A0A3Q0KPW0_SCHMA Loading...

Putative fad NAD binding oxidoreductases

AlphaFold DB , UniProt , Accession A0A3Q0KPW0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 535 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.7	Low	66.3	Low	202 Å²	202	101.5 Å²	101.5	100%	0.995	51%	0.505	S	S	*	.				0	133.1	0	-167.3	162.9	78.6	0	0	108
2	V	61.8	Low	66.1	Low	76 Å²	76	98.5 Å²	98.5	46%	0.461	49%	0.486	S	S	.	.			trans	-84.2	128.4	178.2	-172.8	0	0	0	0	108.1	G4 C24 C79	V2-G4 WeakPolarHBondContact CG1-O 3.41Å; V2-C24 HydrophobicContact CG2-CB 3.9Å; V2-C79 CarbonylContact C-O 3.57Å; V2-C79 HydrophobicContact CG1-CB 4.1Å; V2-C79 VanDerWaalsContact CG1-O 3.32Å; V2-C79 WeakPolarHBondContact CG1-O 3.46Å
3	K	61.9	Low	66.2	Low	145 Å²	145	100.1 Å²	100.1	63%	0.63	49%	0.492	S	S	*	.			trans	-109.2	-31.9	-177.2	-65.4	174.2	178.7	-176.6	0	112.9	C79 D81	K3-C79 PolarHBondContact N-O 3.37Å; K3-D81 WeakPolarHBondContact CD-OD2 3.25Å; K3-D81 WeakPolarHBondContact CE-OD2 3.5Å; K3-D81 IonicContact NZ-OD2 3.21Å; K3-D81 PolarHBondContact NZ-OD2 3.49Å
4	G	60.6	Low	65.9	Low	24 Å²	24	101.5 Å²	101.5	25%	0.247	49%	0.494	C	S	.	.	S	Bend	trans	-108.8	147.6	-177.9	0	0	0	0	0	112.6	V2 C79	V2-G4 WeakPolarHBondContact CG1-O 3.41Å; G4-C79 PolarHBondContact N-O 3.08Å
5	K	64.2	Low	65.7	Low	157 Å²	157	104.6 Å²	104.6	68%	0.683	51%	0.514	S	S	*	.			trans	-61.9	152	167.6	-62.6	178.6	-175.8	175.3	0	109.6	C79 L286	K5-C79 PolarHBondContact O-SG 3.16Å; K5-C79 VanDerWaalsContact O-SG 3.41Å; K5-L286 PolarHBondContact NZ-O 2.91Å; K5-L286 VanDerWaalsContact NZ-O 3.17Å
6	F	67.5	Low	66.3	Low	59 Å²	59	99.2 Å²	99.2	26%	0.259	49%	0.489	S	S	.	.			trans	-72.9	131.9	167	-69.7	-130.6	0	0	0	107.4	Y9 A26	F6-Y9 HydrophobicContact CB-CD2 4.37Å; F6-Y9 HydrophobicContact CB-CE1 4.33Å; F6-Y9 HydrophobicContact CB-CE2 3.6Å; F6-Y9 HydrophobicContact CD1-CD1 4.03Å; F6-Y9 AromaticContact CD1-CE1 3.23Å; F6-Y9 HydrophobicContact CD1-CE1 3.23Å; F6-Y9 HydrophobicContact CD1-CE2 4.11Å; F6-Y9 AromaticContact CD1-CZ 3.29Å; F6-Y9 WeakPolarHBondContact CD1-OH 3.29Å; F6-Y9 AromaticContact CE1-CE1 3.58Å; F6-Y9 HydrophobicContact CE1-CE1 3.58Å; F6-Y9 AromaticContact CE1-CZ 3.92Å; F6-Y9 AromaticContact CG-CE1 4Å; F6-Y9 HydrophobicContact CG-CE1 4Å; F6-Y9 HydrophobicContact CG-CE2 4.11Å; F6-Y9 AromaticContact CG-CZ 3.54Å; F6-Y9 VanDerWaalsContact CG-OH 3.28Å; F6-Y9 WeakPolarHBondContact CG-OH 3.44Å; F6-A26 HydrophobicContact CD1-CB 4.28Å; F6-A26 VanDerWaalsContact CE1-CA 3.41Å; F6-A26 HydrophobicContact CE1-CB 4.11Å; F6-A26 HydrophobicContact CZ-CB 4.45Å
7	Q	67.3	Low	67.6	Low	166 Å²	166	96.2 Å²	96.2	78%	0.776	48%	0.475	S	S	*	.			trans	-96.6	-32	-177.5	-172.4	173.8	1.4	0	0	112.2	N54	Q7-N54 WeakPolarHBondContact CA-OD1 3.47Å; Q7-N54 WeakPolarHBondContact CB-OD1 3.32Å; Q7-N54 PolarHBondContact N-OD1 3.3Å
8	A	70.9	Confident	68.9	Low	35 Å²	35	91 Å²	91	29%	0.289	45%	0.45	S	S	.	.			trans	-137.6	145.2	172.8	0	0	0	0	0	110.8	V53 N54	A8-V53 HydrophobicContact CB-CB 4.17Å; A8-V53 HydrophobicContact CB-CG2 4.27Å; A8-N54 PolarHBondContact N-OD1 2.91Å; A8-N54 PolarHBondContact O-ND2 2.86Å
9	Y	76.6	Confident	70.3	Confident	143 Å²	143	86.5 Å²	86.5	56%	0.561	43%	0.427	S	S	*	.			trans	-120	137.4	161.8	-68.3	-90.4	0	0	0	107.3	F6	F6-Y9 HydrophobicContact CB-CD2 4.37Å; F6-Y9 HydrophobicContact CB-CE1 4.33Å; F6-Y9 HydrophobicContact CB-CE2 3.6Å; F6-Y9 HydrophobicContact CD1-CD1 4.03Å; F6-Y9 AromaticContact CD1-CE1 3.23Å; F6-Y9 HydrophobicContact CD1-CE1 3.23Å; F6-Y9 HydrophobicContact CD1-CE2 4.11Å; F6-Y9 AromaticContact CD1-CZ 3.29Å; F6-Y9 WeakPolarHBondContact CD1-OH 3.29Å; F6-Y9 AromaticContact CE1-CE1 3.58Å; F6-Y9 HydrophobicContact CE1-CE1 3.58Å; F6-Y9 AromaticContact CE1-CZ 3.92Å; F6-Y9 AromaticContact CG-CE1 4Å; F6-Y9 HydrophobicContact CG-CE1 4Å; F6-Y9 HydrophobicContact CG-CE2 4.11Å; F6-Y9 AromaticContact CG-CZ 3.54Å; F6-Y9 VanDerWaalsContact CG-OH 3.28Å; F6-Y9 WeakPolarHBondContact CG-OH 3.44Å
10	F	78.1	Confident	71.5	Confident	31 Å²	31	82.2 Å²	82.2	14%	0.136	41%	0.406	C	S	.	.			trans	-73.9	144.9	167	-58.2	-58.1	0	0	0	109.3	T18 H27 A29 R30 V53	F10-T18 HydrophobicContact CB-CG2 4.29Å; F10-T18 HydrophobicContact CD2-CG2 4.14Å; F10-H27 HydrophobicContact CD2-CB 3.79Å; F10-H27 AromaticContact CD2-ND1 3.81Å; F10-H27 HydrophobicContact CE2-CB 4.02Å; F10-A29 VanDerWaalsContact CE2-C 3.43Å; F10-R30 HydrophobicContact CB-CG 4.22Å; F10-R30 HydrophobicContact CD1-CG 3.57Å; F10-R30 HydrophobicContact CD2-CB 4.41Å; F10-R30 HydrophobicContact CD2-CG 3.67Å; F10-R30 HydrophobicContact CE1-CG 3.73Å; F10-R30 HydrophobicContact CE2-CB 4.49Å; F10-R30 HydrophobicContact CE2-CG 3.84Å; F10-R30 HydrophobicContact CG-CG 3.54Å; F10-R30 HydrophobicContact CZ-CG 3.86Å; F10-V53 HydrophobicContact CE1-CG1 4.09Å; F10-V53 HydrophobicContact CE1-CG2 4.06Å; F10-V53 HydrophobicContact CE2-CG2 3.78Å; F10-V53 HydrophobicContact CZ-CB 4.31Å; F10-V53 HydrophobicContact CZ-CG1 3.94Å; F10-V53 HydrophobicContact CZ-CG2 3.38Å
11	P	69	Low	72.6	Confident	79 Å²	79	78.2 Å²	78.2	51%	0.513	39%	0.387	S	S	.	.			trans	-61.9	149.6	173.3	28.8	-35.6	0	0	0	110.6	E13	P11-E13 HydrophobicContact CB-CG 4.18Å; P11-E13 HydrophobicContact CG-CG 4.13Å; P11-E13 WeakPolarHBondContact CG-OE1 3.45Å; P11-E13 PolarHBondContact O-N 3.05Å
12	F	63.3	Low	74.7	Confident	65 Å²	65	72.1 Å²	72.1	29%	0.285	36%	0.358	S	S	.	.			trans	-84.6	83.8	170.8	-70.3	-75.8	0	0	0	108.8
13	E	67.4	Low	76.2	Confident	119 Å²	119	73.7 Å²	73.7	56%	0.556	36%	0.36	S	S	*	.			trans	-88.8	159.9	175.1	-70	174.6	-152.6	0	0	110.6	P11 N15 S16	P11-E13 HydrophobicContact CB-CG 4.18Å; P11-E13 HydrophobicContact CG-CG 4.13Å; P11-E13 WeakPolarHBondContact CG-OE1 3.45Å; P11-E13 PolarHBondContact O-N 3.05Å; E13-N15 PolarHBondContact O-N 3.09Å; E13-S16 PolarHBondContact N-OG 3.39Å; E13-S16 VanDerWaalsContact N-OG 3.17Å; E13-S16 PolarHBondContact O-N 3.25Å; E13-S16 VanDerWaalsContact O-N 3.15Å; E13-S16 PolarHBondContact O-OG 2.98Å
14	K	62.2	Low	77.7	Confident	120 Å²	120	67.5 Å²	67.5	52%	0.522	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	129	175	-111.5	161.2	-176.8	167.6	0	109	S16 Y122	K14-S16 PolarHBondContact O-N 3.12Å; K14-Y122 HydrophobicContact CD-CE2 3.81Å; K14-Y122 VanDerWaalsContact CE-CE2 3.44Å; K14-Y122 HydrophobicContact CG-CE2 3.71Å
15	N	63.3	Low	79.1	Confident	148 Å²	148	70.2 Å²	70.2	79%	0.791	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	10.9	-178.1	-58.1	46.2	0	0	0	115.4	E13 L17	E13-N15 PolarHBondContact O-N 3.09Å; N15-L17 PolarHBondContact O-N 2.53Å
16	S	75.8	Confident	80.5	Confident	18 Å²	18	62.8 Å²	62.8	13%	0.126	31%	0.305	C	S	.	.			trans	-70.2	92.2	176.6	69.6	0	0	0	0	111.3	E13 K14 S115	E13-S16 PolarHBondContact N-OG 3.39Å; E13-S16 VanDerWaalsContact N-OG 3.17Å; E13-S16 PolarHBondContact O-N 3.25Å; E13-S16 VanDerWaalsContact O-N 3.15Å; E13-S16 PolarHBondContact O-OG 2.98Å; K14-S16 PolarHBondContact O-N 3.12Å; S16-S115 WeakPolarHBondContact O-CB 3.19Å; S16-S115 PolarHBondContact O-OG 2.92Å
17	L	87.3	Confident	81.6	Confident	48 Å²	48	60.1 Å²	60.1	25%	0.251	29%	0.293	S	S	.	.			trans	-66.7	129.2	169.1	-63.1	178.1	0	0	0	108.6	N15 H31 N114	N15-L17 PolarHBondContact O-N 2.53Å; L17-H31 HydrophobicContact CB-CB 3.52Å; L17-H31 HydrophobicContact CD1-CB 4.48Å; L17-H31 WeakPolarHBondContact O-CB 3.26Å; L17-H31 PolarHBondContact O-N 2.69Å; L17-N114 HydrophobicContact CD2-CB 4.13Å
18	T	91.8	Very high	83	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	151.3	-178.7	52.1	0	0	0	0	111.6	F10 R30 D113	F10-T18 HydrophobicContact CB-CG2 4.29Å; F10-T18 HydrophobicContact CD2-CG2 4.14Å; T18-R30 HydrophobicContact CG2-CB 4.18Å; T18-D113 PolarHBondContact N-O 3.48Å; T18-D113 VanDerWaalsContact N-O 3.1Å; T18-D113 PolarHBondContact O-N 2.83Å; T18-D113 WeakPolarHBondContact OG1-CB 3.47Å
19	Y	94.8	Very high	84.1	Confident	5 Å²	5	50.6 Å²	50.6	2%	0.02	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.3	175.3	-67	-79.3	0	0	0	110.2	L28 A29 H31 Y47 F49 L110 F111 K112	Y19-L28 WeakPolarHBondContact O-CA 3.37Å; Y19-L28 PolarHBondContact O-N 3.27Å; Y19-A29 PolarHBondContact N-O 3.41Å; Y19-A29 PolarHBondContact O-N 2.94Å; Y19-H31 HydrophobicContact CE2-CB 4.21Å; Y19-H31 AromaticContact CE2-ND1 3.58Å; Y19-H31 AromaticContact CZ-ND1 3.75Å; Y19-H31 PolarHBondContact OH-ND1 2.74Å; Y19-H31 VanDerWaalsContact OH-ND1 3.12Å; Y19-Y47 HydrophobicContact CE1-CD2 4.38Å; Y19-Y47 HydrophobicContact CE1-CE2 4.29Å; Y19-F49 HydrophobicContact CD1-CZ 4.43Å; Y19-F49 AromaticContact CD2-CE1 3.45Å; Y19-F49 HydrophobicContact CD2-CE1 3.45Å; Y19-F49 VanDerWaalsContact CD2-CE1 3.45Å; Y19-F49 AromaticContact CD2-CZ 3.62Å; Y19-F49 HydrophobicContact CD2-CZ 3.62Å; Y19-F49 AromaticContact CE2-CE1 3.68Å; Y19-F49 HydrophobicContact CE2-CE1 3.68Å; Y19-F49 AromaticContact CE2-CZ 3.9Å; Y19-F49 HydrophobicContact CE2-CZ 3.9Å; Y19-F49 HydrophobicContact CG-CE1 4.19Å; Y19-F49 AromaticContact CG-CZ 3.91Å; Y19-F49 HydrophobicContact CG-CZ 3.91Å; Y19-L110 HydrophobicContact CD1-CD2 3.75Å; Y19-L110 HydrophobicContact CD1-CG 3.93Å; Y19-L110 HydrophobicContact CE1-CD2 4.38Å; Y19-L110 HydrophobicContact CG-CD2 4.21Å; Y19-L110 HydrophobicContact CG-CG 4.4Å; Y19-F111 CarbonylContact C-O 3.57Å; Y19-F111 WeakPolarHBondContact CA-O 3.46Å; Y19-K112 HydrophobicContact CD1-CB 4.22Å; Y19-K112 HydrophobicContact CD1-CG 4.24Å; Y19-K112 HydrophobicContact CE1-CB 4.03Å; Y19-K112 HydrophobicContact CE1-CD 4.26Å; Y19-K112 HydrophobicContact CE1-CG 3.74Å
20	S	94.5	Very high	84.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	151.2	-173.7	-63.7	0	0	0	0	111.7	L22 A26 F111 D113	S20-L22 PolarHBondContact O-N 3.24Å; S20-A26 CarbonylContact C-O 3.51Å; S20-A26 VanDerWaalsContact CA-O 3.29Å; S20-A26 WeakPolarHBondContact CA-O 3.39Å; S20-F111 PolarHBondContact N-O 3.27Å; S20-F111 PolarHBondContact O-N 2.76Å; S20-D113 WeakPolarHBondContact CB-OD2 3.29Å; S20-D113 PolarHBondContact OG-OD2 2.72Å
21	C	95.8	Very high	85.6	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	124.8	172.7	178.7	0	0	0	0	110.7	H23 C24 R25 A26 L28	C21-H23 VanDerWaalsContact C-N 3.26Å; C21-H23 PolarHBondContact O-N 3.28Å; C21-C24 PolarHBondContact O-N 2.9Å; C21-C24 VanDerWaalsContact SG-SG 3.68Å; C21-R25 VanDerWaalsContact O-CA 3.27Å; C21-R25 WeakPolarHBondContact O-CA 3.44Å; C21-R25 PolarHBondContact O-N 2.91Å; C21-A26 HydrophobicContact CB-CB 4.4Å; C21-A26 PolarHBondContact N-O 2.88Å; C21-L28 HydrophobicContact CB-CD1 3.86Å; C21-L28 HydrophobicContact CB-CD2 4.32Å; C21-L28 HydrophobicContact CB-CG 4.14Å
22	L	95	Very high	86.7	Confident	74 Å²	74	50.3 Å²	50.3	39%	0.387	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-37.7	-176.5	-175.6	62.8	0	0	0	113.1	S20 V108 H109 F111	S20-L22 PolarHBondContact O-N 3.24Å; L22-V108 VanDerWaalsContact CD2-O 3.25Å; L22-V108 WeakPolarHBondContact CD2-O 3.47Å; L22-H109 WeakPolarHBondContact CB-O 3.44Å; L22-H109 PolarHBondContact N-O 3.38Å; L22-F111 HydrophobicContact CD1-CB 4.26Å; L22-F111 HydrophobicContact CD1-CD2 4.3Å
23	H	93.4	Very high	88.1	Confident	109 Å²	109	47.9 Å²	47.9	51%	0.505	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-20.2	-171.9	-56.3	-83.2	0	0	0	115.4	C21 T82 H109	C21-H23 VanDerWaalsContact C-N 3.26Å; C21-H23 PolarHBondContact O-N 3.28Å; H23-T82 PolarHBondContact CD2-OG1 3.46Å; H23-H109 AromaticContact NE2-ND1 3.71Å
24	C	92.7	Very high	89.5	Confident	15 Å²	15	43.9 Å²	43.9	10%	0.101	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.2	-5.7	-174.8	66.6	0	0	0	0	115.3	V2 C21 A26 C80	V2-C24 HydrophobicContact CG2-CB 3.9Å; C21-C24 PolarHBondContact O-N 2.9Å; C21-C24 VanDerWaalsContact SG-SG 3.68Å; C24-A26 PolarHBondContact O-N 3.42Å; C24-A26 VanDerWaalsContact SG-CB 3.58Å; C24-C80 HydrophobicContact CB-CB 3.86Å
25	R	91.3	Very high	91.2	Very high	81 Å²	81	41.6 Å²	41.6	31%	0.306	21%	0.205	S	C	.	.			trans	58.4	21.6	-176.2	-50.5	-52.7	-174.1	112.7	-4.7	115.2	C21 H27 F111	C21-R25 VanDerWaalsContact O-CA 3.27Å; C21-R25 WeakPolarHBondContact O-CA 3.44Å; C21-R25 PolarHBondContact O-N 2.91Å; R25-H27 PolarHBondContact O-N 3.36Å; R25-F111 VanDerWaalsContact NH1-CZ 3.27Å
26	A	91.7	Very high	92.7	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.			trans	-60.6	125.9	163.6	0	0	0	0	0	110	F6 S20 C21 C24 L28 N54 C79	F6-A26 HydrophobicContact CD1-CB 4.28Å; F6-A26 VanDerWaalsContact CE1-CA 3.41Å; F6-A26 HydrophobicContact CE1-CB 4.11Å; F6-A26 HydrophobicContact CZ-CB 4.45Å; S20-A26 CarbonylContact C-O 3.51Å; S20-A26 VanDerWaalsContact CA-O 3.29Å; S20-A26 WeakPolarHBondContact CA-O 3.39Å; C21-A26 HydrophobicContact CB-CB 4.4Å; C21-A26 PolarHBondContact N-O 2.88Å; C24-A26 PolarHBondContact O-N 3.42Å; C24-A26 VanDerWaalsContact SG-CB 3.58Å; A26-L28 PolarHBondContact O-N 2.74Å; A26-N54 HydrophobicContact CB-CB 4.3Å; A26-C79 HydrophobicContact CB-CB 4.06Å
27	H	92.6	Very high	93.7	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.019	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	135.5	174.1	-67.2	-154.7	0	0	0	108.3	F10 R25 V53 N54	F10-H27 HydrophobicContact CD2-CB 3.79Å; F10-H27 AromaticContact CD2-ND1 3.81Å; F10-H27 HydrophobicContact CE2-CB 4.02Å; R25-H27 PolarHBondContact O-N 3.36Å; H27-V53 WeakPolarHBondContact O-CG2 3.38Å; H27-N54 PolarHBondContact O-ND2 2.97Å
28	L	95.1	Very high	94.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-45.4	-177.4	-64.4	177.6	0	0	0	111.9	Y19 C21 A26 A52 V53 V55 L84 I105 L110	Y19-L28 WeakPolarHBondContact O-CA 3.37Å; Y19-L28 PolarHBondContact O-N 3.27Å; C21-L28 HydrophobicContact CB-CD1 3.86Å; C21-L28 HydrophobicContact CB-CD2 4.32Å; C21-L28 HydrophobicContact CB-CG 4.14Å; A26-L28 PolarHBondContact O-N 2.74Å; L28-A52 CarbonylContact O-C 3.58Å; L28-A52 WeakPolarHBondContact O-CA 3.29Å; L28-V53 PolarHBondContact O-N 2.85Å; L28-V55 HydrophobicContact CD2-CG1 4.03Å; L28-L84 HydrophobicContact CD1-CD1 3.81Å; L28-L84 HydrophobicContact CD1-CD2 4.17Å; L28-L84 HydrophobicContact CD2-CD1 3.71Å; L28-L84 HydrophobicContact CG-CD1 4.43Å; L28-I105 HydrophobicContact CB-CD1 4.22Å; L28-I105 HydrophobicContact CD1-CD1 4.41Å; L28-L110 HydrophobicContact CD1-CD1 3.82Å
29	A	95.2	Very high	94.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	155.3	-179.2	0	0	0	0	0	114.4	F10 Y19 F49	F10-A29 VanDerWaalsContact CE2-C 3.43Å; Y19-A29 PolarHBondContact N-O 3.41Å; Y19-A29 PolarHBondContact O-N 2.94Å; A29-F49 HydrophobicContact CB-CB 4.44Å; A29-F49 HydrophobicContact CB-CD1 3.49Å; A29-F49 VanDerWaalsContact CB-CD1 3.49Å; A29-F49 HydrophobicContact CB-CD2 4.5Å; A29-F49 HydrophobicContact CB-CE1 3.75Å; A29-F49 HydrophobicContact CB-CG 3.9Å; A29-F49 HydrophobicContact CB-CZ 4.35Å
