.8	135.7	-50.2	-12.8	0	0	0	120.7
800	D	42.4	Very low	42.4	Very low	150 Å²	150	146.2 Å²	146.2	80%	0.802	75%	0.754	S	S	*	*				68.9	119.6	121.3	-74.1	-124.2	0	0	0	124.6
801	D	47.4	Very low	42.7	Very low	151 Å²	151	143.4 Å²	143.4	81%	0.807	76%	0.757	S	S	*	*			trans	83.9	136.6	136.3	-144	-118.4	0	0	0	121.1
802	P	44.3	Very low	43.3	Very low	102 Å²	102	142.8 Å²	142.8	66%	0.662	76%	0.762	S	S	*	*			trans	-109.4	141.7	-166.6	39.3	-30.5	0	0	0	115.9	S804	P802-S804 PolarHBondContact O-N 3.1Å
803	P	51	Low	43.3	Very low	130 Å²	130	145.8 Å²	145.8	84%	0.844	76%	0.762	S	S	*	*			trans	-90.9	109.4	174	32.8	-31.6	0	0	0	114.1
804	S	42.6	Very low	43.9	Very low	81 Å²	81	148.5 Å²	148.5	57%	0.566	80%	0.801	S	S	*	*			trans	-35.5	130.3	158.8	131.3	0	0	0	0	116.2	P802	P802-S804 PolarHBondContact O-N 3.1Å
805	K	44.5	Very low	44.1	Very low	170 Å²	170	147.8 Å²	147.8	74%	0.739	80%	0.797	S	S	*	*			trans	66.9	130	149.3	-53.3	160.9	-161.4	145.6	0	119.2
806	P	58.6	Low	44.3	Very low	136 Å²	136	148.1 Å²	148.1	88%	0.883	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-71.3	133.4	149.1	31.5	-31.1	0	0	0	110.1
807	V	49.9	Very low	44.8	Very low	124 Å²	124	146.3 Å²	146.3	75%	0.752	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-92.3	161.4	179.9	-75.3	0	0	0	0	112.4	F809	V807-F809 PolarHBondContact O-N 3.31Å
808	L	38.7	Very low	45.3	Very low	141 Å²	141	144.6 Å²	144.6	74%	0.738	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-55.7	127.1	164.8	-83.7	75	0	0	0	109.7	K810	L808-K810 HydrophobicContact CD2-CD 4.31Å
809	F	45	Very low	45.3	Very low	210 Å²	210	146.5 Å²	146.5	92%	0.921	82%	0.823	S	S	*	*			trans	-90.1	102.6	155	-136.7	-92.2	0	0	0	108.7	V807	V807-F809 PolarHBondContact O-N 3.31Å
810	K	45	Very low	45.3	Very low	162 Å²	162	147.9 Å²	147.9	70%	0.704	83%	0.833	S	S	*	*			trans	-104.2	136.6	-179.8	-149	166.4	-169.3	169.6	0	109.1	L808 C812	L808-K810 HydrophobicContact CD2-CD 4.31Å; K810-C812 PolarHBondContact O-N 2.64Å
811	S	38.9	Very low	45.5	Very low	119 Å²	119	147.8 Å²	147.8	83%	0.832	84%	0.835	S	S	*	*			trans	-62.5	126.8	-178.8	53.2	0	0	0	0	112
812	C	45.5	Very low	45.4	Very low	126 Å²	126	147.5 Å²	147.5	85%	0.851	84%	0.838	S	S	*	*			trans	-123.5	125.8	164.8	-79.5	0	0	0	0	109.9	K810	K810-C812 PolarHBondContact O-N 2.64Å
813	Y	39.3	Very low	45.5	Very low	242 Å²	242	151.3 Å²	151.3	95%	0.949	85%	0.852	S	S	*	*			trans	-72.1	133.4	164.3	-107.4	-117.1	0	0	0	109.6
814	A	47	Very low	45	Very low	175 Å²	175	153.3 Å²	153.3	100%	1.446	85%	0.853	S	S	*	*			trans	-165.6	0	149	0	0	0	0	0	108.8

Retrieved 814 of 814 residues in 1358.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).