30	R	92.4	Very high	94.4	Very high	85 Å²	85	47.1 Å²	47.1	32%	0.321	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	152.5	157.1	51.9	95.9	-81.7	162	8	111.8	F10 T18 D32 D33	F10-R30 HydrophobicContact CB-CG 4.22Å; F10-R30 HydrophobicContact CD1-CG 3.57Å; F10-R30 HydrophobicContact CD2-CB 4.41Å; F10-R30 HydrophobicContact CD2-CG 3.67Å; F10-R30 HydrophobicContact CE1-CG 3.73Å; F10-R30 HydrophobicContact CE2-CB 4.49Å; F10-R30 HydrophobicContact CE2-CG 3.84Å; F10-R30 HydrophobicContact CG-CG 3.54Å; F10-R30 HydrophobicContact CZ-CG 3.86Å; T18-R30 HydrophobicContact CG2-CB 4.18Å; R30-D32 IonicContact CZ-OD2 2.85Å; R30-D32 IonicContact NE-OD2 3.83Å; R30-D32 IonicContact NH1-OD2 3.7Å; R30-D32 PolarHBondContact NH1-OD2 3.03Å; R30-D32 IonicContact NH2-OD2 3.99Å; R30-D33 VanDerWaalsContact CA-OD2 3.25Å; R30-D33 WeakPolarHBondContact CA-OD2 3.48Å; R30-D33 IonicContact CZ-OD1 3.37Å; R30-D33 IonicContact CZ-OD2 2.68Å; R30-D33 PolarHBondContact N-OD2 3Å; R30-D33 VanDerWaalsContact N-OD2 3.15Å; R30-D33 IonicContact NE-OD1 2.78Å; R30-D33 IonicContact NE-OD2 2.72Å; R30-D33 PolarHBondContact NE-OD2 2.68Å; R30-D33 VanDerWaalsContact NH2-CG 3.27Å; R30-D33 IonicContact NH2-OD1 3.16Å; R30-D33 PolarHBondContact NH2-OD1 3.41Å; R30-D33 IonicContact NH2-OD2 2.76Å; R30-D33 PolarHBondContact NH2-OD2 2.65Å; R30-D33 VanDerWaalsContact NH2-OD2 3.16Å
31	H	92.4	Very high	94.3	Very high	55 Å²	55	47.8 Å²	47.8	26%	0.255	24%	0.242	S	C	.	.	S	Bend	trans	-73.8	-35.1	152.8	-171.4	74.1	0	0	0	111	L17 Y19 D33 L34	L17-H31 HydrophobicContact CB-CB 3.52Å; L17-H31 HydrophobicContact CD1-CB 4.48Å; L17-H31 WeakPolarHBondContact O-CB 3.26Å; L17-H31 PolarHBondContact O-N 2.69Å; Y19-H31 HydrophobicContact CE2-CB 4.21Å; Y19-H31 AromaticContact CE2-ND1 3.58Å; Y19-H31 AromaticContact CZ-ND1 3.75Å; Y19-H31 PolarHBondContact OH-ND1 2.74Å; Y19-H31 VanDerWaalsContact OH-ND1 3.12Å; H31-D33 PolarHBondContact O-N 2.97Å; H31-D33 VanDerWaalsContact O-N 3.14Å; H31-L34 WeakPolarHBondContact O-CB 3.46Å; H31-L34 PolarHBondContact O-N 2.74Å
32	D	92.1	Very high	94.1	Very high	108 Å²	108	52.4 Å²	52.4	58%	0.578	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.6	172	5.8	-47.4	0	0	0	113.3	R30	R30-D32 IonicContact CZ-OD2 2.85Å; R30-D32 IonicContact NE-OD2 3.83Å; R30-D32 IonicContact NH1-OD2 3.7Å; R30-D32 PolarHBondContact NH1-OD2 3.03Å; R30-D32 IonicContact NH2-OD2 3.99Å
33	D	94.5	Very high	94	Very high	14 Å²	14	54 Å²	54	8%	0.075	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-3.3	170.2	-61.1	-58	0	0	0	113	R30 H31 F49 N50	R30-D33 VanDerWaalsContact CA-OD2 3.25Å; R30-D33 WeakPolarHBondContact CA-OD2 3.48Å; R30-D33 IonicContact CZ-OD1 3.37Å; R30-D33 IonicContact CZ-OD2 2.68Å; R30-D33 PolarHBondContact N-OD2 3Å; R30-D33 VanDerWaalsContact N-OD2 3.15Å; R30-D33 IonicContact NE-OD1 2.78Å; R30-D33 IonicContact NE-OD2 2.72Å; R30-D33 PolarHBondContact NE-OD2 2.68Å; R30-D33 VanDerWaalsContact NH2-CG 3.27Å; R30-D33 IonicContact NH2-OD1 3.16Å; R30-D33 PolarHBondContact NH2-OD1 3.41Å; R30-D33 IonicContact NH2-OD2 2.76Å; R30-D33 PolarHBondContact NH2-OD2 2.65Å; R30-D33 VanDerWaalsContact NH2-OD2 3.16Å; H31-D33 PolarHBondContact O-N 2.97Å; H31-D33 VanDerWaalsContact O-N 3.14Å; D33-F49 CarbonylContact O-C 3.54Å; D33-F49 VanDerWaalsContact O-CA 3.23Å; D33-F49 WeakPolarHBondContact O-CA 3.45Å; D33-N50 HydrophobicContact CB-CB 4.29Å; D33-N50 PolarHBondContact O-N 3.12Å
34	L	96.3	Very high	94.1	Very high	35 Å²	35	50 Å²	50	18%	0.183	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	124.9	178.6	-179.4	64.7	0	0	0	110.6	H31 K37 Y47 F49	H31-L34 WeakPolarHBondContact O-CB 3.46Å; H31-L34 PolarHBondContact O-N 2.74Å; L34-K37 HydrophobicContact CD2-CG 4.15Å; L34-Y47 HydrophobicContact CD1-CD2 4.02Å; L34-Y47 HydrophobicContact CD1-CG 4.02Å; L34-F49 HydrophobicContact CB-CD1 4.18Å; L34-F49 HydrophobicContact CB-CE1 3.95Å; L34-F49 HydrophobicContact CD1-CD1 4.19Å; L34-F49 HydrophobicContact CD1-CE1 3.74Å; L34-F49 HydrophobicContact CD1-CZ 3.94Å; L34-F49 HydrophobicContact CG-CE1 4.42Å
35	I	96.7	Very high	94.3	Very high	71 Å²	71	53.1 Å²	53.1	36%	0.364	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-36.4	-178.1	-68.4	175.9	0	0	0	111.9	L48 N50 K102	I35-L48 HydrophobicContact CB-CD2 4.33Å; I35-L48 HydrophobicContact CB-CG 4.46Å; I35-L48 HydrophobicContact CG2-CD2 3.96Å; I35-L48 PolarHBondContact N-O 3.38Å; I35-N50 HydrophobicContact CD1-CB 3.61Å; I35-N50 HydrophobicContact CG1-CB 4.2Å; I35-K102 HydrophobicContact CD1-CD 3.51Å; I35-K102 HydrophobicContact CD1-CG 4.26Å
36	S	96.5	Very high	94.6	Very high	31 Å²	31	49.3 Å²	49.3	22%	0.217	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	142.4	174.3	176.3	0	0	0	0	112.8	S38 L48	S36-S38 PolarHBondContact OG-N 3.21Å; S36-S38 PolarHBondContact OG-OG 2.86Å; S36-L48 PolarHBondContact N-O 2.92Å; S36-L48 PolarHBondContact O-N 2.9Å
37	K	96.6	Very high	94.9	Very high	70 Å²	70	49.7 Å²	49.7	30%	0.304	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-8.3	170.4	-58.9	-177.1	-168.4	174.4	0	113.9	L34 F39 Y47 D423	L34-K37 HydrophobicContact CD2-CG 4.15Å; K37-F39 VanDerWaalsContact C-N 3.32Å; K37-F39 PolarHBondContact O-N 2.95Å; K37-Y47 VanDerWaalsContact CA-CD1 3.44Å; K37-Y47 HydrophobicContact CB-CD1 3.86Å; K37-Y47 HydrophobicContact CB-CE1 3.52Å; K37-Y47 HydrophobicContact CD-CE1 4.35Å; K37-Y47 HydrophobicContact CG-CD1 4.14Å; K37-Y47 HydrophobicContact CG-CE1 3.75Å; K37-Y47 HydrophobicContact CG-CE2 4.44Å; K37-D423 IonicContact NZ-OD1 3.22Å; K37-D423 IonicContact NZ-OD2 2.77Å; K37-D423 PolarHBondContact NZ-OD2 2.95Å
38	S	95.3	Very high	95.2	Very high	102 Å²	102	49.5 Å²	49.5	71%	0.713	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	34.9	-167.4	76.8	0	0	0	0	114.3	S36	S36-S38 PolarHBondContact OG-N 3.21Å; S36-S38 PolarHBondContact OG-OG 2.86Å
39	F	96	Very high	95.3	Very high	29 Å²	29	49.5 Å²	49.5	13%	0.127	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	158.2	-178	-80.8	-97.7	0	0	0	111.9	K37 A46 L48 I104	K37-F39 VanDerWaalsContact C-N 3.32Å; K37-F39 PolarHBondContact O-N 2.95Å; F39-A46 CarbonylContact C-O 3.59Å; F39-A46 WeakPolarHBondContact CA-O 3.32Å; F39-A46 VanDerWaalsContact CB-O 3.27Å; F39-A46 WeakPolarHBondContact CB-O 3.5Å; F39-A46 PolarHBondContact N-O 3.25Å; F39-A46 PolarHBondContact O-N 3.06Å; F39-L48 HydrophobicContact CD2-CB 3.71Å; F39-L48 HydrophobicContact CE2-CB 3.78Å; F39-L48 HydrophobicContact CE2-CD2 3.73Å; F39-L48 HydrophobicContact CE2-CG 4.32Å; F39-L48 HydrophobicContact CG-CB 4.25Å; F39-L48 HydrophobicContact CZ-CB 4.36Å; F39-L48 HydrophobicContact CZ-CD2 3.77Å; F39-I104 HydrophobicContact CB-CD1 4.32Å; F39-I104 HydrophobicContact CD1-CD1 3.4Å; F39-I104 VanDerWaalsContact CD1-CD1 3.4Å; F39-I104 HydrophobicContact CD1-CG1 4.33Å; F39-I104 HydrophobicContact CE1-CD1 3.98Å; F39-I104 HydrophobicContact CG-CD1 4.1Å
40	Q	95.4	Very high	95.4	Very high	107 Å²	107	52.9 Å²	52.9	50%	0.5	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.4	-179.3	-168.8	74.7	-6.7	0	0	109	G44	Q40-G44 VanDerWaalsContact CD-C 3.48Å; Q40-G44 VanDerWaalsContact CD-O 3.25Å; Q40-G44 PolarHBondContact OE1-O 3.23Å
41	G	93.1	Very high	95.5	Very high	13 Å²	13	54.9 Å²	54.9	13%	0.134	30%	0.295	C	S	.	.			trans	-85.8	-171	170.8	0	0	0	0	0	112.5	G44 E106	G41-G44 WeakPolarHBondContact CA-O 3.27Å; G41-G44 PolarHBondContact N-O 3.03Å; G41-E106 WeakPolarHBondContact CA-OE1 3.09Å
42	S	91.9	Very high	95.7	Very high	98 Å²	98	53.3 Å²	53.3	69%	0.685	29%	0.292	S	S	*	.	S	Bend	trans	-71.5	-32.2	164.8	65.6	0	0	0	0	112.6	E106	S42-E106 WeakPolarHBondContact CA-OE1 3.46Å; S42-E106 WeakPolarHBondContact CB-OE1 3.08Å; S42-E106 PolarHBondContact N-OE1 3.34Å; S42-E106 PolarHBondContact OG-OE1 2.85Å
43	Q	93.5	Very high	95.8	Very high	106 Å²	106	50 Å²	50	50%	0.495	28%	0.276	S	S	.	.	S	Bend	trans	-105.2	26.8	-175.3	-66.4	174.6	88.2	0	0	113.8	E106 V108 H109	Q43-E106 PolarHBondContact N-OE1 2.97Å; Q43-E106 PolarHBondContact NE2-OE2 3.34Å; Q43-V108 HydrophobicContact CB-CG2 3.62Å; Q43-H109 PolarHBondContact NE2-CE1 3.02Å; Q43-H109 PolarHBondContact NE2-NE2 3.13Å
44	G	94.8	Very high	95.8	Very high	25 Å²	25	49.6 Å²	49.6	26%	0.258	27%	0.274	S	S	.	.	S	Bend	trans	109.8	-147	-179.2	0	0	0	0	0	112.8	Q40 G41	Q40-G44 VanDerWaalsContact CD-C 3.48Å; Q40-G44 VanDerWaalsContact CD-O 3.25Å; Q40-G44 PolarHBondContact OE1-O 3.23Å; G41-G44 WeakPolarHBondContact CA-O 3.27Å; G41-G44 PolarHBondContact N-O 3.03Å
45	R	96.9	Very high	95.8	Very high	82 Å²	82	49.4 Å²	49.4	31%	0.309	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	146.5	-177.5	-63.5	-169.5	-57.4	166.3	5.1	112	L107 F430	R45-L107 HydrophobicContact CB-CD2 4.17Å; R45-L107 PolarHBondContact O-N 3.43Å; R45-F430 VanDerWaalsContact NH1-CZ 3.33Å; R45-F430 VanDerWaalsContact NH2-CD2 3.29Å
46	A	97.7	Very high	95.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.7	177.4	0	0	0	0	0	111.1	F39 I104 I105 E106	F39-A46 CarbonylContact C-O 3.59Å; F39-A46 WeakPolarHBondContact CA-O 3.32Å; F39-A46 VanDerWaalsContact CB-O 3.27Å; F39-A46 WeakPolarHBondContact CB-O 3.5Å; F39-A46 PolarHBondContact N-O 3.25Å; F39-A46 PolarHBondContact O-N 3.06Å; A46-I104 HydrophobicContact CB-CG2 3.48Å; A46-I104 VanDerWaalsContact CB-CG2 3.48Å; A46-I105 CarbonylContact C-O 3.46Å; A46-I105 VanDerWaalsContact CA-O 3.29Å; A46-I105 WeakPolarHBondContact CA-O 3.49Å; A46-I105 WeakPolarHBondContact CB-O 3.32Å; A46-E106 HydrophobicContact CB-CG 4.46Å
47	Y	98	Very high	95.7	Very high	9 Å²	9	52.9 Å²	52.9	4%	0.035	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	141.4	178.4	-70.4	-9.2	0	0	0	110.8	Y19 L34 K37 F49 I104 I105 L107 L110 D427	Y19-Y47 HydrophobicContact CE1-CD2 4.38Å; Y19-Y47 HydrophobicContact CE1-CE2 4.29Å; L34-Y47 HydrophobicContact CD1-CD2 4.02Å; L34-Y47 HydrophobicContact CD1-CG 4.02Å; K37-Y47 VanDerWaalsContact CA-CD1 3.44Å; K37-Y47 HydrophobicContact CB-CD1 3.86Å; K37-Y47 HydrophobicContact CB-CE1 3.52Å; K37-Y47 HydrophobicContact CD-CE1 4.35Å; K37-Y47 HydrophobicContact CG-CD1 4.14Å; K37-Y47 HydrophobicContact CG-CE1 3.75Å; K37-Y47 HydrophobicContact CG-CE2 4.44Å; Y47-F49 HydrophobicContact CD2-CZ 4.27Å; Y47-I104 WeakPolarHBondContact O-CA 3.37Å; Y47-I105 PolarHBondContact N-O 3.23Å; Y47-I105 PolarHBondContact O-N 3.23Å; Y47-L107 HydrophobicContact CD1-CD1 3.5Å; Y47-L107 VanDerWaalsContact CD1-CD1 3.5Å; Y47-L107 HydrophobicContact CD2-CD1 3.97Å; Y47-L107 HydrophobicContact CE1-CD1 3.64Å; Y47-L107 HydrophobicContact CE1-CD2 4.01Å; Y47-L107 HydrophobicContact CE1-CG 4.38Å; Y47-L107 HydrophobicContact CE2-CD1 4.08Å; Y47-L107 HydrophobicContact CG-CD1 3.68Å; Y47-L110 HydrophobicContact CD2-CD2 4.39Å; Y47-D427 PolarHBondContact OH-OD1 3.15Å
48	L	98	Very high	95.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	122.9	174.8	-176.8	74.1	0	0	0	109.7	I35 S36 F39 Y88 Y98 K102 I104	I35-L48 HydrophobicContact CB-CD2 4.33Å; I35-L48 HydrophobicContact CB-CG 4.46Å; I35-L48 HydrophobicContact CG2-CD2 3.96Å; I35-L48 PolarHBondContact N-O 3.38Å; S36-L48 PolarHBondContact N-O 2.92Å; S36-L48 PolarHBondContact O-N 2.9Å; F39-L48 HydrophobicContact CD2-CB 3.71Å; F39-L48 HydrophobicContact CE2-CB 3.78Å; F39-L48 HydrophobicContact CE2-CD2 3.73Å; F39-L48 HydrophobicContact CE2-CG 4.32Å; F39-L48 HydrophobicContact CG-CB 4.25Å; F39-L48 HydrophobicContact CZ-CB 4.36Å; F39-L48 HydrophobicContact CZ-CD2 3.77Å; L48-Y88 HydrophobicContact CD1-CD2 4.48Å; L48-Y88 HydrophobicContact CD1-CE2 4.27Å; L48-Y98 HydrophobicContact CD2-CE2 4.46Å; L48-K102 HydrophobicContact CD1-CB 3.85Å; L48-K102 HydrophobicContact CD2-CD 4.36Å; L48-K102 HydrophobicContact CG-CB 4.36Å; L48-I104 HydrophobicContact CD1-CD1 4.38Å; L48-I104 HydrophobicContact CD1-CG1 3.62Å
49	F	98.1	Very high	95.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	148.6	177.3	-65.2	-84.4	0	0	0	111.9	Y19 A29 D33 L34 Y47 K102 V103 I105 L110	Y19-F49 HydrophobicContact CD1-CZ 4.43Å; Y19-F49 AromaticContact CD2-CE1 3.45Å; Y19-F49 HydrophobicContact CD2-CE1 3.45Å; Y19-F49 VanDerWaalsContact CD2-CE1 3.45Å; Y19-F49 AromaticContact CD2-CZ 3.62Å; Y19-F49 HydrophobicContact CD2-CZ 3.62Å; Y19-F49 AromaticContact CE2-CE1 3.68Å; Y19-F49 HydrophobicContact CE2-CE1 3.68Å; Y19-F49 AromaticContact CE2-CZ 3.9Å; Y19-F49 HydrophobicContact CE2-CZ 3.9Å; Y19-F49 HydrophobicContact CG-CE1 4.19Å; Y19-F49 AromaticContact CG-CZ 3.91Å; Y19-F49 HydrophobicContact CG-CZ 3.91Å; A29-F49 HydrophobicContact CB-CB 4.44Å; A29-F49 HydrophobicContact CB-CD1 3.49Å; A29-F49 VanDerWaalsContact CB-CD1 3.49Å; A29-F49 HydrophobicContact CB-CD2 4.5Å; A29-F49 HydrophobicContact CB-CE1 3.75Å; A29-F49 HydrophobicContact CB-CG 3.9Å; A29-F49 HydrophobicContact CB-CZ 4.35Å; D33-F49 CarbonylContact O-C 3.54Å; D33-F49 VanDerWaalsContact O-CA 3.23Å; D33-F49 WeakPolarHBondContact O-CA 3.45Å; L34-F49 HydrophobicContact CB-CD1 4.18Å; L34-F49 HydrophobicContact CB-CE1 3.95Å; L34-F49 HydrophobicContact CD1-CD1 4.19Å; L34-F49 HydrophobicContact CD1-CE1 3.74Å; L34-F49 HydrophobicContact CD1-CZ 3.94Å; L34-F49 HydrophobicContact CG-CE1 4.42Å; Y47-F49 HydrophobicContact CD2-CZ 4.27Å; F49-K102 WeakPolarHBondContact O-CB 3.41Å; F49-V103 PolarHBondContact N-O 3.34Å; F49-V103 PolarHBondContact O-N 2.85Å; F49-I105 HydrophobicContact CD2-CB 4.35Å; F49-I105 HydrophobicContact CD2-CD1 3.91Å; F49-I105 HydrophobicContact CD2-CG1 4.14Å; F49-I105 HydrophobicContact CE2-CB 4.19Å; F49-I105 HydrophobicContact CE2-CD1 4.12Å; F49-I105 HydrophobicContact CE2-CG1 4.39Å; F49-L110 HydrophobicContact CE2-CD2 4.04Å; F49-L110 HydrophobicContact CZ-CD2 4.07Å
50	N	97.3	Very high	95.9	Very high	70 Å²	70	54.3 Å²	54.3	37%	0.374	30%	0.298	S	S	.	.	S	Bend	trans	-63.5	-47.6	175.3	-164.8	38.5	0	0	0	111.4	D33 I35	D33-N50 HydrophobicContact CB-CB 4.29Å; D33-N50 PolarHBondContact O-N 3.12Å; I35-N50 HydrophobicContact CD1-CB 3.61Å; I35-N50 HydrophobicContact CG1-CB 4.2Å
51	Q	94.6	Very high	96	Very high	127 Å²	127	54.5 Å²	54.5	59%	0.593	30%	0.297	S	S	*	.			trans	-142.6	160	178.9	-59.6	-171.1	28.2	0	0	109.7
52	A	95.6	Very high	96.2	Very high	22 Å²	22	59.1 Å²	59.1	18%	0.182	32%	0.316	C	S	.	.			trans	-140.3	143.1	169.9	0	0	0	0	0	110.4	L28 V55 V103 I105	L28-A52 CarbonylContact O-C 3.58Å; L28-A52 WeakPolarHBondContact O-CA 3.29Å; A52-V55 HydrophobicContact CB-CG1 4.15Å; A52-V55 HydrophobicContact CB-CG2 4.15Å; A52-V103 HydrophobicContact CB-CB 4.34Å; A52-V103 HydrophobicContact CB-CG1 4.11Å; A52-V103 HydrophobicContact CB-CG2 4.24Å; A52-I105 HydrophobicContact CB-CD1 4.31Å
53	V	94.7	Very high	96.5	Very high	40 Å²	40	58.2 Å²	58.2	24%	0.242	30%	0.297	C	S	.	.	S	Bend	trans	-109	166.1	177.3	-55.8	0	0	0	0	110.7	A8 F10 H27 L28 V55	A8-V53 HydrophobicContact CB-CB 4.17Å; A8-V53 HydrophobicContact CB-CG2 4.27Å; F10-V53 HydrophobicContact CE1-CG1 4.09Å; F10-V53 HydrophobicContact CE1-CG2 4.06Å; F10-V53 HydrophobicContact CE2-CG2 3.78Å; F10-V53 HydrophobicContact CZ-CB 4.31Å; F10-V53 HydrophobicContact CZ-CG1 3.94Å; F10-V53 HydrophobicContact CZ-CG2 3.38Å; H27-V53 WeakPolarHBondContact O-CG2 3.38Å; L28-V53 PolarHBondContact O-N 2.85Å; V53-V55 PolarHBondContact O-N 2.91Å; V53-V55 VanDerWaalsContact O-N 3.15Å
54	N	94.6	Very high	96.6	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.027	31%	0.307	C	S	.	.	S	Bend	trans	53.6	31.5	-176.4	-56.3	-53	0	0	0	113.7	Q7 A8 A26 H27 A78	Q7-N54 WeakPolarHBondContact CA-OD1 3.47Å; Q7-N54 WeakPolarHBondContact CB-OD1 3.32Å; Q7-N54 PolarHBondContact N-OD1 3.3Å; A8-N54 PolarHBondContact N-OD1 2.91Å; A8-N54 PolarHBondContact O-ND2 2.86Å; A26-N54 HydrophobicContact CB-CB 4.3Å; H27-N54 PolarHBondContact O-ND2 2.97Å; N54-A78 VanDerWaalsContact O-CB 3.27Å; N54-A78 WeakPolarHBondContact O-CB 3.38Å; N54-A78 PolarHBondContact O-N 2.99Å
55	V	95.5	Very high	96.6	Very high	30 Å²	30	59.7 Å²	59.7	18%	0.182	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	147.4	174.9	-64.1	0	0	0	0	111.1	L28 A52 V53 I75 F76 L84	L28-V55 HydrophobicContact CD2-CG1 4.03Å; A52-V55 HydrophobicContact CB-CG1 4.15Å; A52-V55 HydrophobicContact CB-CG2 4.15Å; V53-V55 PolarHBondContact O-N 2.91Å; V53-V55 VanDerWaalsContact O-N 3.15Å; V55-I75 HydrophobicContact CG1-CD1 4.1Å; V55-F76 CarbonylContact C-O 3.49Å; V55-F76 WeakPolarHBondContact CA-O 3.45Å; V55-L84 HydrophobicContact CG1-CD1 3.87Å
56	R	95.6	Very high	96.4	Very high	109 Å²	109	64 Å²	64	41%	0.411	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.7	167.9	-54.2	-173.4	-49.2	-114.9	-0.4	108.3	I75 F76 A78 D81	R56-I75 WeakPolarHBondContact O-CA 3.21Å; R56-F76 PolarHBondContact N-O 3.35Å; R56-F76 PolarHBondContact O-N 3.23Å; R56-A78 HydrophobicContact CG-CB 3.78Å; R56-A78 PolarHBondContact NH1-O 3.44Å; R56-A78 VanDerWaalsContact NH1-O 3.09Å; R56-D81 IonicContact CZ-OD1 2.8Å; R56-D81 IonicContact NH1-OD1 3.69Å; R56-D81 PolarHBondContact NH1-OD1 3.08Å; R56-D81 IonicContact NH2-OD1 2.58Å; R56-D81 PolarHBondContact NH2-OD1 3.12Å
57	C	96.5	Very high	96.1	Very high	67 Å²	67	66.3 Å²	66.3	45%	0.453	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	140.3	175.1	-57.3	0	0	0	0	110	A73 D74	C57-A73 HydrophobicContact CB-CB 4.27Å; C57-D74 CarbonylContact C-O 3.58Å; C57-D74 WeakPolarHBondContact CA-O 3.17Å
58	A	97.2	Very high	96	Very high	43 Å²	43	67.3 Å²	67.3	36%	0.355	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	179.9	164.6	0	0	0	0	0	111.4	A73 D74 F76	A58-A73 WeakPolarHBondContact O-CB 3.42Å; A58-D74 HydrophobicContact CB-CB 4.25Å; A58-D74 PolarHBondContact N-O 2.88Å; A58-F76 HydrophobicContact CB-CE2 4.05Å
59	E	97.6	Very high	95.9	Very high	147 Å²	147	70 Å²	70	69%	0.687	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59	138.1	169.7	-175.8	-175.9	-148.4	0	0	111.5	K61	E59-K61 PolarHBondContact O-N 3.2Å
60	A	97.6	Very high	95.9	Very high	41 Å²	41	70 Å²	70	34%	0.339	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	121.1	-179.6	0	0	0	0	0	111.7	A73 E89	A60-A73 HydrophobicContact CB-CB 4.43Å; A60-E89 HydrophobicContact CB-CB 4.26Å; A60-E89 HydrophobicContact CB-CG 3.76Å
61	K	97.5	Very high	96	Very high	110 Å²	110	69.4 Å²	69.4	48%	0.478	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	145.4	-177.3	-67.2	176.3	-175.6	179.5	0	111	E59 V72	E59-K61 PolarHBondContact O-N 3.2Å; K61-V72 PolarHBondContact N-O 3.42Å; K61-V72 PolarHBondContact O-N 3.02Å
62	Q	97.6	Very high	96.1	Very high	111 Å²	111	63.4 Å²	63.4	52%	0.519	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	128.2	176.7	-171.1	176.3	-73.6	0	0	109.8	L69 H70 F71	Q62-L69 HydrophobicContact CG-CD1 3.72Å; Q62-L69 HydrophobicContact CG-CD2 4.31Å; Q62-L69 HydrophobicContact CG-CG 4.02Å; Q62-H70 CarbonylContact C-O 3.35Å; Q62-H70 WeakPolarHBondContact CA-O 3.4Å; Q62-F71 HydrophobicContact CB-CD1 4.16Å; Q62-F71 HydrophobicContact CB-CE1 3.85Å; Q62-F71 HydrophobicContact CB-CZ 4.25Å
63	R	96.7	Very high	96.2	Very high	79 Å²	79	62.4 Å²	62.4	30%	0.298	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.9	175.2	-64.1	-168.5	-177.5	141.4	3	111.1	L65 H70 V72 D74	R63-L65 HydrophobicContact CB-CD2 4.48Å; R63-H70 PolarHBondContact N-O 3.11Å; R63-H70 PolarHBondContact O-N 2.89Å; R63-V72 HydrophobicContact CB-CG2 4.15Å; R63-V72 HydrophobicContact CG-CG2 3.87Å; R63-D74 IonicContact CZ-OD1 3.24Å; R63-D74 VanDerWaalsContact CZ-OD1 3.24Å; R63-D74 IonicContact CZ-OD2 3.79Å; R63-D74 IonicContact NH1-OD1 2.69Å; R63-D74 PolarHBondContact NH1-OD1 3.44Å; R63-D74 IonicContact NH1-OD2 3.97Å; R63-D74 IonicContact NH2-OD1 3.57Å; R63-D74 PolarHBondContact NH2-OD1 2.79Å; R63-D74 IonicContact NH2-OD2 3.03Å; R63-D74 PolarHBondContact NH2-OD2 3.44Å
64	V	95.9	Very high	96.4	Very high	116 Å²	116	62.5 Å²	62.5	70%	0.703	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	129.3	163	-179.1	0	0	0	0	107.3	L69	V64-L69 HydrophobicContact CG2-CD1 3.72Å
65	L	94.9	Very high	96.5	Very high	45 Å²	45	62.3 Å²	62.3	24%	0.236	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	177.7	175.9	-60.6	174.8	0	0	0	108.7	R63 T67 G68 H70 V72 Y88	R63-L65 HydrophobicContact CB-CD2 4.48Å; L65-T67 PolarHBondContact O-N 3.1Å; L65-G68 PolarHBondContact N-O 3.18Å; L65-G68 PolarHBondContact O-N 3.18Å; L65-H70 HydrophobicContact CD1-CB 4.33Å; L65-V72 HydrophobicContact CD1-CG1 4.18Å; L65-Y88 HydrophobicContact CD1-CE1 3.75Å
66	L	92.5	Very high	96.6	Very high	173 Å²	173	64 Å²	64	91%	0.906	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-32.2	-177.3	-63.8	175.2	0	0	0	114.1
67	T	93.1	Very high	96.7	Very high	48 Å²	48	58.8 Å²	58.8	29%	0.294	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	36.8	176.9	66.6	0	0	0	0	112.3	L65 H70 Q96 K99	L65-T67 PolarHBondContact O-N 3.1Å; T67-H70 PolarHBondContact O-CE1 2.89Å; T67-H70 VanDerWaalsContact O-CE1 3.28Å; T67-H70 PolarHBondContact OG1-CE1 2.82Å; T67-H70 VanDerWaalsContact OG1-CE1 3.24Å; T67-Q96 PolarHBondContact OG1-OE1 2.96Å; T67-Q96 VanDerWaalsContact OG1-OE1 3.09Å; T67-K99 PolarHBondContact OG1-NZ 2.91Å
68	G	94.5	Very high	96.6	Very high	31 Å²	31	56.3 Å²	56.3	32%	0.32	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	84.1	-154.9	176.4	0	0	0	0	0	115.4	L65 H70	L65-G68 PolarHBondContact N-O 3.18Å; L65-G68 PolarHBondContact O-N 3.18Å; G68-H70 PolarHBondContact O-CE1 2.93Å; G68-H70 PolarHBondContact O-ND1 2.92Å
69	L	96.9	Very high	96.4	Very high	55 Å²	55	54.2 Å²	54.2	29%	0.288	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	133.8	-167.8	-162.3	70.7	0	0	0	112.7	Q62 V64 F92	Q62-L69 HydrophobicContact CG-CD1 3.72Å; Q62-L69 HydrophobicContact CG-CD2 4.31Å; Q62-L69 HydrophobicContact CG-CG 4.02Å; V64-L69 HydrophobicContact CG2-CD1 3.72Å; L69-F92 HydrophobicContact CB-CB 4.4Å; L69-F92 HydrophobicContact CB-CD2 3.95Å; L69-F92 HydrophobicContact CB-CE2 4.39Å; L69-F92 HydrophobicContact CB-CG 4.22Å; L69-F92 HydrophobicContact CD2-CD1 4.01Å; L69-F92 HydrophobicContact CD2-CD2 3.9Å; L69-F92 HydrophobicContact CD2-CE1 3.81Å; L69-F92 HydrophobicContact CD2-CE2 3.68Å; L69-F92 HydrophobicContact CD2-CG 4.04Å; L69-F92 HydrophobicContact CD2-CZ 3.61Å; L69-F92 HydrophobicContact CG-CD2 3.8Å; L69-F92 HydrophobicContact CG-CE2 3.72Å; L69-F92 HydrophobicContact CG-CG 4.31Å; L69-F92 HydrophobicContact CG-CZ 4.18Å; L69-F92 VanDerWaalsContact O-CD2 3.29Å; L69-F92 WeakPolarHBondContact O-CD2 3.49Å; L69-F92 PolarHBondContact O-N 3.11Å
70	H	98	Very high	96.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	155.9	179.1	-59.1	74.9	0	0	0	111.1	Q62 R63 L65 T67 G68 V72 Y88 R90	Q62-H70 CarbonylContact C-O 3.35Å; Q62-H70 WeakPolarHBondContact CA-O 3.4Å; R63-H70 PolarHBondContact N-O 3.11Å; R63-H70 PolarHBondContact O-N 2.89Å; L65-H70 HydrophobicContact CD1-CB 4.33Å; T67-H70 PolarHBondContact O-CE1 2.89Å; T67-H70 VanDerWaalsContact O-CE1 3.28Å; T67-H70 PolarHBondContact OG1-CE1 2.82Å; T67-H70 VanDerWaalsContact OG1-CE1 3.24Å; G68-H70 PolarHBondContact O-CE1 2.93Å; G68-H70 PolarHBondContact O-ND1 2.92Å; H70-V72 HydrophobicContact CB-CG1 4.07Å; H70-Y88 HydrophobicContact CB-CD1 4.2Å; H70-Y88 HydrophobicContact CB-CE1 4.27Å; H70-Y88 AromaticContact CD2-CD1 3.62Å; H70-Y88 AromaticContact CD2-CE1 3.49Å; H70-Y88 VanDerWaalsContact CD2-CE1 3.49Å; H70-Y88 WeakPolarHBondContact CD2-CE1 3.37Å; H70-Y88 AromaticContact CG-CE1 3.88Å; H70-R90 WeakPolarHBondContact CA-O 3.4Å
71	F	98	Very high	96.1	Very high	59 Å²	59	48.5 Å²	48.5	26%	0.259	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.4	156.2	-78.3	-84.9	0	0	0	109.1	Q62 E89 R90 F92	Q62-F71 HydrophobicContact CB-CD1 4.16Å; Q62-F71 HydrophobicContact CB-CE1 3.85Å; Q62-F71 HydrophobicContact CB-CZ 4.25Å; F71-E89 HydrophobicContact CB-CB 4.42Å; F71-E89 PolarHBondContact O-N 3.44Å; F71-R90 HydrophobicContact CB-CB 4.15Å; F71-R90 HydrophobicContact CD2-CB 4.2Å; F71-R90 PolarHBondContact N-O 3.04Å; F71-R90 PolarHBondContact O-N 2.64Å; F71-F92 AromaticContact CD2-CE2 3.57Å; F71-F92 HydrophobicContact CD2-CE2 3.57Å; F71-F92 AromaticContact CD2-CZ 3.92Å; F71-F92 HydrophobicContact CD2-CZ 3.92Å; F71-F92 AromaticContact CE2-CE2 3.58Å; F71-F92 HydrophobicContact CE2-CE2 3.58Å; F71-F92 AromaticContact CE2-CZ 3.4Å; F71-F92 HydrophobicContact CE2-CZ 3.4Å; F71-F92 VanDerWaalsContact CE2-CZ 3.4Å; F71-F92 HydrophobicContact CZ-CZ 4.28Å
72	V	97.8	Very high	96	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	142.7	179	-61.2	0	0	0	0	111.4	K61 R63 L65 H70 W86 K87 Y88	K61-V72 PolarHBondContact N-O 3.42Å; K61-V72 PolarHBondContact O-N 3.02Å; R63-V72 HydrophobicContact CB-CG2 4.15Å; R63-V72 HydrophobicContact CG-CG2 3.87Å; L65-V72 HydrophobicContact CD1-CG1 4.18Å; H70-V72 HydrophobicContact CB-CG1 4.07Å; V72-W86 HydrophobicContact CB-CB 4.32Å; V72-W86 HydrophobicContact CB-CG 4.27Å; V72-K87 CarbonylContact C-O 3.58Å; V72-K87 WeakPolarHBondContact CA-O 3.22Å; V72-K87 WeakPolarHBondContact CB-O 3.43Å; V72-Y88 HydrophobicContact CG1-CD1 3.57Å; V72-Y88 HydrophobicContact CG1-CE1 3.87Å; V72-Y88 HydrophobicContact CG1-CG 4.29Å
73	A	98.1	Very high	96	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.008	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.7	173.6	0	0	0	0	0	109.2	C57 A58 A60 W86 K87 E89	C57-A73 HydrophobicContact CB-CB 4.27Å; A58-A73 WeakPolarHBondContact O-CB 3.42Å; A60-A73 HydrophobicContact CB-CB 4.43Å; A73-W86 CarbonylContact O-C 3.47Å; A73-W86 VanDerWaalsContact O-CA 3.22Å; A73-W86 WeakPolarHBondContact O-CA 3.36Å; A73-W86 WeakPolarHBondContact O-CB 3.32Å; A73-K87 PolarHBondContact N-O 3.11Å; A73-K87 PolarHBondContact O-N 2.96Å; A73-E89 HydrophobicContact CB-CG 4.27Å
74	D	97.8	Very high	96	Very high	42 Å²	42	38 Å²	38	23%	0.225	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	138.2	173.6	-63.3	-46.1	0	0	0	110.1	C57 A58 R63 F76	C57-D74 CarbonylContact C-O 3.58Å; C57-D74 WeakPolarHBondContact CA-O 3.17Å; A58-D74 HydrophobicContact CB-CB 4.25Å; A58-D74 PolarHBondContact N-O 2.88Å; R63-D74 IonicContact CZ-OD1 3.24Å; R63-D74 VanDerWaalsContact CZ-OD1 3.24Å; R63-D74 IonicContact CZ-OD2 3.79Å; R63-D74 IonicContact NH1-OD1 2.69Å; R63-D74 PolarHBondContact NH1-OD1 3.44Å; R63-D74 IonicContact NH1-OD2 3.97Å; R63-D74 IonicContact NH2-OD1 3.57Å; R63-D74 PolarHBondContact NH2-OD1 2.79Å; R63-D74 IonicContact NH2-OD2 3.03Å; R63-D74 PolarHBondContact NH2-OD2 3.44Å; D74-F76 HydrophobicContact CB-CE2 3.66Å; D74-F76 HydrophobicContact CB-CZ 4Å
75	I	97.6	Very high	96.1	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.5	178	59.5	145.6	0	0	0	112.2	V55 R56 L84 G85 K87 V103 I105	V55-I75 HydrophobicContact CG1-CD1 4.1Å; R56-I75 WeakPolarHBondContact O-CA 3.21Å; I75-L84 HydrophobicContact CD1-CB 3.86Å; I75-L84 HydrophobicContact CD1-CD1 4.41Å; I75-L84 HydrophobicContact CG1-CB 4.17Å; I75-L84 PolarHBondContact O-N 2.99Å; I75-G85 VanDerWaalsContact CG1-C 3.44Å; I75-G85 WeakPolarHBondContact CG1-O 3.23Å; I75-G85 PolarHBondContact N-O 2.92Å; I75-K87 HydrophobicContact CG2-CB 4.06Å; I75-V103 HydrophobicContact CD1-CG1 3.37Å; I75-V103 HydrophobicContact CG1-CG1 4.25Å; I75-I105 HydrophobicContact CD1-CG1 4.05Å
76	F	97.3	Very high	96.3	Very high	65 Å²	65	31.9 Å²	31.9	29%	0.285	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	143.7	-178.1	-57.8	-96.7	0	0	0	109.6	V55 R56 A58 D74 A78 D81 T82 A83	V55-F76 CarbonylContact C-O 3.49Å; V55-F76 WeakPolarHBondContact CA-O 3.45Å; R56-F76 PolarHBondContact N-O 3.35Å; R56-F76 PolarHBondContact O-N 3.23Å; A58-F76 HydrophobicContact CB-CE2 4.05Å; D74-F76 HydrophobicContact CB-CE2 3.66Å; D74-F76 HydrophobicContact CB-CZ 4Å; F76-A78 PolarHBondContact O-N 3.35Å; F76-D81 WeakPolarHBondContact CD1-O 3.23Å; F76-T82 CarbonylContact C-O 3.48Å; F76-T82 VanDerWaalsContact CA-O 3.27Å; F76-T82 WeakPolarHBondContact CA-O 3.09Å; F76-A83 HydrophobicContact CD1-CB 3.89Å; F76-A83 HydrophobicContact CE1-CB 3.72Å
77	C	96.8	Very high	96.5	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	121.7	173.4	-176.3	0	0	0	0	110	C79 C80 D81 T82 L84	C77-C79 PolarHBondContact O-N 2.84Å; C77-C79 VanDerWaalsContact O-N 3.13Å; C77-C80 PolarHBondContact O-N 3.38Å; C77-D81 WeakPolarHBondContact O-CA 3.25Å; C77-D81 PolarHBondContact O-N 3.36Å; C77-T82 PolarHBondContact N-O 3.21Å; C77-L84 HydrophobicContact CB-CD1 3.9Å; C77-L84 HydrophobicContact CB-CD2 4.31Å; C77-L84 HydrophobicContact CB-CG 4.2Å
78	A	95.1	Very high	96.7	Very high	14 Å²	14	24 Å²	24	12%	0.116	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-26.3	-179.4	0	0	0	0	0	113	N54 R56 F76	N54-A78 VanDerWaalsContact O-CB 3.27Å; N54-A78 WeakPolarHBondContact O-CB 3.38Å; N54-A78 PolarHBondContact O-N 2.99Å; R56-A78 HydrophobicContact CG-CB 3.78Å; R56-A78 PolarHBondContact NH1-O 3.44Å; R56-A78 VanDerWaalsContact NH1-O 3.09Å; F76-A78 PolarHBondContact O-N 3.35Å
79	C	92.6	Very high	96.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-25.7	-175.4	-52.7	0	0	0	0	113.8	V2 K3 G4 K5 A26 C77	V2-C79 CarbonylContact C-O 3.57Å; V2-C79 HydrophobicContact CG1-CB 4.1Å; V2-C79 VanDerWaalsContact CG1-O 3.32Å; V2-C79 WeakPolarHBondContact CG1-O 3.46Å; K3-C79 PolarHBondContact N-O 3.37Å; G4-C79 PolarHBondContact N-O 3.08Å; K5-C79 PolarHBondContact O-SG 3.16Å; K5-C79 VanDerWaalsContact O-SG 3.41Å; A26-C79 HydrophobicContact CB-CB 4.06Å; C77-C79 PolarHBondContact O-N 2.84Å; C77-C79 VanDerWaalsContact O-N 3.13Å
80	C	94.4	Very high	96.9	Very high	18 Å²	18	30.6 Å²	30.6	12%	0.122	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.3	5.1	-176.4	69.6	0	0	0	0	116.5	C24 C77 T82	C24-C80 HydrophobicContact CB-CB 3.86Å; C77-C80 PolarHBondContact O-N 3.38Å; C80-T82 PolarHBondContact O-N 3.3Å; C80-T82 VanDerWaalsContact O-N 3.1Å; C80-T82 PolarHBondContact SG-OG1 2.81Å
81	D	94.9	Very high	96.9	Very high	50 Å²	50	31 Å²	31	27%	0.267	16%	0.155	S	C	.	.			trans	63.3	2.2	179.1	-49.7	-24.5	0	0	0	116.6	K3 R56 F76 C77 A83	K3-D81 WeakPolarHBondContact CD-OD2 3.25Å; K3-D81 WeakPolarHBondContact CE-OD2 3.5Å; K3-D81 IonicContact NZ-OD2 3.21Å; K3-D81 PolarHBondContact NZ-OD2 3.49Å; R56-D81 IonicContact CZ-OD1 2.8Å; R56-D81 IonicContact NH1-OD1 3.69Å; R56-D81 PolarHBondContact NH1-OD1 3.08Å; R56-D81 IonicContact NH2-OD1 2.58Å; R56-D81 PolarHBondContact NH2-OD1 3.12Å; F76-D81 WeakPolarHBondContact CD1-O 3.23Å; C77-D81 WeakPolarHBondContact O-CA 3.25Å; C77-D81 PolarHBondContact O-N 3.36Å; D81-A83 PolarHBondContact O-N 2.89Å
82	T	96	Very high	96.7	Very high	32 Å²	32	33.2 Å²	33.2	20%	0.196	17%	0.165	C	C	.	.			trans	-59.2	131.2	175	-50	0	0	0	0	110.5	H23 F76 C77 C80 L84	H23-T82 PolarHBondContact CD2-OG1 3.46Å; F76-T82 CarbonylContact C-O 3.48Å; F76-T82 VanDerWaalsContact CA-O 3.27Å; F76-T82 WeakPolarHBondContact CA-O 3.09Å; C77-T82 PolarHBondContact N-O 3.21Å; C80-T82 PolarHBondContact O-N 3.3Å; C80-T82 VanDerWaalsContact O-N 3.1Å; C80-T82 PolarHBondContact SG-OG1 2.81Å; T82-L84 PolarHBondContact O-N 3.46Å
83	A	96.9	Very high	96.6	Very high	46 Å²	46	37.7 Å²	37.7	38%	0.38	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	125.1	168.5	0	0	0	0	0	109.7	F76 D81 H109	F76-A83 HydrophobicContact CD1-CB 3.89Å; F76-A83 HydrophobicContact CE1-CB 3.72Å; D81-A83 PolarHBondContact O-N 2.89Å; A83-H109 PolarHBondContact O-CD2 3.3Å; A83-H109 PolarHBondContact O-NE2 2.65Å
84	L	97.4	Very high	96.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-22.5	-173	-65.2	176.5	0	0	0	113.4	L28 V55 I75 C77 T82 I105 E106 H109	L28-L84 HydrophobicContact CD1-CD1 3.81Å; L28-L84 HydrophobicContact CD1-CD2 4.17Å; L28-L84 HydrophobicContact CD2-CD1 3.71Å; L28-L84 HydrophobicContact CG-CD1 4.43Å; V55-L84 HydrophobicContact CG1-CD1 3.87Å; I75-L84 HydrophobicContact CD1-CB 3.86Å; I75-L84 HydrophobicContact CD1-CD1 4.41Å; I75-L84 HydrophobicContact CG1-CB 4.17Å; I75-L84 PolarHBondContact O-N 2.99Å; C77-L84 HydrophobicContact CB-CD1 3.9Å; C77-L84 HydrophobicContact CB-CD2 4.31Å; C77-L84 HydrophobicContact CB-CG 4.2Å; T82-L84 PolarHBondContact O-N 3.46Å; L84-I105 HydrophobicContact CB-CG2 4.33Å; L84-I105 WeakPolarHBondContact O-CA 3.45Å; L84-E106 PolarHBondContact O-N 2.89Å; L84-H109 HydrophobicContact CD2-CB 3.7Å
85	G	97.6	Very high	96.5	Very high	8 Å²	8	43.7 Å²	43.7	8%	0.082	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.4	-142.9	-168.9	0	0	0	0	0	110.5	I75 I104	I75-G85 VanDerWaalsContact CG1-C 3.44Å; I75-G85 WeakPolarHBondContact CG1-O 3.23Å; I75-G85 PolarHBondContact N-O 2.92Å; G85-I104 WeakPolarHBondContact CA-O 3.05Å
86	W	98	Very high	96.4	Very high	26 Å²	26	44.9 Å²	44.9	10%	0.098	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	155.2	-179.1	61.5	84.2	0	0	0	113.5	V72 A73 Y88 I104	V72-W86 HydrophobicContact CB-CB 4.32Å; V72-W86 HydrophobicContact CB-CG 4.27Å; A73-W86 CarbonylContact O-C 3.47Å; A73-W86 VanDerWaalsContact O-CA 3.22Å; A73-W86 WeakPolarHBondContact O-CA 3.36Å; A73-W86 WeakPolarHBondContact O-CB 3.32Å; W86-Y88 AromaticContact NE1-CE2 3.94Å; W86-Y88 AromaticContact NE1-CZ 3.69Å; W86-I104 HydrophobicContact CH2-CG2 4.47Å; W86-I104 HydrophobicContact CZ2-CD1 3.86Å; W86-I104 HydrophobicContact CZ2-CG2 4.23Å; W86-I104 PolarHBondContact N-O 3.33Å; W86-I104 VanDerWaalsContact N-O 3.11Å; W86-I104 PolarHBondContact O-N 2.94Å
87	K	98	Very high	96.4	Very high	48 Å²	48	48.9 Å²	48.9	21%	0.209	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	142	169	175.8	172.9	171.1	-114.3	0	110.4	V72 A73 I75 E89 G101 K102 V103	V72-K87 CarbonylContact C-O 3.58Å; V72-K87 WeakPolarHBondContact CA-O 3.22Å; V72-K87 WeakPolarHBondContact CB-O 3.43Å; A73-K87 PolarHBondContact N-O 3.11Å; A73-K87 PolarHBondContact O-N 2.96Å; I75-K87 HydrophobicContact CG2-CB 4.06Å; K87-E89 WeakPolarHBondContact CD-OE1 3.32Å; K87-E89 WeakPolarHBondContact CE-OE1 3.27Å; K87-E89 IonicContact NZ-OE1 2.75Å; K87-E89 PolarHBondContact NZ-OE1 2.58Å; K87-E89 IonicContact NZ-OE2 3.51Å; K87-E89 PolarHBondContact NZ-OE2 2.78Å; K87-G101 WeakPolarHBondContact CE-O 3.27Å; K87-K102 WeakPolarHBondContact CA-O 3.47Å; K87-V103 HydrophobicContact CB-CG2 4.25Å; K87-V103 HydrophobicContact CD-CG2 4.38Å; K87-V103 HydrophobicContact CG-CG2 4.25Å
88	Y	98	Very high	96.4	Very high	7 Å²	7	54.3 Å²	54.3	3%	0.027	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	123.9	169.3	-69.6	-81.6	0	0	0	110.9	L48 L65 H70 V72 W86 K99 G101 K102 I104	L48-Y88 HydrophobicContact CD1-CD2 4.48Å; L48-Y88 HydrophobicContact CD1-CE2 4.27Å; L65-Y88 HydrophobicContact CD1-CE1 3.75Å; H70-Y88 HydrophobicContact CB-CD1 4.2Å; H70-Y88 HydrophobicContact CB-CE1 4.27Å; H70-Y88 AromaticContact CD2-CD1 3.62Å; H70-Y88 AromaticContact CD2-CE1 3.49Å; H70-Y88 VanDerWaalsContact CD2-CE1 3.49Å; H70-Y88 WeakPolarHBondContact CD2-CE1 3.37Å; H70-Y88 AromaticContact CG-CE1 3.88Å; V72-Y88 HydrophobicContact CG1-CD1 3.57Å; V72-Y88 HydrophobicContact CG1-CE1 3.87Å; V72-Y88 HydrophobicContact CG1-CG 4.29Å; W86-Y88 AromaticContact NE1-CE2 3.94Å; W86-Y88 AromaticContact NE1-CZ 3.69Å; Y88-K99 VanDerWaalsContact CB-O 3.27Å; Y88-K99 WeakPolarHBondContact CB-O 3.21Å; Y88-K99 HydrophobicContact CD1-CB 4.36Å; Y88-K99 HydrophobicContact CD2-CB 3.85Å; Y88-K99 HydrophobicContact CE1-CD 4.22Å; Y88-K99 HydrophobicContact CE2-CB 4.13Å; Y88-K99 HydrophobicContact CE2-CD 4.15Å; Y88-K99 HydrophobicContact CE2-CG 4.43Å; Y88-K99 HydrophobicContact CG-CB 3.97Å; Y88-G101 WeakPolarHBondContact O-CA 3.34Å; Y88-G101 PolarHBondContact O-N 2.79Å; Y88-K102 PolarHBondContact N-O 2.81Å; Y88-I104 HydrophobicContact CE2-CD1 3.58Å; Y88-I104 HydrophobicContact CE2-CG1 3.93Å; Y88-I104 WeakPolarHBondContact OH-CD1 3.39Å
89	E	97.6	Very high	96.5	Very high	71 Å²	71	53.9 Å²	53.9	33%	0.332	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-31.1	174.6	-61.3	-59.1	161.8	0	0	112.6	A60 F71 A73 K87	A60-E89 HydrophobicContact CB-CB 4.26Å; A60-E89 HydrophobicContact CB-CG 3.76Å; F71-E89 HydrophobicContact CB-CB 4.42Å; F71-E89 PolarHBondContact O-N 3.44Å; A73-E89 HydrophobicContact CB-CG 4.27Å; K87-E89 WeakPolarHBondContact CD-OE1 3.32Å; K87-E89 WeakPolarHBondContact CE-OE1 3.27Å; K87-E89 IonicContact NZ-OE1 2.75Å; K87-E89 PolarHBondContact NZ-OE1 2.58Å; K87-E89 IonicContact NZ-OE2 3.51Å; K87-E89 PolarHBondContact NZ-OE2 2.78Å
90	R	97.4	Very high	96.7	Very high	153 Å²	153	56.1 Å²	56.1	58%	0.577	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156.4	139.9	175.1	-167.1	171.9	-64.9	164.7	3.4	112.1	H70 F71 E100	H70-R90 WeakPolarHBondContact CA-O 3.4Å; F71-R90 HydrophobicContact CB-CB 4.15Å; F71-R90 HydrophobicContact CD2-CB 4.2Å; F71-R90 PolarHBondContact N-O 3.04Å; F71-R90 PolarHBondContact O-N 2.64Å; R90-E100 WeakPolarHBondContact CA-OE1 3.45Å; R90-E100 WeakPolarHBondContact CG-OE1 3.27Å
91	A	96.6	Very high	96.8	Very high	8 Å²	8	57 Å²	57	7%	0.066	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	140.6	166.3	0	0	0	0	0	109.7	Q96 R97 E100	A91-Q96 HydrophobicContact CB-CB 3.92Å; A91-R97 HydrophobicContact CB-CG 4.28Å; A91-E100 HydrophobicContact CB-CG 4.18Å; A91-E100 PolarHBondContact N-OE1 3.02Å
92	F	95.2	Very high	97	Very high	106 Å²	106	56.6 Å²	56.6	47%	0.465	28%	0.283	S	S	.	.	S	Bend	trans	-83.5	-29.1	176.9	-76	-106.6	0	0	0	112.5	L69 F71	L69-F92 HydrophobicContact CB-CB 4.4Å; L69-F92 HydrophobicContact CB-CD2 3.95Å; L69-F92 HydrophobicContact CB-CE2 4.39Å; L69-F92 HydrophobicContact CB-CG 4.22Å; L69-F92 HydrophobicContact CD2-CD1 4.01Å; L69-F92 HydrophobicContact CD2-CD2 3.9Å; L69-F92 HydrophobicContact CD2-CE1 3.81Å; L69-F92 HydrophobicContact CD2-CE2 3.68Å; L69-F92 HydrophobicContact CD2-CG 4.04Å; L69-F92 HydrophobicContact CD2-CZ 3.61Å; L69-F92 HydrophobicContact CG-CD2 3.8Å; L69-F92 HydrophobicContact CG-CE2 3.72Å; L69-F92 HydrophobicContact CG-CG 4.31Å; L69-F92 HydrophobicContact CG-CZ 4.18Å; L69-F92 VanDerWaalsContact O-CD2 3.29Å; L69-F92 WeakPolarHBondContact O-CD2 3.49Å; L69-F92 PolarHBondContact O-N 3.11Å; F71-F92 AromaticContact CD2-CE2 3.57Å; F71-F92 HydrophobicContact CD2-CE2 3.57Å; F71-F92 AromaticContact CD2-CZ 3.92Å; F71-F92 HydrophobicContact CD2-CZ 3.92Å; F71-F92 AromaticContact CE2-CE2 3.58Å; F71-F92 HydrophobicContact CE2-CE2 3.58Å; F71-F92 AromaticContact CE2-CZ 3.4Å; F71-F92 HydrophobicContact CE2-CZ 3.4Å; F71-F92 VanDerWaalsContact CE2-CZ 3.4Å; F71-F92 HydrophobicContact CZ-CZ 4.28Å
93	E	96.2	Very high	97.1	Very high	95 Å²	95	55.4 Å²	55.4	44%	0.444	28%	0.276	S	S	.	.	S	Bend	trans	-94.9	132.5	-179.1	-166.2	-168.9	148	0	0	111.1	S95 Q96	E93-S95 VanDerWaalsContact C-N 3.26Å; E93-S95 PolarHBondContact O-N 2.75Å; E93-S95 WeakPolarHBondContact OE1-CB 3.42Å; E93-S95 PolarHBondContact OE1-OG 2.8Å; E93-Q96 HydrophobicContact CB-CG 4.14Å; E93-Q96 PolarHBondContact O-N 3.2Å
94	P	95.6	Very high	97.1	Very high	108 Å²	108	53.2 Å²	53.2	70%	0.701	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-52.9	-39.2	178.8	-29.4	36.4	0	0	0	114.3	Q96 R97	P94-Q96 PolarHBondContact O-N 2.68Å; P94-R97 WeakPolarHBondContact O-CB 3.31Å; P94-R97 PolarHBondContact O-N 3.42Å
95	S	96.5	Very high	97.1	Very high	61 Å²	61	53.2 Å²	53.2	43%	0.427	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-63.1	-25.1	-179.9	75.6	0	0	0	0	113.3	E93 Y98	E93-S95 VanDerWaalsContact C-N 3.26Å; E93-S95 PolarHBondContact O-N 2.75Å; E93-S95 WeakPolarHBondContact OE1-CB 3.42Å; E93-S95 PolarHBondContact OE1-OG 2.8Å; S95-Y98 VanDerWaalsContact O-CD1 3.26Å; S95-Y98 WeakPolarHBondContact O-CD1 3.38Å
96	Q	97.1	Very high	97.2	Very high	26 Å²	26	53 Å²	53	12%	0.121	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-96.3	-4.2	-176	-56.4	-52.4	-51.8	0	0	112.7	T67 A91 E93 P94 Y98 K99	T67-Q96 PolarHBondContact OG1-OE1 2.96Å; T67-Q96 VanDerWaalsContact OG1-OE1 3.09Å; A91-Q96 HydrophobicContact CB-CB 3.92Å; E93-Q96 HydrophobicContact CB-CG 4.14Å; E93-Q96 PolarHBondContact O-N 3.2Å; P94-Q96 PolarHBondContact O-N 2.68Å; Q96-Y98 PolarHBondContact O-N 3.29Å; Q96-Y98 VanDerWaalsContact O-N 3.13Å; Q96-K99 VanDerWaalsContact O-CB 3.32Å; Q96-K99 WeakPolarHBondContact O-CB 3.4Å; Q96-K99 WeakPolarHBondContact O-CG 3.39Å; Q96-K99 PolarHBondContact O-N 2.84Å
97	R	96.6	Very high	97.1	Very high	150 Å²	150	53.8 Å²	53.8	57%	0.566	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-63.7	-19.2	-176.9	-66.1	-165	69.3	-157.9	-7.4	114.3	A91 P94 K99 E100	A91-R97 HydrophobicContact CB-CG 4.28Å; P94-R97 WeakPolarHBondContact O-CB 3.31Å; P94-R97 PolarHBondContact O-N 3.42Å; R97-K99 PolarHBondContact O-N 2.79Å; R97-E100 IonicContact CZ-OE2 3.22Å; R97-E100 IonicContact NE-OE1 3.73Å; R97-E100 IonicContact NE-OE2 3.02Å; R97-E100 PolarHBondContact NE-OE2 3.35Å; R97-E100 IonicContact NH2-OE2 2.64Å; R97-E100 PolarHBondContact NH2-OE2 3.04Å; R97-E100 WeakPolarHBondContact O-CB 3.4Å; R97-E100 WeakPolarHBondContact O-CG 3.35Å; R97-E100 PolarHBondContact O-N 2.85Å
98	Y	96.5	Very high	97	Very high	114 Å²	114	54.7 Å²	54.7	45%	0.447	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-59.3	-16.2	171.1	79.5	-91.5	0	0	0	113.5	L48 S95 Q96 K102	L48-Y98 HydrophobicContact CD2-CE2 4.46Å; S95-Y98 VanDerWaalsContact O-CD1 3.26Å; S95-Y98 WeakPolarHBondContact O-CD1 3.38Å; Q96-Y98 PolarHBondContact O-N 3.29Å; Q96-Y98 VanDerWaalsContact O-N 3.13Å; Y98-K102 VanDerWaalsContact O-CD 3.25Å; Y98-K102 WeakPolarHBondContact O-CD 3.49Å; Y98-K102 VanDerWaalsContact O-CE 3.23Å; Y98-K102 WeakPolarHBondContact O-CE 3.45Å; Y98-K102 PolarHBondContact O-NZ 3.49Å
99	K	97.1	Very high	96.9	Very high	5 Å²	5	55 Å²	55	2%	0.022	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-84.4	-19.6	176.2	-61	175.2	178.8	171.1	0	113.4	T67 Y88 Q96 R97 G101 K102	T67-K99 PolarHBondContact OG1-NZ 2.91Å; Y88-K99 VanDerWaalsContact CB-O 3.27Å; Y88-K99 WeakPolarHBondContact CB-O 3.21Å; Y88-K99 HydrophobicContact CD1-CB 4.36Å; Y88-K99 HydrophobicContact CD2-CB 3.85Å; Y88-K99 HydrophobicContact CE1-CD 4.22Å; Y88-K99 HydrophobicContact CE2-CB 4.13Å; Y88-K99 HydrophobicContact CE2-CD 4.15Å; Y88-K99 HydrophobicContact CE2-CG 4.43Å; Y88-K99 HydrophobicContact CG-CB 3.97Å; Q96-K99 VanDerWaalsContact O-CB 3.32Å; Q96-K99 WeakPolarHBondContact O-CB 3.4Å; Q96-K99 WeakPolarHBondContact O-CG 3.39Å; Q96-K99 PolarHBondContact O-N 2.84Å; R97-K99 PolarHBondContact O-N 2.79Å; K99-G101 PolarHBondContact O-N 3.36Å; K99-K102 WeakPolarHBondContact O-CB 3.49Å; K99-K102 PolarHBondContact O-N 2.81Å
100	E	97.3	Very high	96.8	Very high	47 Å²	47	52.6 Å²	52.6	22%	0.22	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	134.3	-174.3	-65.2	-175.6	141.7	0	0	111.5	R90 A91 R97 K102	R90-E100 WeakPolarHBondContact CA-OE1 3.45Å; R90-E100 WeakPolarHBondContact CG-OE1 3.27Å; A91-E100 HydrophobicContact CB-CG 4.18Å; A91-E100 PolarHBondContact N-OE1 3.02Å; R97-E100 IonicContact CZ-OE2 3.22Å; R97-E100 IonicContact NE-OE1 3.73Å; R97-E100 IonicContact NE-OE2 3.02Å; R97-E100 PolarHBondContact NE-OE2 3.35Å; R97-E100 IonicContact NH2-OE2 2.64Å; R97-E100 PolarHBondContact NH2-OE2 3.04Å; R97-E100 WeakPolarHBondContact O-CB 3.4Å; R97-E100 WeakPolarHBondContact O-CG 3.35Å; R97-E100 PolarHBondContact O-N 2.85Å; E100-K102 VanDerWaalsContact C-N 3.26Å; E100-K102 PolarHBondContact O-N 2.76Å
101	G	97	Very high	96.6	Very high	37 Å²	37	48.5 Å²	48.5	38%	0.381	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	-22	-174.4	0	0	0	0	0	115.3	K87 Y88 K99	K87-G101 WeakPolarHBondContact CE-O 3.27Å; Y88-G101 WeakPolarHBondContact O-CA 3.34Å; Y88-G101 PolarHBondContact O-N 2.79Å; K99-G101 PolarHBondContact O-N 3.36Å
102	K	98	Very high	96.4	Very high	41 Å²	41	50.5 Å²	50.5	18%	0.178	25%	0.254	C	S	.	.			trans	-86.4	159.4	-168.7	-62.6	175	-179.9	170.7	0	113.4	I35 L48 F49 K87 Y88 Y98 K99 E100	I35-K102 HydrophobicContact CD1-CD 3.51Å; I35-K102 HydrophobicContact CD1-CG 4.26Å; L48-K102 HydrophobicContact CD1-CB 3.85Å; L48-K102 HydrophobicContact CD2-CD 4.36Å; L48-K102 HydrophobicContact CG-CB 4.36Å; F49-K102 WeakPolarHBondContact O-CB 3.41Å; K87-K102 WeakPolarHBondContact CA-O 3.47Å; Y88-K102 PolarHBondContact N-O 2.81Å; Y98-K102 VanDerWaalsContact O-CD 3.25Å; Y98-K102 WeakPolarHBondContact O-CD 3.49Å; Y98-K102 VanDerWaalsContact O-CE 3.23Å; Y98-K102 WeakPolarHBondContact O-CE 3.45Å; Y98-K102 PolarHBondContact O-NZ 3.49Å; K99-K102 WeakPolarHBondContact O-CB 3.49Å; K99-K102 PolarHBondContact O-N 2.81Å; E100-K102 VanDerWaalsContact C-N 3.26Å; E100-K102 PolarHBondContact O-N 2.76Å
103	V	98	Very high	95.9	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.042	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.9	-167.3	-173.6	0	0	0	0	110.7	F49 A52 I75 K87 I105	F49-V103 PolarHBondContact N-O 3.34Å; F49-V103 PolarHBondContact O-N 2.85Å; A52-V103 HydrophobicContact CB-CB 4.34Å; A52-V103 HydrophobicContact CB-CG1 4.11Å; A52-V103 HydrophobicContact CB-CG2 4.24Å; I75-V103 HydrophobicContact CD1-CG1 3.37Å; I75-V103 HydrophobicContact CG1-CG1 4.25Å; K87-V103 HydrophobicContact CB-CG2 4.25Å; K87-V103 HydrophobicContact CD-CG2 4.38Å; K87-V103 HydrophobicContact CG-CG2 4.25Å; V103-I105 HydrophobicContact CG1-CG1 4.05Å
104	I	97.7	Very high	95.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131.3	168.3	-69.5	-174.8	0	0	0	109.1	F39 A46 Y47 L48 G85 W86 Y88	F39-I104 HydrophobicContact CB-CD1 4.32Å; F39-I104 HydrophobicContact CD1-CD1 3.4Å; F39-I104 VanDerWaalsContact CD1-CD1 3.4Å; F39-I104 HydrophobicContact CD1-CG1 4.33Å; F39-I104 HydrophobicContact CE1-CD1 3.98Å; F39-I104 HydrophobicContact CG-CD1 4.1Å; A46-I104 HydrophobicContact CB-CG2 3.48Å; A46-I104 VanDerWaalsContact CB-CG2 3.48Å; Y47-I104 WeakPolarHBondContact O-CA 3.37Å; L48-I104 HydrophobicContact CD1-CD1 4.38Å; L48-I104 HydrophobicContact CD1-CG1 3.62Å; G85-I104 WeakPolarHBondContact CA-O 3.05Å; W86-I104 HydrophobicContact CH2-CG2 4.47Å; W86-I104 HydrophobicContact CZ2-CD1 3.86Å; W86-I104 HydrophobicContact CZ2-CG2 4.23Å; W86-I104 PolarHBondContact N-O 3.33Å; W86-I104 VanDerWaalsContact N-O 3.11Å; W86-I104 PolarHBondContact O-N 2.94Å; Y88-I104 HydrophobicContact CE2-CD1 3.58Å; Y88-I104 HydrophobicContact CE2-CG1 3.93Å; Y88-I104 WeakPolarHBondContact OH-CD1 3.39Å
105	I	98	Very high	93.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.4	173.5	-55.5	174.8	0	0	0	109.5	L28 A46 Y47 F49 A52 I75 L84 V103 L110	L28-I105 HydrophobicContact CB-CD1 4.22Å; L28-I105 HydrophobicContact CD1-CD1 4.41Å; A46-I105 CarbonylContact C-O 3.46Å; A46-I105 VanDerWaalsContact CA-O 3.29Å; A46-I105 WeakPolarHBondContact CA-O 3.49Å; A46-I105 WeakPolarHBondContact CB-O 3.32Å; Y47-I105 PolarHBondContact N-O 3.23Å; Y47-I105 PolarHBondContact O-N 3.23Å; F49-I105 HydrophobicContact CD2-CB 4.35Å; F49-I105 HydrophobicContact CD2-CD1 3.91Å; F49-I105 HydrophobicContact CD2-CG1 4.14Å; F49-I105 HydrophobicContact CE2-CB 4.19Å; F49-I105 HydrophobicContact CE2-CD1 4.12Å; F49-I105 HydrophobicContact CE2-CG1 4.39Å; A52-I105 HydrophobicContact CB-CD1 4.31Å; I75-I105 HydrophobicContact CD1-CG1 4.05Å; L84-I105 HydrophobicContact CB-CG2 4.33Å; L84-I105 WeakPolarHBondContact O-CA 3.45Å; V103-I105 HydrophobicContact CG1-CG1 4.05Å; I105-L110 HydrophobicContact CG2-CB 4.41Å; I105-L110 HydrophobicContact CG2-CD1 3.82Å; I105-L110 HydrophobicContact CG2-CD2 4.25Å; I105-L110 HydrophobicContact CG2-CG 4.39Å
106	E	97.8	Very high	92.3	Very high	4 Å²	4	46 Å²	46	2%	0.019	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	137.3	-179.9	-50.3	-175.8	132.7	0	0	111.4	G41 S42 Q43 A46 L84 V108 H109	G41-E106 WeakPolarHBondContact CA-OE1 3.09Å; S42-E106 WeakPolarHBondContact CA-OE1 3.46Å; S42-E106 WeakPolarHBondContact CB-OE1 3.08Å; S42-E106 PolarHBondContact N-OE1 3.34Å; S42-E106 PolarHBondContact OG-OE1 2.85Å; Q43-E106 PolarHBondContact N-OE1 2.97Å; Q43-E106 PolarHBondContact NE2-OE2 3.34Å; A46-E106 HydrophobicContact CB-CG 4.46Å; L84-E106 PolarHBondContact O-N 2.89Å; E106-V108 HydrophobicContact CB-CG2 3.88Å; E106-V108 PolarHBondContact O-N 2.83Å; E106-H109 PolarHBondContact O-N 3.08Å; E106-H109 VanDerWaalsContact O-N 3.11Å; E106-H109 IonicContact OE2-CD2 2.69Å; E106-H109 IonicContact OE2-NE2 2.67Å; E106-H109 PolarHBondContact OE2-NE2 2.85Å
107	L	96.5	Very high	90.5	Very high	41 Å²	41	49.2 Å²	49.2	22%	0.215	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-62.4	-28.6	-175.2	-95.3	63	0	0	0	113.2	R45 Y47 H109 L110	R45-L107 HydrophobicContact CB-CD2 4.17Å; R45-L107 PolarHBondContact O-N 3.43Å; Y47-L107 HydrophobicContact CD1-CD1 3.5Å; Y47-L107 VanDerWaalsContact CD1-CD1 3.5Å; Y47-L107 HydrophobicContact CD2-CD1 3.97Å; Y47-L107 HydrophobicContact CE1-CD1 3.64Å; Y47-L107 HydrophobicContact CE1-CD2 4.01Å; Y47-L107 HydrophobicContact CE1-CG 4.38Å; Y47-L107 HydrophobicContact CE2-CD1 4.08Å; Y47-L107 HydrophobicContact CG-CD1 3.68Å; L107-H109 PolarHBondContact O-N 2.86Å; L107-L110 PolarHBondContact O-N 2.91Å; L107-L110 VanDerWaalsContact O-N 3.1Å
108	V	96.4	Very high	88.7	Confident	68 Å²	68	42.9 Å²	42.9	41%	0.412	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-61.3	-21.4	177.7	-70.9	0	0	0	0	113.7	L22 Q43 E106	L22-V108 VanDerWaalsContact CD2-O 3.25Å; L22-V108 WeakPolarHBondContact CD2-O 3.47Å; Q43-V108 HydrophobicContact CB-CG2 3.62Å; E106-V108 HydrophobicContact CB-CG2 3.88Å; E106-V108 PolarHBondContact O-N 2.83Å
109	H	95.5	Very high	86.8	Confident	12 Å²	12	44.2 Å²	44.2	6%	0.056	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-107.2	4.7	177.5	-45.8	-53.3	0	0	0	113.1	L22 H23 Q43 A83 L84 E106 L107	L22-H109 WeakPolarHBondContact CB-O 3.44Å; L22-H109 PolarHBondContact N-O 3.38Å; H23-H109 AromaticContact NE2-ND1 3.71Å; Q43-H109 PolarHBondContact NE2-CE1 3.02Å; Q43-H109 PolarHBondContact NE2-NE2 3.13Å; A83-H109 PolarHBondContact O-CD2 3.3Å; A83-H109 PolarHBondContact O-NE2 2.65Å; L84-H109 HydrophobicContact CD2-CB 3.7Å; E106-H109 PolarHBondContact O-N 3.08Å; E106-H109 VanDerWaalsContact O-N 3.11Å; E106-H109 IonicContact OE2-CD2 2.69Å; E106-H109 IonicContact OE2-NE2 2.67Å; E106-H109 PolarHBondContact OE2-NE2 2.85Å; L107-H109 PolarHBondContact O-N 2.86Å
110	L	95.3	Very high	85.1	Confident	21 Å²	21	53.5 Å²	53.5	11%	0.11	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.7	-167	-158	60.5	0	0	0	111.8	Y19 L28 Y47 F49 I105 L107	Y19-L110 HydrophobicContact CD1-CD2 3.75Å; Y19-L110 HydrophobicContact CD1-CG 3.93Å; Y19-L110 HydrophobicContact CE1-CD2 4.38Å; Y19-L110 HydrophobicContact CG-CD2 4.21Å; Y19-L110 HydrophobicContact CG-CG 4.4Å; L28-L110 HydrophobicContact CD1-CD1 3.82Å; Y47-L110 HydrophobicContact CD2-CD2 4.39Å; F49-L110 HydrophobicContact CE2-CD2 4.04Å; F49-L110 HydrophobicContact CZ-CD2 4.07Å; I105-L110 HydrophobicContact CG2-CB 4.41Å; I105-L110 HydrophobicContact CG2-CD1 3.82Å; I105-L110 HydrophobicContact CG2-CD2 4.25Å; I105-L110 HydrophobicContact CG2-CG 4.39Å; L107-L110 PolarHBondContact O-N 2.91Å; L107-L110 VanDerWaalsContact O-N 3.1Å
111	F	93.4	Very high	83.1	Confident	68 Å²	68	54.3 Å²	54.3	30%	0.298	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.5	174.4	-177.8	-88.8	0	0	0	109.6	Y19 S20 L22 R25 D113	Y19-F111 CarbonylContact C-O 3.57Å; Y19-F111 WeakPolarHBondContact CA-O 3.46Å; S20-F111 PolarHBondContact N-O 3.27Å; S20-F111 PolarHBondContact O-N 2.76Å; L22-F111 HydrophobicContact CD1-CB 4.26Å; L22-F111 HydrophobicContact CD1-CD2 4.3Å; R25-F111 VanDerWaalsContact NH1-CZ 3.27Å; F111-D113 WeakPolarHBondContact CD1-OD2 3.37Å; F111-D113 HydrophobicContact CE1-CB 4.4Å
112	K	92.1	Very high	81.1	Confident	49 Å²	49	56.2 Å²	56.2	21%	0.213	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	102.7	176.9	-166.2	-173.7	-178.9	-178.1	0	109.4	Y19 N114 D427	Y19-K112 HydrophobicContact CD1-CB 4.22Å; Y19-K112 HydrophobicContact CD1-CG 4.24Å; Y19-K112 HydrophobicContact CE1-CB 4.03Å; Y19-K112 HydrophobicContact CE1-CD 4.26Å; Y19-K112 HydrophobicContact CE1-CG 3.74Å; K112-N114 VanDerWaalsContact CD-OD1 3.27Å; K112-N114 WeakPolarHBondContact CD-OD1 3.37Å; K112-N114 WeakPolarHBondContact CE-OD1 3.42Å; K112-N114 VanDerWaalsContact CG-OD1 3.31Å; K112-N114 WeakPolarHBondContact CG-OD1 3.32Å; K112-N114 PolarHBondContact O-N 2.67Å; K112-D427 IonicContact NZ-OD2 2.64Å; K112-D427 PolarHBondContact NZ-OD2 3.29Å
113	D	85.6	Confident	79.2	Confident	16 Å²	16	59.7 Å²	59.7	9%	0.086	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	96.5	171	-87.2	-83.1	0	0	0	108.2	T18 S20 F111 S115 R267	T18-D113 PolarHBondContact N-O 3.48Å; T18-D113 VanDerWaalsContact N-O 3.1Å; T18-D113 PolarHBondContact O-N 2.83Å; T18-D113 WeakPolarHBondContact OG1-CB 3.47Å; S20-D113 WeakPolarHBondContact CB-OD2 3.29Å; S20-D113 PolarHBondContact OG-OD2 2.72Å; F111-D113 WeakPolarHBondContact CD1-OD2 3.37Å; F111-D113 HydrophobicContact CE1-CB 4.4Å; D113-S115 PolarHBondContact O-N 3.1Å; D113-R267 IonicContact OD1-CZ 3.65Å; D113-R267 IonicContact OD1-NH1 3.61Å; D113-R267 IonicContact OD1-NH2 2.76Å; D113-R267 PolarHBondContact OD1-NH2 2.86Å; D113-R267 IonicContact OD2-NH2 3.06Å
114	N	78.7	Confident	77	Confident	50 Å²	50	65.5 Å²	65.5	27%	0.267	32%	0.317	S	S	.	.			trans	-74.2	1.9	-177.5	-71.8	-21.5	0	0	0	114.9	L17 K112 W116	L17-N114 HydrophobicContact CD2-CB 4.13Å; K112-N114 VanDerWaalsContact CD-OD1 3.27Å; K112-N114 WeakPolarHBondContact CD-OD1 3.37Å; K112-N114 WeakPolarHBondContact CE-OD1 3.42Å; K112-N114 VanDerWaalsContact CG-OD1 3.31Å; K112-N114 WeakPolarHBondContact CG-OD1 3.32Å; K112-N114 PolarHBondContact O-N 2.67Å; N114-W116 HydrophobicContact CB-CD2 4.25Å; N114-W116 HydrophobicContact CB-CG 4.21Å; N114-W116 HydrophobicContact CB-CZ2 4.37Å; N114-W116 WeakPolarHBondContact ND2-CZ2 3.27Å; N114-W116 VanDerWaalsContact O-CD1 3.31Å; N114-W116 PolarHBondContact O-N 3.12Å
115	S	69.6	Low	74.5	Confident	25 Å²	25	70.3 Å²	70.3	18%	0.175	34%	0.336	C	S	.	.			trans	52.9	23.5	177.1	-59.9	0	0	0	0	116.6	S16 D113 D117 A118	S16-S115 WeakPolarHBondContact O-CB 3.19Å; S16-S115 PolarHBondContact O-OG 2.92Å; D113-S115 PolarHBondContact O-N 3.1Å; S115-D117 PolarHBondContact O-N 2.95Å; S115-D117 VanDerWaalsContact O-N 3.16Å; S115-A118 WeakPolarHBondContact O-CB 3.23Å; S115-A118 PolarHBondContact O-N 2.95Å
116	W	64.3	Low	72.1	Confident	186 Å²	186	76.4 Å²	76.4	71%	0.705	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-29.3	178.1	-62.5	-15.8	0	0	0	113.7	N114 A118	N114-W116 HydrophobicContact CB-CD2 4.25Å; N114-W116 HydrophobicContact CB-CG 4.21Å; N114-W116 HydrophobicContact CB-CZ2 4.37Å; N114-W116 WeakPolarHBondContact ND2-CZ2 3.27Å; N114-W116 VanDerWaalsContact O-CD1 3.31Å; N114-W116 PolarHBondContact O-N 3.12Å; W116-A118 VanDerWaalsContact C-N 3.25Å; W116-A118 PolarHBondContact O-N 2.87Å
117	D	59.6	Low	69.6	Low	92 Å²	92	80.6 Å²	80.6	49%	0.492	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-5.3	176.9	-64.2	-37.4	0	0	0	113.6	S115 E119 W120 L121	S115-D117 PolarHBondContact O-N 2.95Å; S115-D117 VanDerWaalsContact O-N 3.16Å; D117-E119 VanDerWaalsContact C-N 3.35Å; D117-E119 PolarHBondContact O-N 3.11Å; D117-W120 PolarHBondContact O-N 2.92Å; D117-L121 WeakPolarHBondContact O-CG 3.32Å; D117-L121 PolarHBondContact O-N 3.14Å; D117-L121 VanDerWaalsContact O-N 3.1Å
118	A	58.8	Low	67.1	Low	17 Å²	17	84.8 Å²	84.8	14%	0.14	44%	0.435	C	S	.	.	H	α-helix	trans	-55.9	-47.9	-174.9	0	0	0	0	0	111.8	S115 W116 W120 L121 Y122	S115-A118 WeakPolarHBondContact O-CB 3.23Å; S115-A118 PolarHBondContact O-N 2.95Å; W116-A118 VanDerWaalsContact C-N 3.25Å; W116-A118 PolarHBondContact O-N 2.87Å; A118-W120 VanDerWaalsContact C-N 3.25Å; A118-W120 PolarHBondContact O-N 3.24Å; A118-L121 CarbonylContact O-C 3.52Å; A118-L121 WeakPolarHBondContact O-CA 3.27Å; A118-L121 PolarHBondContact O-N 3.05Å; A118-Y122 VanDerWaalsContact O-CD2 3.31Å; A118-Y122 WeakPolarHBondContact O-CD2 3.35Å; A118-Y122 PolarHBondContact O-N 2.75Å
119	E	56.2	Low	64.5	Low	143 Å²	143	85.5 Å²	85.5	67%	0.668	44%	0.442	S	S	*	.	H	α-helix	trans	-60.4	-32.5	178.7	-171.3	161.8	-124.8	0	0	113.1	D117 L121	D117-E119 VanDerWaalsContact C-N 3.35Å; D117-E119 PolarHBondContact O-N 3.11Å; E119-L121 VanDerWaalsContact C-N 3.34Å
120	W	60.6	Low	61.9	Low	199 Å²	199	91.9 Å²	91.9	75%	0.754	48%	0.482	S	S	*	.	H	α-helix	trans	-77.8	-17.2	174.6	-66	102.7	0	0	0	113.8	D117 A118	D117-W120 PolarHBondContact O-N 2.92Å; A118-W120 VanDerWaalsContact C-N 3.25Å; A118-W120 PolarHBondContact O-N 3.24Å
121	L	55.5	Low	59	Low	64 Å²	64	95.5 Å²	95.5	34%	0.335	52%	0.515	S	S	.	.	H	α-helix	trans	-95.4	-13.5	175.2	-66.7	173.6	0	0	0	113.4	D117 A118 E119 P123 L124	D117-L121 WeakPolarHBondContact O-CG 3.32Å; D117-L121 PolarHBondContact O-N 3.14Å; D117-L121 VanDerWaalsContact O-N 3.1Å; A118-L121 CarbonylContact O-C 3.52Å; A118-L121 WeakPolarHBondContact O-CA 3.27Å; A118-L121 PolarHBondContact O-N 3.05Å; E119-L121 VanDerWaalsContact C-N 3.34Å; L121-P123 VanDerWaalsContact C-N 3.28Å; L121-L124 HydrophobicContact CD2-CD1 4.36Å; L121-L124 PolarHBondContact O-N 3.2Å
122	Y	54.3	Low	56.6	Low	78 Å²	78	100.4 Å²	100.4	31%	0.306	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-51.5	-34.4	176.1	-102.7	-88.9	0	0	0	115.2	K14 A118 L124 Y125 T127	K14-Y122 HydrophobicContact CD-CE2 3.81Å; K14-Y122 VanDerWaalsContact CE-CE2 3.44Å; K14-Y122 HydrophobicContact CG-CE2 3.71Å; A118-Y122 VanDerWaalsContact O-CD2 3.31Å; A118-Y122 WeakPolarHBondContact O-CD2 3.35Å; A118-Y122 PolarHBondContact O-N 2.75Å; Y122-L124 PolarHBondContact O-N 2.93Å; Y122-Y125 PolarHBondContact O-N 3.1Å; Y122-T127 HydrophobicContact CE1-CG2 4.22Å
123	P	58.8	Low	53.9	Low	114 Å²	114	101.2 Å²	101.2	74%	0.74	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-63.1	-8.9	174.5	-25.2	36.1	0	0	0	115.9	L121	L121-P123 VanDerWaalsContact C-N 3.28Å
124	L	53.1	Low	51.6	Low	129 Å²	129	107.5 Å²	107.5	68%	0.675	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-104.8	-5.7	179.8	-61.8	178.8	0	0	0	114.1	L121 Y122	L121-L124 HydrophobicContact CD2-CD1 4.36Å; L121-L124 PolarHBondContact O-N 3.2Å; Y122-L124 PolarHBondContact O-N 2.93Å
125	Y	44.4	Very low	49.7	Very low	101 Å²	101	112.3 Å²	112.3	40%	0.396	63%	0.625	S	S	.	*	S	Bend	trans	-113	105.3	176.5	-76.2	-88.1	0	0	0	110	Y122 T127 P269	Y122-Y125 PolarHBondContact O-N 3.1Å; Y125-T127 PolarHBondContact O-N 2.82Å; Y125-P269 WeakPolarHBondContact OH-CG 3.15Å
126	P	46.9	Very low	48.5	Very low	127 Å²	127	116 Å²	116	83%	0.825	65%	0.652	S	S	*	*			trans	-61.8	109.6	167.7	-18.4	31.6	0	0	0	108.9	S128	P126-S128 PolarHBondContact O-N 2.69Å; P126-S128 VanDerWaalsContact O-N 3.1Å
127	T	45.4	Very low	47.2	Very low	92 Å²	92	114.8 Å²	114.8	56%	0.564	66%	0.659	S	S	*	*			trans	-65.4	111.7	174.4	47.3	0	0	0	0	108.9	Y122 Y125 S129	Y122-T127 HydrophobicContact CE1-CG2 4.22Å; Y125-T127 PolarHBondContact O-N 2.82Å; T127-S129 PolarHBondContact O-N 3.37Å
128	S	43.7	Very low	46.5	Very low	130 Å²	130	116.3 Å²	116.3	91%	0.909	67%	0.672	S	S	*	*			trans	-74.9	64	177	59.4	0	0	0	0	111.2	P126	P126-S128 PolarHBondContact O-N 2.69Å; P126-S128 VanDerWaalsContact O-N 3.1Å
129	S	42.9	Very low	45.5	Very low	82 Å²	82	121.5 Å²	121.5	57%	0.573	70%	0.702	S	S	*	*			trans	-148.9	150.6	179.4	53.8	0	0	0	0	109.7	T127	T127-S129 PolarHBondContact O-N 3.37Å
130	V	40.4	Very low	44.7	Very low	147 Å²	147	122 Å²	122	89%	0.891	71%	0.708	S	S	*	*			trans	67.9	70.8	-176.8	-161.9	0	0	0	0	114.5
131	A	35.4	Very low	43.5	Very low	97 Å²	97	119.3 Å²	119.3	80%	0.802	71%	0.708	S	S	*	*			trans	-145.8	51.6	163.5	0	0	0	0	0	111.8
132	N	41.6	Very low	42.5	Very low	171 Å²	171	127 Å²	127	91%	0.914	74%	0.735	S	S	*	*			trans	-157.9	134.6	172.6	-98.2	-33.8	0	0	0	109.3
133	G	35.8	Very low	41.7	Very low	65 Å²	65	128.2 Å²	128.2	67%	0.67	75%	0.754	S	S	*	*			trans	106	61.4	162.6	0	0	0	0	0	119.3
134	N	38	Very low	40.6	Very low	148 Å²	148	131.4 Å²	131.4	79%	0.791	76%	0.756	S	S	*	*			trans	59.2	116.2	133.9	-50.6	-14.4	0	0	0	122.2
135	N	38.2	Very low	39.8	Very low	151 Å²	151	131.3 Å²	131.3	81%	0.807	76%	0.764	S	S	*	*			trans	84.8	150.8	136.1	-61.7	-4.3	0	0	0	122.6
136	S	45.6	Very low	39.3	Very low	104 Å²	104	134.3 Å²	134.3	73%	0.727	78%	0.781	S	S	*	*			trans	64.1	82.7	167.7	42.7	0	0	0	0	118.7
137	D	35.8	Very low	38.8	Very low	160 Å²	160	134.2 Å²	134.2	86%	0.856	78%	0.78	S	S	*	*				30.7	98.6	128.6	-54.2	-31.5	0	0	0	118.8
138	T	44.7	Very low	38.2	Very low	124 Å²	124	137.5 Å²	137.5	76%	0.761	79%	0.793	S	S	*	*			trans	-146.7	117.1	148.4	-66.5	0	0	0	0	109.6	L140	T138-L140 PolarHBondContact O-N 2.81Å
139	T	37.7	Very low	37.5	Very low	125 Å²	125	135.8 Å²	135.8	77%	0.767	78%	0.781	S	S	*	*			trans	-80.2	75.7	-167.5	-40.8	0	0	0	0	113.1	N141	T139-N141 PolarHBondContact O-N 2.71Å
140	L	40.9	Very low	37	Very low	155 Å²	155	139 Å²	139	81%	0.812	80%	0.797	S	S	*	*			trans	-81	100.3	173	-90	168.4	0	0	0	111.8	T138 Y142	T138-L140 PolarHBondContact O-N 2.81Å; L140-Y142 PolarHBondContact O-N 2.74Å
141	N	34.8	Very low	36.9	Very low	141 Å²	141	135.8 Å²	135.8	75%	0.754	78%	0.781	S	S	*	*			trans	-68.4	91.3	176	-73.7	-38.4	0	0	0	112	T139 S143	T139-N141 PolarHBondContact O-N 2.71Å; N141-S143 PolarHBondContact O-N 3.18Å
142	Y	34.4	Very low	36.9	Very low	227 Å²	227	138 Å²	138	89%	0.89	78%	0.779	S	S	*	*			trans	-82.1	92	169.9	-130.1	-84.9	0	0	0	110.7	L140 K144	L140-Y142 PolarHBondContact O-N 2.74Å; Y142-K144 PolarHBondContact O-N 3.47Å
143	S	36.5	Very low	36.4	Very low	102 Å²	102	140.6 Å²	140.6	71%	0.713	78%	0.778	S	S	*	*			trans	-62	127.4	177.8	-57.2	0	0	0	0	111.4	N141	N141-S143 PolarHBondContact O-N 3.18Å
144	K	36.5	Very low	36.4	Very low	181 Å²	181	146.9 Å²	146.9	79%	0.787	79%	0.789	S	S	*	*			trans	-60.2	133.9	169.5	-73.6	179.5	176.6	176.4	0	109.7	Y142 H146	Y142-K144 PolarHBondContact O-N 3.47Å; K144-H146 PolarHBondContact O-N 3.15Å; K144-H146 VanDerWaalsContact O-N 3.13Å
145	P	36.7	Very low	36.1	Very low	127 Å²	127	147.9 Å²	147.9	83%	0.825	79%	0.789	S	S	*	*			trans	-67	113.1	168.8	27.7	-32.3	0	0	0	109
146	H	34.1	Very low	35.9	Very low	165 Å²	165	145.8 Å²	145.8	76%	0.764	79%	0.786	S	S	*	*			trans	-68.5	142.9	170.8	-80.6	-102.8	0	0	0	110	K144 I148	K144-H146 PolarHBondContact O-N 3.15Å; K144-H146 VanDerWaalsContact O-N 3.13Å; H146-I148 PolarHBondContact O-N 2.82Å
147	P	36	Very low	35.2	Very low	124 Å²	124	148.9 Å²	148.9	81%	0.805	79%	0.789	S	S	*	*			trans	-66.5	122	175	28	-33.4	0	0	0	109.7	S149	P147-S149 PolarHBondContact O-N 2.9Å
148	I	32	Very low	35.2	Very low	161 Å²	161	148 Å²	148	83%	0.826	79%	0.79	S	S	*	*			trans	-70.4	112.4	177.1	-62.3	173.9	0	0	0	108.6	H146	H146-I148 PolarHBondContact O-N 2.82Å
149	S	29.9	Very low	34.7	Very low	95 Å²	95	146 Å²	146	66%	0.664	79%	0.794	S	S	*	*			trans	-69.2	137.1	170.2	-175.5	0	0	0	0	110.2	P147 S151	P147-S149 PolarHBondContact O-N 2.9Å; S149-S151 PolarHBondContact O-N 3.06Å
150	V	32.6	Very low	34.3	Very low	149 Å²	149	151.6 Å²	151.6	90%	0.903	80%	0.801	S	S	*	*	S	Bend	trans	-94.7	88.8	177.2	-177.2	0	0	0	0	108.9
151	S	38	Very low	34.1	Very low	80 Å²	80	149.7 Å²	149.7	56%	0.559	80%	0.8	S	S	*	*			trans	-139.7	-35.6	176.6	52	0	0	0	0	114.1	S149 Y153	S149-S151 PolarHBondContact O-N 3.06Å; S151-Y153 PolarHBondContact O-N 3.5Å
152	D	34.9	Very low	34.2	Very low	143 Å²	143	152.8 Å²	152.8	77%	0.765	81%	0.807	S	S	*	*			trans	-100.2	63.4	-159.2	-58.4	-2	0	0	0	113.2
153	Y	30.9	Very low	34.3	Very low	226 Å²	226	147.3 Å²	147.3	89%	0.886	80%	0.802	S	S	*	*			trans	-140.8	87.2	166.2	-102.5	-86.6	0	0	0	110.9	S151	S151-Y153 PolarHBondContact O-N 3.5Å
154	H	35.6	Very low	34.3	Very low	197 Å²	197	147.5 Å²	147.5	91%	0.912	80%	0.803	S	S	*	*			trans	-141.6	156.3	160.2	-121.9	-94.8	0	0	0	111.3
155	H	32.7	Very low	34.2	Very low	169 Å²	169	145.9 Å²	145.9	78%	0.782	80%	0.803	S	S	*	*			trans	-77.7	165.9	-164.2	-87.7	-96.6	0	0	0	115.8
156	S	33	Very low	34.2	Very low	106 Å²	106	149 Å²	149	74%	0.741	80%	0.803	S	S	*	*			trans	76.8	156.2	148.8	78.4	0	0	0	0	117.6
157	E	32.4	Very low	33.9	Very low	169 Å²	169	151 Å²	151	79%	0.79	81%	0.81	S	S	*	*			cis	-159.1	148	-32.5	-117.3	178.7	168.8	0	0	108.5
158	T	34.4	Very low	34	Very low	143 Å²	143	150.9 Å²	150.9	88%	0.877	81%	0.809	S	S	*	*			trans	55.4	119.9	164.9	65.2	0	0	0	0	119.4
159	G	34.1	Very low	33.9	Very low	82 Å²	82	151.2 Å²	151.2	85%	0.845	81%	0.812	S	S	*	*			trans	-174	124.4	168.8	0	0	0	0	0	112.5
160	R	31	Very low	34.2	Very low	242 Å²	242	153.5 Å²	153.5	91%	0.913	82%	0.815	S	S	*	*			trans	-101	151.8	-173.3	-64.1	162.9	103.6	178.8	6.5	112.2
161	S	36.6	Very low	34.3	Very low	115 Å²	115	153 Å²	153	80%	0.804	81%	0.808	S	S	*	*			trans	105.1	142.4	154.4	-47.4	0	0	0	0	115.8
162	K	35.8	Very low	33.9	Very low	205 Å²	205	154.3 Å²	154.3	89%	0.891	82%	0.823	S	S	*	*			cis	156.2	88.5	-20.2	-107.4	-168.8	173.7	-171.2	0	107.1
163	S	37	Very low	34	Very low	112 Å²	112	151.7 Å²	151.7	78%	0.783	82%	0.816	S	S	*	*			trans	-168.8	121.7	155.8	38.1	0	0	0	0	107.2
164	S	36.1	Very low	34.2	Very low	106 Å²	106	148.4 Å²	148.4	74%	0.741	81%	0.813	S	S	*	*				60	118.7	81.5	-145.8	0	0	0	0	111.4
165	L	35.3	Very low	34.2	Very low	148 Å²	148	143.7 Å²	143.7	78%	0.775	80%	0.803	S	S	*	*			cis	-148.8	145.9	47	-77.5	157.1	0	0	0	115.6
166	K	35.4	Very low	34.3	Very low	193 Å²	193	143.1 Å²	143.1	84%	0.839	81%	0.805	S	S	*	*			trans	27.4	122.3	147.8	-64.7	-178.2	175	-178.4	0	122.2
167	F	28.8	Very low	34.2	Very low	205 Å²	205	143 Å²	143	90%	0.899	80%	0.804	S	S	*	*			trans	-86.4	165.6	141.5	-66.5	-92.2	0	0	0	111.2
168	P	38.1	Very low	34.3	Very low	122 Å²	122	140 Å²	140	79%	0.792	80%	0.802	S	S	*	*			trans	-108.1	144.6	143.7	0.3	20.7	0	0	0	111.8
169	L	29.8	Very low	34.4	Very low	168 Å²	168	138.6 Å²	138.6	88%	0.88	79%	0.793	S	S	*	*			trans	-104.8	143.6	166.4	-179.1	75	0	0	0	107.6
170	I	36.4	Very low	34.6	Very low	144 Å²	144	142.2 Å²	142.2	74%	0.738	79%	0.793	S	S	*	*			trans	-132.1	110.7	169.3	-61	-177.6	0	0	0	109.9
171	D	33.7	Very low	34.8	Very low	139 Å²	139	134.3 Å²	134.3	74%	0.743	79%	0.787	S	S	*	*			trans	40	124.7	145.4	-50.6	-25.8	0	0	0	122
172	A	29.2	Very low	34.7	Very low	107 Å²	107	132.4 Å²	132.4	88%	0.884	79%	0.785	S	S	*	*			trans	-115.8	122.2	150.4	0	0	0	0	0	108.5
173	S	38.3	Very low	34.7	Very low	88 Å²	88	128.8 Å²	128.8	62%	0.615	78%	0.78	S	S	*	*			trans	-158.4	113.7	179.3	61.2	0	0	0	0	114
174	N	34.4	Very low	34.5	Very low	156 Å²	156	133.1 Å²	133.1	83%	0.834	79%	0.785	S	S	*	*			trans	62.2	163.4	149.1	-41.6	-32.3	0	0	0	116.7
175	S	35.3	Very low	34.4	Very low	98 Å²	98	135.2 Å²	135.2	69%	0.685	78%	0.783	S	S	*	*			cis	-154.4	158.8	7.9	-30.2	0	0	0	0	110.9
176	L	34.7	Very low	34.1	Very low	158 Å²	158	133.6 Å²	133.6	83%	0.827	78%	0.784	S	S	*	*			trans	38.2	110.1	134.5	-57.3	171.7	0	0	0	118.9
177	S	30.9	Very low	34.1	Very low	103 Å²	103	129.5 Å²	129.5	72%	0.72	78%	0.78	S	S	*	*				92.6	110	60	70.3	0	0	0	0	116.3
178	S	35.9	Very low	34.4	Very low	107 Å²	107	125.7 Å²	125.7	75%	0.748	77%	0.774	S	S	*	*			trans	-174.2	112.6	146.5	-129.5	0	0	0	0	109
179	T	36.3	Very low	34.3	Very low	112 Å²	112	124.8 Å²	124.8	69%	0.687	77%	0.766	S	S	*	*				86	147.5	85.4	60.2	0	0	0	0	115.9
180	D	38.1	Very low	34.5	Very low	158 Å²	158	123.6 Å²	123.6	85%	0.845	76%	0.761	S	S	*	*			trans	72.1	133.5	168.5	-43.8	-43.5	0	0	0	117.9
181	G	35.2	Very low	34.5	Very low	77 Å²	77	123.7 Å²	123.7	79%	0.794	76%	0.762	S	S	*	*			cis	-179.3	161.8	-7	0	0	0	0	0	113.2
182	G	33.9	Very low	34.7	Very low	74 Å²	74	124.3 Å²	124.3	76%	0.763	76%	0.763	S	S	*	*			trans	93	110.2	-178.7	0	0	0	0	0	113.5
183	V	36.2	Very low	35.2	Very low	130 Å²	130	125.9 Å²	125.9	79%	0.788	76%	0.757	S	S	*	*			cis	82.6	98	23.4	-168.9	0	0	0	0	115.5
184	F	32.6	Very low	35.8	Very low	202 Å²	202	125.8 Å²	125.8	89%	0.886	76%	0.755	S	S	*	*				-152.4	148.8	127	-157.1	-103.5	0	0	0	110.9
185	E	33.9	Very low	36.1	Very low	150 Å²	150	125.1 Å²	125.1	70%	0.701	75%	0.751	S	S	*	*			trans	-112.2	140	-173	-72.9	167.5	113.5	0	0	109.7
186	S	29.6	Very low	36.4	Very low	114 Å²	114	128 Å²	128	80%	0.797	75%	0.753	S	S	*	*				59	79.9	72.8	-66.5	0	0	0	0	115.7
187	S	35	Very low	36.7	Very low	108 Å²	108	128.4 Å²	128.4	76%	0.755	75%	0.751	S	S	*	*			trans	-164.9	143	149.3	-90.2	0	0	0	0	110.8
188	T	35.4	Very low	37.1	Very low	125 Å²	125	129.4 Å²	129.4	77%	0.767	75%	0.753	S	S	*	*				72.9	128.2	55	-47.8	0	0	0	0	111.2
189	T	35.8	Very low	37.1	Very low	103 Å²	103	129.9 Å²	129.9	63%	0.632	76%	0.755	S	S	*	*			cis	-175.1	149.7	-15.1	-94.9	0	0	0	0	107.7
190	D	33.5	Very low	37	Very low	142 Å²	142	130 Å²	130	76%	0.759	76%	0.756	S	S	*	*			trans	61.5	157.9	162.9	-61.6	-18.8	0	0	0	123.2
191	L	36.1	Very low	36.9	Very low	147 Å²	147	128.3 Å²	128.3	77%	0.77	75%	0.747	S	S	*	*			trans	88.1	117.1	156.7	-55.3	-175.2	0	0	0	122
192	I	38.7	Very low	36.9	Very low	151 Å²	151	133 Å²	133	77%	0.774	75%	0.746	S	S	*	*				69.3	138.2	129.2	-66.3	171	0	0	0	118.7
193	D	40	Very low	36.9	Very low	140 Å²	140	136.1 Å²	136.1	75%	0.749	74%	0.74	S	S	*	*			cis	-158	-142.8	-22.5	-161.8	14.8	0	0	0	108.2
194	P	50.6	Low	37	Very low	87 Å²	87	137.3 Å²	137.3	57%	0.565	74%	0.737	S	S	*	*			trans	-120.2	-178.9	-134	40.1	-20.7	0	0	0	116.6
195	N	39.8	Very low	36.9	Very low	141 Å²	141	131.8 Å²	131.8	75%	0.754	72%	0.723	S	S	*	*			trans	-152.5	126.5	143.9	-87.3	-25.7	0	0	0	105.2
196	E	42.6	Very low	37.1	Very low	158 Å²	158	132.8 Å²	132.8	74%	0.738	73%	0.728	S	S	*	*				67.5	124.1	68.8	-63.5	-179.1	-162	0	0	111
197	E	41.8	Very low	37.3	Very low	167 Å²	167	135.4 Å²	135.4	78%	0.78	73%	0.727	S	S	*	*			cis	-143.9	152.6	25.2	-70.1	-174	159.3	0	0	115.1
198	T	39	Very low	37.4	Very low	125 Å²	125	139.4 Å²	139.4	77%	0.767	73%	0.733	S	S	*	*				42.1	131.9	129.5	-40.9	0	0	0	0	119.8
199	C	35.8	Very low	37.3	Very low	116 Å²	116	138.4 Å²	138.4	78%	0.784	73%	0.732	S	S	*	*			cis	-159.8	169.3	49	-155.5	0	0	0	0	114.2
200	T	33.4	Very low	37.4	Very low	116 Å²	116	142.3 Å²	142.3	71%	0.712	74%	0.743	S	S	*	*			trans	-108.9	-159.7	177.5	53.4	0	0	0	0	110.4
201	D	35.1	Very low	37.9	Very low	122 Å²	122	141 Å²	141	65%	0.652	74%	0.742	S	S	*	*			cis	-163.2	-172.1	13.9	-137.4	-49.8	0	0	0	112.9
202	F	35.3	Very low	38.3	Very low	176 Å²	176	139.8 Å²	139.8	77%	0.772	74%	0.742	S	S	*	*			trans	77	116.2	175.8	-63.4	-82.5	0	0	0	116.5
203	E	35.1	Very low	39.1	Very low	138 Å²	138	138.3 Å²	138.3	65%	0.645	74%	0.743	S	S	*	*			cis	80	96.7	27.6	-159.6	-154.9	-136.6	0	0	115.1
204	H	37.2	Very low	39.1	Very low	155 Å²	155	138 Å²	138	72%	0.718	75%	0.748	S	S	*	*				-175.6	153.2	117.5	-105.5	73.8	0	0	0	112.8
205	S	31.1	Very low	38.2	Very low	86 Å²	86	141.9 Å²	141.9	60%	0.601	76%	0.764	S	S	*	*			trans	-92.7	163.2	172.1	56.4	0	0	0	0	111.6
206	H	38.3	Very low	38.2	Very low	172 Å²	172	144.3 Å²	144.3	80%	0.796	77%	0.77	S	S	*	*				-177	157.4	120.5	-100.3	-71	0	0	0	112.1
207	H	34.3	Very low	37.7	Very low	168 Å²	168	146.7 Å²	146.7	78%	0.778	77%	0.772	S	S	*	*			trans	-78.2	157	178.6	-58	-106	0	0	0	112
208	H	37.5	Very low	37.6	Very low	192 Å²	192	145.5 Å²	145.5	89%	0.889	77%	0.766	S	S	*	*				-160.7	147.9	122.5	-104.9	-68.6	0	0	0	111.3
209	S	31.6	Very low	37.6	Very low	105 Å²	105	146.3 Å²	146.3	73%	0.734	76%	0.761	S	S	*	*			trans	-113.9	149.7	-176.6	47.9	0	0	0	0	112
210	H	39.1	Very low	37.7	Very low	185 Å²	185	147.2 Å²	147.2	86%	0.856	75%	0.753	S	S	*	*			trans	-135.6	137.3	171	-82.7	-69.6	0	0	0	110.8
211	P	42.9	Very low	37.9	Very low	114 Å²	114	150 Å²	150	74%	0.74	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-91.4	161.9	-177.7	36.4	-35.9	0	0	0	113.6
212	P	44.9	Very low	37.7	Very low	121 Å²	121	151.8 Å²	151.8	79%	0.786	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-83.1	154.1	174.8	34.3	-35.2	0	0	0	113.4
213	P	55.9	Low	37.8	Very low	121 Å²	121	151.4 Å²	151.4	79%	0.786	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-84	160.7	177.3	34.4	-35.7	0	0	0	113.9
214	P	39.6	Very low	37.9	Very low	132 Å²	132	151.6 Å²	151.6	86%	0.857	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-91.1	173.5	-168.8	36.6	-38	0	0	0	116.2
215	L	32.3	Very low	37.9	Very low	170 Å²	170	151.1 Å²	151.1	89%	0.89	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-64.6	153.7	-178.7	-66.2	162.9	0	0	0	114.8
216	H	39.9	Very low	38.1	Very low	192 Å²	192	153.3 Å²	153.3	89%	0.889	77%	0.77	S	S	*	*			trans	-117.9	156.9	158.6	-131.6	-83.2	0	0	0	111.6
217	R	32.6	Very low	37.8	Very low	208 Å²	208	151.5 Å²	151.5	79%	0.785	77%	0.766	S	S	*	*			trans	-115.4	174.8	-157	-166.8	-179.7	-167	173.4	4.4	112.3
218	H	39.8	Very low	37.9	Very low	141 Å²	141	149.2 Å²	149.2	65%	0.653	76%	0.764	S	S	*	*			trans	86.7	155.9	167.8	-54.7	-85.5	0	0	0	117.3
219	H	38.4	Very low	37.9	Very low	142 Å²	142	144.7 Å²	144.7	66%	0.657	75%	0.754	S	S	*	*			cis	-146.6	136.5	1	-140.2	-79.5	0	0	0	113.1
220	H	36.9	Very low	38.2	Very low	135 Å²	135	145.9 Å²	145.9	63%	0.625	76%	0.759	S	S	*	*			trans	33.2	138.4	149.3	-77.7	-130.5	0	0	0	126.5
221	Q	37.9	Very low	38	Very low	175 Å²	175	142.5 Å²	142.5	82%	0.818	76%	0.757	S	S	*	*				94.3	141.8	127.2	-82.7	163.1	-33	0	0	123.4
222	L	30.7	Very low	37.8	Very low	159 Å²	159	142.6 Å²	142.6	83%	0.832	76%	0.76	S	S	*	*			trans	-95.6	153	177.3	-62.3	152.9	0	0	0	110.1
223	H	37.9	Very low	37.2	Very low	168 Å²	168	141.9 Å²	141.9	78%	0.778	76%	0.758	S	S	*	*			trans	-163.5	124.1	138.3	-103.3	-60.6	0	0	0	114.1
224	H	36.4	Very low	36.3	Very low	142 Å²	142	142.2 Å²	142.2	66%	0.657	76%	0.758	S	S	*	*			trans	49.6	122.5	135.3	-73.6	-21.4	0	0	0	124.8
225	H	37.3	Very low	36.1	Very low	146 Å²	146	144.2 Å²	144.2	68%	0.676	76%	0.756	S	S	*	*				101.4	121.5	115.9	-81.6	-41.3	0	0	0	123.6
226	L	36	Very low	36.1	Very low	132 Å²	132	142.5 Å²	142.5	69%	0.691	75%	0.752	S	S	*	*			trans	88.4	124.3	131.8	-68.8	166.7	0	0	0	122.4
227	N	31.7	Very low	35.8	Very low	133 Å²	133	141.9 Å²	141.9	71%	0.711	75%	0.749	S	S	*	*			trans	71.4	153.2	143.2	-59.4	-11.1	0	0	0	118.5
228	T	35.8	Very low	35.5	Very low	121 Å²	121	141.3 Å²	141.3	74%	0.742	76%	0.755	S	S	*	*			cis	-152.2	147.3	10.9	-20.7	0	0	0	0	113.5
229	S	38	Very low	35.3	Very low	97 Å²	97	139.6 Å²	139.6	68%	0.678	76%	0.76	S	S	*	*			trans	40.6	128.2	145.2	61.1	0	0	0	0	123.9
230	P	37.6	Very low	35	Very low	129 Å²	129	138.5 Å²	138.5	84%	0.838	77%	0.768	S	S	*	*			trans	-116.7	136.9	151.8	36.4	-25.3	0	0	0	113.2
231	S	35.1	Very low	34.9	Very low	114 Å²	114	141.2 Å²	141.2	80%	0.797	78%	0.778	S	S	*	*			trans	-165.1	106.1	174	58.7	0	0	0	0	116.3
232	S	38.7	Very low	34.6	Very low	116 Å²	116	138.3 Å²	138.3	81%	0.811	78%	0.777	S	S	*	*			trans	-176.7	163.8	145.9	55.6	0	0	0	0	111.5
233	S	31.5	Very low	34.4	Very low	106 Å²	106	138.8 Å²	138.8	74%	0.741	78%	0.78	S	S	*	*				175.3	96.6	-78.6	55.8	0	0	0	0	110.3
234	T	37.5	Very low	34.1	Very low	129 Å²	129	139.8 Å²	139.8	79%	0.791	79%	0.787	S	S	*	*			trans	-150.9	119.9	168.8	-6.9	0	0	0	0	113.3
235	Q	35.9	Very low	33.7	Very low	174 Å²	174	137.5 Å²	137.5	81%	0.813	79%	0.787	S	S	*	*			trans	25.4	113.5	149.2	-61.9	168.2	3.5	0	0	118.2
236	V	31.4	Very low	33.6	Very low	134 Å²	134	137.1 Å²	137.1	81%	0.812	79%	0.79	S	S	*	*				70.9	101.5	57.1	-177.4	0	0	0	0	114.1
237	H	33.7	Very low	33.4	Very low	179 Å²	179	137 Å²	137	83%	0.829	79%	0.79	S	S	*	*			trans	-155.8	123.1	130.2	-128.4	-95.1	0	0	0	110.4
238	Q	28	Very low	33.3	Very low	195 Å²	195	136.2 Å²	136.2	91%	0.911	80%	0.795	S	S	*	*			trans	-130.6	140.5	164.4	-76.2	-173.4	-3.1	0	0	107.7
239	S	35	Very low	33	Very low	106 Å²	106	135.2 Å²	135.2	74%	0.741	80%	0.799	S	S	*	*			trans	-137.3	133.3	167.2	48.7	0	0	0	0	108.9
240	S	31.8	Very low	32.7	Very low	119 Å²	119	135.8 Å²	135.8	83%	0.832	80%	0.803	S	S	*	*			trans	-128.9	132.4	-169.3	49.5	0	0	0	0	111.2
241	F	33.8	Very low	32.1	Very low	192 Å²	192	137.3 Å²	137.3	84%	0.842	80%	0.803	S	S	*	*			trans	-161.7	158.4	166.7	64.7	-90	0	0	0	108.3
242	S	32.2	Very low	31.9	Very low	114 Å²	114	135.7 Å²	135.7	80%	0.797	80%	0.797	S	S	*	*			cis	-160.6	152.1	-41.2	-98.9	0	0	0	0	105.9
243	L	27	Very low	31.4	Very low	168 Å²	168	140.2 Å²	140.2	88%	0.88	80%	0.798	S	S	*	*			trans	-71	135.7	-172.7	-67.1	150.5	0	0	0	112.7
244	M	32.1	Very low	31.2	Very low	189 Å²	189	146.7 Å²	146.7	93%	0.931	81%	0.806	S	S	*	*			trans	-143.1	139.3	138.9	-73.8	-158	75.6	0	0	109.3
245	S	27.7	Very low	30.7	Very low	95 Å²	95	148.9 Å²	148.9	66%	0.664	81%	0.812	S	S	*	*			trans	-98.1	149.6	-177.6	-56.1	0	0	0	0	111.4
246	N	35.5	Very low	30.3	Very low	137 Å²	137	145.8 Å²	145.8	73%	0.733	81%	0.809	S	S	*	*				175	141.2	113	-90.8	16.9	0	0	0	113.7
247	D	32.3	Very low	30	Very low	130 Å²	130	144.8 Å²	144.8	70%	0.695	81%	0.808	S	S	*	*			trans	58.2	99.3	141	-49.8	-29.4	0	0	0	122.1
248	S	28.7	Very low	29.8	Very low	116 Å²	116	141.7 Å²	141.7	81%	0.811	81%	0.807	S	S	*	*			trans	55.3	95.8	132.8	64	0	0	0	0	121
249	A	29.9	Very low	29.8	Very low	100 Å²	100	140.3 Å²	140.3	83%	0.826	81%	0.805	S	S	*	*				-174.7	158.3	126	0	0	0	0	0	112.9
250	S	30.8	Very low	29.6	Very low	110 Å²	110	142.4 Å²	142.4	77%	0.769	81%	0.808	S	S	*	*			trans	66.7	115.6	162.1	-158.5	0	0	0	0	119.5	A252	S250-A252 PolarHBondContact O-N 2.8Å; S250-A252 VanDerWaalsContact O-N 3.08Å
251	L	26.3	Very low	29.4	Very low	160 Å²	160	141.7 Å²	141.7	84%	0.838	81%	0.809	S	S	*	*			trans	-77.6	82.3	169.2	-78.4	165.7	0	0	0	111.5
252	A	29.3	Very low	29.3	Very low	81 Å²	81	138.1 Å²	138.1	67%	0.669	80%	0.803	S	S	*	*			trans	-100.4	87.8	175.9	0	0	0	0	0	112.2	S250 R254	S250-A252 PolarHBondContact O-N 2.8Å; S250-A252 VanDerWaalsContact O-N 3.08Å; A252-R254 PolarHBondContact O-N 3.2Å; A252-R254 VanDerWaalsContact O-N 3.16Å
253	Y	27.9	Very low	29.2	Very low	211 Å²	211	136.5 Å²	136.5	83%	0.827	80%	0.804	S	S	*	*			trans	-62.8	114.3	171.7	-80.6	-84.3	0	0	0	110.9	L255	Y253-L255 PolarHBondContact O-N 3.39Å
254	R	28.1	Very low	29.3	Very low	242 Å²	242	135.5 Å²	135.5	91%	0.913	79%	0.789	S	S	*	*			trans	-71.6	120.2	176.1	-72	-169.9	174	-146.1	-0.5	111	A252 S256	A252-R254 PolarHBondContact O-N 3.2Å; A252-R254 VanDerWaalsContact O-N 3.16Å; R254-S256 PolarHBondContact O-N 2.78Å
255	L	26.7	Very low	29.6	Very low	174 Å²	174	131.1 Å²	131.1	91%	0.911	78%	0.783	S	S	*	*			trans	-76.8	104	167	-72.5	169.5	0	0	0	109.6	Y253 S257	Y253-L255 PolarHBondContact O-N 3.39Å; L255-S257 PolarHBondContact O-N 3.23Å
256	S	28	Very low	30.2	Very low	109 Å²	109	134.5 Å²	134.5	76%	0.762	79%	0.786	S	S	*	*			trans	-83.9	100.7	172.5	56.6	0	0	0	0	111.2	R254 S258	R254-S256 PolarHBondContact O-N 2.78Å; S256-S258 PolarHBondContact O-N 2.8Å
257	S	25.9	Very low	30.7	Very low	113 Å²	113	134.8 Å²	134.8	79%	0.79	78%	0.777	S	S	*	*			trans	-1.5	107.7	161	-51.8	0	0	0	0	118.2	L255	L255-S257 PolarHBondContact O-N 3.23Å
258	S	29.3	Very low	31.2	Very low	114 Å²	114	134.5 Å²	134.5	80%	0.797	77%	0.774	S	S	*	*			trans	-129.7	63.3	157.6	60	0	0	0	0	111	S256 N260	S256-S258 PolarHBondContact O-N 2.8Å; S258-N260 PolarHBondContact O-N 2.82Å
259	L	28.1	Very low	31.7	Very low	167 Å²	167	132 Å²	132	87%	0.874	76%	0.755	S	S	*	*			trans	-67.3	92.2	173	-79.3	161.1	0	0	0	110.2
260	N	30.6	Very low	32.2	Very low	150 Å²	150	131.6 Å²	131.6	80%	0.802	74%	0.744	S	S	*	*			trans	-147.2	110.1	171	-100.5	-36.8	0	0	0	112.6	S258	S258-N260 PolarHBondContact O-N 2.82Å
261	A	27.4	Very low	32.4	Very low	104 Å²	104	131.7 Å²	131.7	86%	0.86	74%	0.742	S	S	*	*			trans	45.4	67.1	153	0	0	0	0	0	119.6
262	T	31.8	Very low	32.8	Very low	116 Å²	116	131.2 Å²	131.2	71%	0.712	74%	0.737	S	S	*	*			trans	-106	93.8	156.2	50.2	0	0	0	0	111	W264	T262-W264 VanDerWaalsContact O-CD1 3.29Å; T262-W264 PolarHBondContact O-N 3.22Å
263	G	30.3	Very low	33	Very low	80 Å²	80	133 Å²	133	83%	0.825	74%	0.74	S	S	*	*			trans	-75.5	100.5	177.1	0	0	0	0	0	111.9	A265	G263-A265 VanDerWaalsContact C-N 3.31Å; G263-A265 PolarHBondContact O-N 2.8Å
264	W	28.8	Very low	33.1	Very low	148 Å²	148	128 Å²	128	56%	0.561	74%	0.736	S	S	*	*			trans	-76	77.2	175.6	-69	88.1	0	0	0	111.4	T262 F266 P453	T262-W264 VanDerWaalsContact O-CD1 3.29Å; T262-W264 PolarHBondContact O-N 3.22Å; W264-F266 WeakPolarHBondContact O-CD2 3.48Å; W264-P453 HydrophobicContact CE3-CG 4.42Å; W264-P453 HydrophobicContact CH2-CG 4.12Å; W264-P453 HydrophobicContact CZ3-CG 3.89Å
265	A	37.7	Very low	33.3	Very low	97 Å²	97	123.5 Å²	123.5	80%	0.802	73%	0.73	S	S	*	*			trans	-72.9	127.9	166.6	0	0	0	0	0	109.8	G263	G263-A265 VanDerWaalsContact C-N 3.31Å; G263-A265 PolarHBondContact O-N 2.8Å
266	F	40.4	Very low	33.5	Very low	166 Å²	166	122.6 Å²	122.6	73%	0.728	73%	0.726	S	S	*	*			trans	-79.4	133.4	-167.1	-72.7	-108.2	0	0	0	112.6	W264 I268	W264-F266 WeakPolarHBondContact O-CD2 3.48Å; F266-I268 HydrophobicContact CB-CB 4.38Å; F266-I268 HydrophobicContact CB-CD1 3.97Å; F266-I268 HydrophobicContact CB-CG1 4.03Å; F266-I268 HydrophobicContact CD1-CD1 3.78Å; F266-I268 HydrophobicContact CD1-CG1 4.41Å; F266-I268 HydrophobicContact CG-CD1 4.16Å; F266-I268 PolarHBondContact O-N 3.41Å
267	R	46.9	Very low	33.8	Very low	143 Å²	143	125.2 Å²	125.2	54%	0.54	73%	0.731	S	S	.	*			trans	-73.3	66.5	157.3	-83.5	-166.2	174.6	173.8	2.9	109.5	D113	D113-R267 IonicContact OD1-CZ 3.65Å; D113-R267 IonicContact OD1-NH1 3.61Å; D113-R267 IonicContact OD1-NH2 2.76Å; D113-R267 PolarHBondContact OD1-NH2 2.86Å; D113-R267 IonicContact OD2-NH2 3.06Å
268	I	42.3	Very low	34	Very low	124 Å²	124	122.9 Å²	122.9	64%	0.636	73%	0.725	S	S	*	*			trans	-109.9	112.7	164.9	-68.8	167.8	0	0	0	106.2	F266	F266-I268 HydrophobicContact CB-CB 4.38Å; F266-I268 HydrophobicContact CB-CD1 3.97Å; F266-I268 HydrophobicContact CB-CG1 4.03Å; F266-I268 HydrophobicContact CD1-CD1 3.78Å; F266-I268 HydrophobicContact CD1-CG1 4.41Å; F266-I268 HydrophobicContact CG-CD1 4.16Å; F266-I268 PolarHBondContact O-N 3.41Å
269	P	39.6	Very low	34.1	Very low	64 Å²	64	125.8 Å²	125.8	42%	0.416	73%	0.726	S	S	.	*	P	Polyproline II helix	trans	-58.3	140.9	170.7	-19	30.4	0	0	0	109.9	Y125	Y125-P269 WeakPolarHBondContact OH-CG 3.15Å
270	P	39.3	Very low	34.1	Very low	90 Å²	90	124 Å²	124	58%	0.584	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-60.6	138.3	170.8	27	-33.3	0	0	0	109.1	M272	P270-M272 HydrophobicContact CG-CE 4.05Å; P270-M272 VanDerWaalsContact O-CE 3.3Å; P270-M272 WeakPolarHBondContact O-CE 3.25Å; P270-M272 PolarHBondContact O-N 3.13Å
271	P	35.6	Very low	34.2	Very low	113 Å²	113	125.8 Å²	125.8	73%	0.734	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-62.2	125.9	178.4	25.8	-33.6	0	0	0	109.7	T273	P271-T273 PolarHBondContact O-N 3.34Å
272	M	34.1	Very low	34.3	Very low	150 Å²	150	131.8 Å²	131.8	74%	0.739	72%	0.72	S	S	*	*			trans	-70.6	98.2	174.4	-66	-65.8	98.8	0	0	109.1	P270 S274	P270-M272 HydrophobicContact CG-CE 4.05Å; P270-M272 VanDerWaalsContact O-CE 3.3Å; P270-M272 WeakPolarHBondContact O-CE 3.25Å; P270-M272 PolarHBondContact O-N 3.13Å; M272-S274 PolarHBondContact O-N 3.09Å; M272-S274 VanDerWaalsContact O-N 3.14Å
273	T	34.4	Very low	34.2	Very low	118 Å²	118	133.4 Å²	133.4	72%	0.724	72%	0.723	S	S	*	*			trans	-71.1	103.5	171.8	51	0	0	0	0	109.2	P271 N275	P271-T273 PolarHBondContact O-N 3.34Å; T273-N275 VanDerWaalsContact C-N 3.3Å; T273-N275 PolarHBondContact O-N 2.77Å
274	S	29	Very low	34.4	Very low	106 Å²	106	137.4 Å²	137.4	74%	0.741	73%	0.725	S	S	*	*			trans	-74	77.6	-179	59.5	0	0	0	0	112	M272 N276	M272-S274 PolarHBondContact O-N 3.09Å; M272-S274 VanDerWaalsContact O-N 3.14Å; S274-N276 PolarHBondContact O-N 2.78Å
275	N	33.5	Very low	34.2	Very low	147 Å²	147	141.5 Å²	141.5	79%	0.786	74%	0.74	S	S	*	*			trans	-80.5	109.7	161.3	-77.6	12.5	0	0	0	108.2	T273 D277	T273-N275 VanDerWaalsContact C-N 3.3Å; T273-N275 PolarHBondContact O-N 2.77Å; N275-D277 PolarHBondContact O-N 3.05Å
276	N	30.6	Very low	34.1	Very low	155 Å²	155	143.3 Å²	143.3	83%	0.829	74%	0.736	S	S	*	*			trans	-71.4	93.4	170	-73.5	-21.7	0	0	0	109.4	S274	S274-N276 PolarHBondContact O-N 2.78Å
277	D	35.3	Very low	33.6	Very low	165 Å²	165	140 Å²	140	88%	0.882	73%	0.733	S	S	*	*			trans	-153.2	149	155.8	-98.7	-41.9	0	0	0	109.5	N275	N275-D277 PolarHBondContact O-N 3.05Å
278	G	28.1	Very low	32.8	Very low	64 Å²	64	140.7 Å²	140.7	66%	0.66	75%	0.747	S	S	*	*			trans	-80.2	171.6	-169.9	0	0	0	0	0	115.6
279	H	31.8	Very low	32.5	Very low	174 Å²	174	140.7 Å²	140.7	81%	0.806	76%	0.759	S	S	*	*			trans	81.3	101.1	173.9	-57	-68.4	0	0	0	118.8
280	D	28.1	Very low	31.9	Very low	131 Å²	131	141.4 Å²	141.4	70%	0.701	78%	0.777	S	S	*	*				38.8	87.4	120.3	-49.4	-47.4	0	0	0	118.7
281	K	33.9	Very low	31.4	Very low	186 Å²	186	148.5 Å²	148.5	81%	0.809	79%	0.792	S	S	*	*				173.8	115	126.9	-91.2	143.8	-159	154.7	0	112.8	L283	K281-L283 PolarHBondContact O-N 3.11Å
282	Y	29.1	Very low	31.1	Very low	231 Å²	231	149.9 Å²	149.9	91%	0.906	80%	0.798	S	S	*	*			trans	-77.2	82	164.9	-73.8	-81.1	0	0	0	111.3
283	L	29.6	Very low	31	Very low	150 Å²	150	147.6 Å²	147.6	79%	0.785	80%	0.797	S	S	*	*			trans	-134.6	79.1	170.8	-84.8	178.1	0	0	0	112	K281 R285	K281-L283 PolarHBondContact O-N 3.11Å; L283-R285 PolarHBondContact O-N 3.15Å; L283-R285 VanDerWaalsContact O-N 3.07Å
284	L	33.6	Very low	30.8	Very low	163 Å²	163	149 Å²	149	85%	0.853	80%	0.8	S	S	*	*			trans	-76.9	89.5	169.8	-73.8	174.2	0	0	0	111.1	L286	L284-L286 PolarHBondContact O-N 2.88Å
285	R	25.9	Very low	30.8	Very low	235 Å²	235	155.1 Å²	155.1	89%	0.887	81%	0.809	S	S	*	*			trans	-66.3	114.5	157.6	-95.3	-174.7	167.5	-174.9	-3.8	108.8	L283	L283-R285 PolarHBondContact O-N 3.15Å; L283-R285 VanDerWaalsContact O-N 3.07Å
286	L	35.4	Very low	30.6	Very low	135 Å²	135	152 Å²	152	71%	0.707	80%	0.799	S	S	*	*			trans	-126	90.8	169	-86.4	165.9	0	0	0	109.6	K5 L284	K5-L286 PolarHBondContact NZ-O 2.91Å; K5-L286 VanDerWaalsContact NZ-O 3.17Å; L284-L286 PolarHBondContact O-N 2.88Å
287	S	29.9	Very low	30.6	Very low	96 Å²	96	152.9 Å²	152.9	67%	0.671	80%	0.798	S	S	*	*			trans	-63.6	171.7	-172.5	-50.7	0	0	0	0	114.5
288	D	29.7	Very low	30.5	Very low	157 Å²	157	151.3 Å²	151.3	84%	0.84	79%	0.794	S	S	*	*			trans	-57.2	134.4	-169.3	-50.3	-71	0	0	0	116.1
289	S	35	Very low	30.4	Very low	125 Å²	125	154.2 Å²	154.2	87%	0.874	80%	0.803	S	S	*	*			trans	-171.7	115.1	131.7	28.1	0	0	0	0	108.9
290	G	27.2	Very low	30.4	Very low	78 Å²	78	152.7 Å²	152.7	80%	0.804	81%	0.806	S	S	*	*			trans	-113.6	118.5	177.6	0	0	0	0	0	110.9
291	R	30	Very low	30.4	Very low	239 Å²	239	151.7 Å²	151.7	90%	0.902	81%	0.809	S	S	*	*			trans	-162.1	119.5	158.9	-111.3	166	-175.4	157.4	1.9	109.7
292	V	29.2	Very low	30.3	Very low	142 Å²	142	150 Å²	150	86%	0.861	82%	0.815	S	S	*	*			trans	-116.7	129.9	156.9	174.8	0	0	0	0	104.6
293	S	31.8	Very low	30.4	Very low	102 Å²	102	144 Å²	144	71%	0.713	81%	0.807	S	S	*	*			trans	-112.3	130.2	178	-58.8	0	0	0	0	108.4
294	D	30.5	Very low	30.4	Very low	148 Å²	148	141.6 Å²	141.6	79%	0.791	81%	0.808	S	S	*	*			trans	-69.5	147.5	179.1	-56	-72	0	0	0	111.8
295	Y	29	Very low	30.4	Very low	234 Å²	234	139.3 Å²	139.3	92%	0.918	80%	0.801	S	S	*	*			trans	-136.9	138.1	160.4	-123.2	-91.6	0	0	0	108.7
296	S	29	Very low	30.6	Very low	83 Å²	83	136 Å²	136	58%	0.58	80%	0.796	S	S	*	*			trans	-140	142.4	-164.6	66.6	0	0	0	0	112.6
297	H	31.5	Very low	30.5	Very low	173 Å²	173	135.8 Å²	135.8	80%	0.801	80%	0.795	S	S	*	*			trans	65.4	158	174.3	-49.2	-64.4	0	0	0	114
298	T	32.3	Very low	30.7	Very low	132 Å²	132	138 Å²	138	81%	0.81	81%	0.805	S	S	*	*			cis	-123.1	169.7	16.1	50.7	0	0	0	0	113.5
299	C	26.7	Very low	30.9	Very low	125 Å²	125	133.9 Å²	133.9	85%	0.845	80%	0.799	S	S	*	*			trans	-113.8	136	174.5	-56.7	0	0	0	0	110.3
300	T	31	Very low	30.7	Very low	141 Å²	141	136.7 Å²	136.7	87%	0.865	80%	0.798	S	S	*	*			trans	-134.8	131.7	159.2	-44.3	0	0	0	0	108.4
301	S	28.8	Very low	31	Very low	110 Å²	110	140.7 Å²	140.7	77%	0.769	80%	0.8	S	S	*	*			trans	-115.1	130.4	-170	55.8	0	0	0	0	112.7
302	T	31.6	Very low	31	Very low	151 Å²	151	136.6 Å²	136.6	93%	0.926	80%	0.796	S	S	*	*			trans	-149.3	160.6	155.6	7.5	0	0	0	0	110.4
303	S	30.3	Very low	31.4	Very low	106 Å²	106	135.2 Å²	135.2	74%	0.741	79%	0.79	S	S	*	*			trans	-123.4	139.6	-157.7	54.5	0	0	0	0	114.1
304	A	29.4	Very low	31.4	Very low	98 Å²	98	137.1 Å²	137.1	81%	0.81	80%	0.797	S	S	*	*			trans	62.3	159.3	161.2	0	0	0	0	0	115.7
305	T	33.9	Very low	31.2	Very low	116 Å²	116	134.9 Å²	134.9	71%	0.712	79%	0.792	S	S	*	*			cis	-139.2	149.2	13.2	45.8	0	0	0	0	112
306	E	31.5	Very low	31.4	Very low	164 Å²	164	128.8 Å²	128.8	77%	0.766	78%	0.783	S	S	*	*			trans	46.5	144.4	137.4	-56.7	-175.4	175.3	0	0	124.6
307	N	33.3	Very low	31.5	Very low	131 Å²	131	129.9 Å²	129.9	70%	0.701	79%	0.787	S	S	*	*			trans	94.1	102.4	146.7	-62.6	-36.4	0	0	0	122.7
308	V	32.8	Very low	31.7	Very low	144 Å²	144	129.5 Å²	129.5	87%	0.873	79%	0.791	S	S	*	*				53	125.7	125	-172.8	0	0	0	0	120.6
309	G	33.4	Very low	31.7	Very low	70 Å²	70	130 Å²	130	72%	0.722	79%	0.788	S	S	*	*			trans	133.9	77.6	166.1	0	0	0	0	0	112.3
310	H	31.8	Very low	32.2	Very low	183 Å²	183	130.5 Å²	130.5	85%	0.847	78%	0.783	S	S	*	*				61.7	89.8	70.1	-149.9	60.3	0	0	0	113.3
311	L	33.7	Very low	32.3	Very low	162 Å²	162	130.5 Å²	130.5	85%	0.848	78%	0.777	S	S	*	*				-179.9	135.7	128.2	-94.1	163.5	0	0	0	112.4
312	N	29.5	Very low	32.6	Very low	153 Å²	153	129.5 Å²	129.5	82%	0.818	77%	0.771	S	S	*	*			trans	-102.1	178.5	166.3	-89.7	-15.5	0	0	0	108.3
313	P	37	Very low	32.8	Very low	113 Å²	113	129.2 Å²	129.2	73%	0.734	76%	0.764	S	S	*	*			cis	-129.1	-158.7	-46.4	39.6	-23.2	0	0	0	109.2
314	V	32.3	Very low	33.2	Very low	142 Å²	142	128.9 Å²	128.9	86%	0.861	76%	0.761	S	S	*	*				179.3	157.3	129.1	145	0	0	0	0	110.5
315	C	26.7	Very low	33.7	Very low	101 Å²	101	130.9 Å²	130.9	68%	0.682	76%	0.758	S	S	*	*			trans	-111.4	149.5	-175.2	-174.9	0	0	0	0	112
316	S	32.9	Very low	34	Very low	106 Å²	106	132.4 Å²	132.4	74%	0.741	76%	0.762	S	S	*	*			trans	-176.8	113.3	142.8	-83.4	0	0	0	0	106.5
317	T	30.5	Very low	34.3	Very low	106 Å²	106	127.7 Å²	127.7	65%	0.65	76%	0.757	S	S	*	*				48.4	116.3	81.3	64.2	0	0	0	0	114.9
318	D	36.4	Very low	34.6	Very low	165 Å²	165	129.8 Å²	129.8	88%	0.882	76%	0.762	S	S	*	*				-158.6	164.5	119.6	-99.9	-29.8	0	0	0	111.5
319	N	32	Very low	34.8	Very low	143 Å²	143	128.8 Å²	128.8	77%	0.765	76%	0.756	S	S	*	*			trans	-118.7	172.4	-168.2	-79.6	-46.8	0	0	0	113.1
320	N	36.5	Very low	35.1	Very low	135 Å²	135	129.1 Å²	129.1	72%	0.722	76%	0.759	S	S	*	*			trans	88.6	110.2	151.5	-57.8	-38.6	0	0	0	120.2
321	N	33.9	Very low	35.2	Very low	141 Å²	141	126.8 Å²	126.8	75%	0.754	75%	0.753	S	S	*	*				83.8	145.2	120	-63.4	-1.3	0	0	0	123.1
322	S	34.9	Very low	35.4	Very low	90 Å²	90	125.9 Å²	125.9	63%	0.629	75%	0.749	S	S	*	*			trans	80.8	116.4	145.5	-82.3	0	0	0	0	120.6
323	D	36.1	Very low	35.7	Very low	145 Å²	145	126.3 Å²	126.3	78%	0.775	75%	0.747	S	S	*	*				53.9	138.9	124.3	-35.6	-37.6	0	0	0	119.8
324	S	38.2	Very low	35.6	Very low	99 Å²	99	127.2 Å²	127.2	69%	0.692	75%	0.745	S	S	*	*			cis	-165	-164.6	-23.2	58.5	0	0	0	0	106.9
325	D	39.3	Very low	35.8	Very low	140 Å²	140	126.7 Å²	126.7	75%	0.749	74%	0.738	S	S	*	*			cis	-165.3	179.9	8	-134.9	-46.6	0	0	0	112.5
326	D	40.3	Very low	36.2	Very low	148 Å²	148	125.9 Å²	125.9	79%	0.791	73%	0.733	S	S	*	*			trans	70.6	138.5	149.2	-122.5	-26.2	0	0	0	125.1
327	G	38.5	Very low	36.2	Very low	64 Å²	64	128 Å²	128	66%	0.66	74%	0.741	S	S	*	*			trans	92.3	139.2	153.2	0	0	0	0	0	120.8
328	H	39.8	Very low	36.1	Very low	175 Å²	175	129 Å²	129	81%	0.81	74%	0.742	S	S	*	*			cis	-165.4	141.9	-15.6	-150.2	47.8	0	0	0	113
329	V	36.9	Very low	35.9	Very low	124 Å²	124	129.3 Å²	129.3	75%	0.752	74%	0.741	S	S	*	*			trans	57	135.7	163	-139.2	0	0	0	0	123
330	G	38.8	Very low	35.8	Very low	76 Å²	76	127.4 Å²	127.4	78%	0.784	74%	0.735	S	S	*	*			trans	133.9	116	139.7	0	0	0	0	0	118.5
331	N	34.8	Very low	35.3	Very low	135 Å²	135	129 Å²	129	72%	0.722	74%	0.744	S	S	*	*			cis	-172.7	169.5	-45.4	-175	18.2	0	0	0	107.2
332	L	38.3	Very low	35.3	Very low	143 Å²	143	129 Å²	129	75%	0.749	74%	0.742	S	S	*	*			trans	76.8	115	-178.1	-48.6	172	0	0	0	113.9
333	M	36.2	Very low	35.1	Very low	161 Å²	161	132.3 Å²	132.3	79%	0.793	75%	0.753	S	S	*	*				70.2	134.7	56	-65.5	-170.4	145.7	0	0	113.4
334	L	35.2	Very low	35.1	Very low	132 Å²	132	134.7 Å²	134.7	69%	0.691	76%	0.756	S	S	*	*			cis	-151	170.7	3.6	-141.3	68.4	0	0	0	107.1
335	D	36.1	Very low	34.7	Very low	132 Å²	132	134.6 Å²	134.6	71%	0.706	76%	0.755	S	S	*	*			cis	-148	-148.1	6.5	-157.6	-26.4	0	0	0	110.6
336	S	33.8	Very low	34.2	Very low	83 Å²	83	134.6 Å²	134.6	58%	0.58	76%	0.756	S	S	*	*			trans	-147.6	148.3	-158.2	60.1	0	0	0	0	115
337	V	34.3	Very low	33.7	Very low	150 Å²	150	133.5 Å²	133.5	91%	0.909	75%	0.754	S	S	*	*			trans	-141.4	134.8	146.6	-179.9	0	0	0	0	107.6
338	I	28.8	Very low	33.2	Very low	128 Å²	128	140.9 Å²	140.9	66%	0.656	76%	0.762	S	S	*	*			trans	-114.9	149.2	-173.6	-65.9	164	0	0	0	109.4
339	I	31.4	Very low	32.9	Very low	171 Å²	171	140.2 Å²	140.2	88%	0.877	76%	0.763	S	S	*	*			trans	-170.5	150	130.9	-95.2	153	0	0	0	110
340	T	30.4	Very low	32.6	Very low	104 Å²	104	140.8 Å²	140.8	64%	0.638	76%	0.757	S	S	*	*			trans	-103.8	151.2	-154.8	51	0	0	0	0	114.9
341	N	26	Very low	32.3	Very low	168 Å²	168	143.3 Å²	143.3	90%	0.898	75%	0.753	S	S	*	*			trans	-60.3	139.7	159.5	-76	-30.7	0	0	0	110.9
342	I	34.3	Very low	32.3	Very low	141 Å²	141	143.1 Å²	143.1	72%	0.723	75%	0.752	S	S	*	*			trans	-136.2	107.1	160.5	-59.9	-178.6	0	0	0	108.1
343	D	29.5	Very low	32.3	Very low	159 Å²	159	141.1 Å²	141.1	85%	0.85	75%	0.746	S	S	*	*			trans	-75.8	134.3	160	-106.7	-47	0	0	0	109.5
344	K	37.1	Very low	32.6	Very low	196 Å²	196	139.9 Å²	139.9	85%	0.852	74%	0.742	S	S	*	*			trans	-162.9	143.8	153.6	-110.2	143.5	-168.6	172.2	0	113.5
345	S	30	Very low	32.4	Very low	96 Å²	96	140.8 Å²	140.8	67%	0.671	75%	0.748	S	S	*	*			trans	-87.5	168.9	-167.2	52.4	0	0	0	0	114.8
346	N	28.9	Very low	32.4	Very low	141 Å²	141	143 Å²	143	75%	0.754	75%	0.751	S	S	*	*			trans	94.2	130.9	145.6	-69.4	-17.2	0	0	0	122.3
347	T	29.8	Very low	32.3	Very low	125 Å²	125	144.2 Å²	144.2	77%	0.767	76%	0.755	S	S	*	*			trans	67.1	98.6	140.3	52.6	0	0	0	0	122.3
348	R	26.1	Very low	32.3	Very low	218 Å²	218	147.1 Å²	147.1	82%	0.823	75%	0.75	S	S	*	*				50	103.4	109.7	-167.6	-166	-151.2	-153.6	7.5	119.4
349	I	33.6	Very low	32.4	Very low	162 Å²	162	147.5 Å²	147.5	83%	0.831	75%	0.752	S	S	*	*			trans	-154.4	124.8	141.4	-91	132.7	0	0	0	105.4
350	H	32	Very low	32.5	Very low	135 Å²	135	144.8 Å²	144.8	63%	0.625	74%	0.743	S	S	*	*				94.1	115.6	52.9	-112.3	-57.3	0	0	0	114.2
351	N	32.2	Very low	32.5	Very low	129 Å²	129	144.8 Å²	144.8	69%	0.69	75%	0.747	S	S	*	*			trans	67	166.8	159.3	-57.3	-5.8	0	0	0	115.6
352	N	34.7	Very low	32.9	Very low	131 Å²	131	141.1 Å²	141.1	70%	0.701	74%	0.735	S	S	*	*			cis	-151.7	162.8	-3.6	-132	21.9	0	0	0	108.5
353	T	37.5	Very low	33.1	Very low	102 Å²	102	142.8 Å²	142.8	63%	0.626	74%	0.74	S	S	*	*			cis	-130.7	-122.1	-6	-28.8	0	0	0	0	107.4
354	D	43.7	Very low	33.1	Very low	135 Å²	135	141.7 Å²	141.7	72%	0.722	74%	0.739	S	S	*	*			cis	-150	164	-15.9	-138.5	-58.1	0	0	0	110.4
355	N	30.2	Very low	33	Very low	150 Å²	150	135.3 Å²	135.3	80%	0.802	73%	0.728	S	S	*	*			trans	-165.4	154.3	177	-139.4	-31.4	0	0	0	114
356	K	35.5	Very low	33.1	Very low	179 Å²	179	137.1 Å²	137.1	78%	0.778	74%	0.735	S	S	*	*			trans	86.2	138.4	154.1	-148.1	-166.8	-176.6	174.4	0	120.8
357	T	32.9	Very low	33.3	Very low	108 Å²	108	136.7 Å²	136.7	66%	0.663	73%	0.733	S	S	*	*			trans	89.9	113.8	144.4	9.6	0	0	0	0	123.7
358	R	32.8	Very low	33.7	Very low	211 Å²	211	135.7 Å²	135.7	80%	0.796	73%	0.727	S	S	*	*				106	122	114.1	-129.5	179.7	-179.6	-160	-2.1	121.4
359	I	31.5	Very low	34.2	Very low	137 Å²	137	131.7 Å²	131.7	70%	0.703	72%	0.722	S	S	*	*			trans	67.8	141.5	140.2	-84.1	174.4	0	0	0	118.2
360	V	33.2	Very low	34.3	Very low	113 Å²	113	129.9 Å²	129.9	69%	0.685	71%	0.714	S	S	*	*			cis	-165	150.3	-14.6	86.5	0	0	0	0	111.5
361	S	31.1	Very low	34.5	Very low	104 Å²	104	128.4 Å²	128.4	73%	0.727	71%	0.714	S	S	*	*			trans	55.5	172	160.4	-51	0	0	0	0	118.3
362	S	33.9	Very low	34.7	Very low	92 Å²	92	129.2 Å²	129.2	64%	0.643	72%	0.718	S	S	*	*			cis	-152.8	156.2	8	-34.2	0	0	0	0	112.3
363	Q	38.2	Very low	34.9	Very low	176 Å²	176	129.3 Å²	129.3	82%	0.822	72%	0.719	S	S	*	*			trans	65.9	160	148.4	-66.4	162.4	23.3	0	0	119.4
364	T	30	Very low	35	Very low	136 Å²	136	130.6 Å²	130.6	83%	0.834	72%	0.721	S	S	*	*				168.8	137.7	-55.5	36.6	0	0	0	0	108.8
365	G	35.3	Very low	34.8	Very low	61 Å²	61	129.1 Å²	129.1	63%	0.629	72%	0.721	S	S	*	*			trans	137.1	114	170.7	0	0	0	0	0	112.5
366	T	33	Very low	35.2	Very low	134 Å²	134	129.6 Å²	129.6	82%	0.822	72%	0.716	S	S	*	*				64	135.1	75.6	63	0	0	0	0	113.2
367	N	33	Very low	35.3	Very low	133 Å²	133	127.3 Å²	127.3	71%	0.711	71%	0.708	S	S	*	*			cis	-162.1	139.5	13.9	-120.4	19.7	0	0	0	108.7
368	V	36.3	Very low	35.4	Very low	104 Å²	104	129.6 Å²	129.6	63%	0.63	72%	0.716	S	S	*	*				94.5	142.7	81	157.8	0	0	0	0	115.4
369	N	38.4	Very low	35.5	Very low	133 Å²	133	123.2 Å²	123.2	71%	0.711	72%	0.716	S	S	*	*			trans	72.6	150.4	171.2	-67.5	-10.5	0	0	0	118.7
370	N	35	Very low	35.5	Very low	125 Å²	125	125.3 Å²	125.3	67%	0.668	72%	0.722	S	S	*	*			cis	-166.9	159.4	-21.2	-107.3	-4.2	0	0	0	111.6
371	T	35.4	Very low	35.3	Very low	104 Å²	104	128.7 Å²	128.7	64%	0.638	73%	0.728	S	S	*	*			trans	42.3	101.6	149.6	61	0	0	0	0	119.5
372	D	37.8	Very low	35.4	Very low	145 Å²	145	129.3 Å²	129.3	78%	0.775	73%	0.728	S	S	*	*				114.2	-175.1	84.6	-72.6	-34.7	0	0	0	109.7
373	D	39.2	Very low	35.1	Very low	133 Å²	133	134.6 Å²	134.6	71%	0.711	74%	0.739	S	S	*	*			cis	-161.9	160.2	19.7	-162.3	22	0	0	0	116.4
374	I	39.5	Very low	35	Very low	130 Å²	130	132.4 Å²	132.4	67%	0.667	74%	0.743	S	S	*	*			trans	29.1	125.8	154.9	-79.9	165.2	0	0	0	125
375	S	37.6	Very low	35.1	Very low	103 Å²	103	135.5 Å²	135.5	72%	0.72	75%	0.745	S	S	*	*			trans	72.9	163.4	148	84.9	0	0	0	0	118.6
376	K	38.6	Very low	34.9	Very low	160 Å²	160	138.4 Å²	138.4	70%	0.696	75%	0.753	S	S	*	*			cis	-175.9	155.4	-7.5	-119.4	-178.1	-178.3	-75.8	0	107.7
377	E	37.8	Very low	34.8	Very low	131 Å²	131	138.9 Å²	138.9	61%	0.612	76%	0.756	S	S	*	*			cis	-144.8	-178.1	-2.8	-52.2	-98.4	42.1	0	0	109.4
378	D	36.6	Very low	34.7	Very low	156 Å²	156	136.6 Å²	136.6	83%	0.834	76%	0.755	S	S	*	*			trans	31.6	135.7	140.7	-61.9	-10.6	0	0	0	124.9
379	G	34.8	Very low	34.4	Very low	77 Å²	77	137.9 Å²	137.9	79%	0.794	77%	0.766	S	S	*	*			trans	157	96.2	155.8	0	0	0	0	0	117
380	H	31.3	Very low	34	Very low	181 Å²	181	137.9 Å²	137.9	84%	0.838	77%	0.77	S	S	*	*			trans	-54.2	136.2	175.4	-83.5	62.6	0	0	0	114.6
381	F	29.2	Very low	33.6	Very low	185 Å²	185	136.5 Å²	136.5	81%	0.811	78%	0.777	S	S	*	*				178.2	159.5	108.2	-112.7	-87	0	0	0	115.3
382	T	31.6	Very low	33.3	Very low	117 Å²	117	139.4 Å²	139.4	72%	0.718	79%	0.787	S	S	*	*			trans	67.9	104.4	160	51.9	0	0	0	0	122.9
383	K	28.8	Very low	32.6	Very low	202 Å²	202	141.2 Å²	141.2	88%	0.878	79%	0.787	S	S	*	*				62.3	102	110.7	-171.8	-170.9	-176.1	179.6	0	120.3
384	S	35.3	Very low	31.9	Very low	130 Å²	130	142.3 Å²	142.3	91%	0.909	79%	0.792	S	S	*	*			trans	-163	-174.7	140.9	60	0	0	0	0	114.5
385	K	32.8	Very low	31.4	Very low	202 Å²	202	141.6 Å²	141.6	88%	0.878	80%	0.799	S	S	*	*			trans	-91.4	177.4	-153.9	-104.4	-175.2	175.3	-179.8	0	115.3
386	P	31.4	Very low	30.9	Very low	122 Å²	122	144.7 Å²	144.7	79%	0.792	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-98.1	170.4	-154.5	39.7	-39.8	0	0	0	117
387	T	30.2	Very low	30.6	Very low	144 Å²	144	146.7 Å²	146.7	88%	0.883	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-97.2	147.1	-178.8	-48.4	0	0	0	0	113
388	A	31.8	Very low	30.2	Very low	84 Å²	84	146.1 Å²	146.1	69%	0.694	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-103.8	162	174.8	0	0	0	0	0	111.5
389	P	30.1	Very low	30.1	Very low	131 Å²	131	146.5 Å²	146.5	85%	0.851	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-82.6	156.5	-157.5	32.3	-36.7	0	0	0	115.7
390	V	29	Very low	30	Very low	133 Å²	133	148.5 Å²	148.5	81%	0.806	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-78.1	140.9	173.4	176.8	0	0	0	0	110.8	I392	V390-I392 HydrophobicContact CG1-CG1 4.3Å
391	A	26.7	Very low	29.8	Very low	97 Å²	97	146.2 Å²	146.2	80%	0.802	80%	0.795	S	S	*	*			trans	-116	139.3	167.1	0	0	0	0	0	110.3
392	I	28.4	Very low	30	Very low	165 Å²	165	145.1 Å²	145.1	85%	0.846	80%	0.797	S	S	*	*			trans	-116.8	142.6	174.3	-59.1	178.1	0	0	0	108.1	V390	V390-I392 HydrophobicContact CG1-CG1 4.3Å
393	K	23.4	Very low	29.8	Very low	183 Å²	183	144.6 Å²	144.6	80%	0.796	80%	0.799	S	S	*	*			trans	-151.5	159.5	-173.3	-163.7	179.4	-178.4	-179.9	0	110.3
394	L	25.6	Very low	30	Very low	155 Å²	155	141.3 Å²	141.3	81%	0.812	80%	0.795	S	S	*	*			trans	79.2	152	176.4	-48	168.6	0	0	0	113.3
395	S	28.4	Very low	29.6	Very low	115 Å²	115	142.1 Å²	142.1	80%	0.804	79%	0.789	S	S	*	*			cis	-136.9	173	13.4	59.4	0	0	0	0	114.6
396	H	27.2	Very low	29.6	Very low	168 Å²	168	138.4 Å²	138.4	78%	0.778	79%	0.789	S	S	*	*			trans	-88.1	161.4	178.3	-79.9	-123.3	0	0	0	113.3
397	K	31.3	Very low	29.5	Very low	203 Å²	203	140.1 Å²	140.1	88%	0.883	79%	0.791	S	S	*	*			trans	-149.2	161.9	139.3	-149.1	168.1	-177	179.2	0	111.2
398	D	30.4	Very low	29.6	Very low	119 Å²	119	140 Å²	140	64%	0.636	79%	0.785	S	S	*	*			trans	-115.1	162.7	-149.4	-53.5	-89.4	0	0	0	117.3
399	Q	34	Very low	29.6	Very low	163 Å²	163	141.8 Å²	141.8	76%	0.762	78%	0.783	S	S	*	*			trans	90.5	139.3	137	-92.3	166.2	60.4	0	0	123.4
400	N	32.1	Very low	29.7	Very low	119 Å²	119	143.5 Å²	143.5	64%	0.636	79%	0.785	S	S	*	*			trans	88.1	87.4	149.6	-61	-20.4	0	0	0	121.5
401	N	28.8	Very low	29.6	Very low	134 Å²	134	144.4 Å²	144.4	72%	0.717	79%	0.785	S	S	*	*				45.2	110	115.7	-51.6	-5.3	0	0	0	119.3
402	N	32	Very low	29.8	Very low	161 Å²	161	145 Å²	145	86%	0.861	78%	0.783	S	S	*	*				-177.3	151.7	96	-92.9	-29.5	0	0	0	114.5
403	S	28.1	Very low	29.8	Very low	107 Å²	107	146 Å²	146	75%	0.748	79%	0.785	S	S	*	*			trans	-30.8	130.9	167.5	178.3	0	0	0	0	117.8
404	V	32.7	Very low	30.1	Very low	132 Å²	132	148 Å²	148	80%	0.8	79%	0.789	S	S	*	*				-171.8	149.5	114.9	145.3	0	0	0	0	109.3
405	D	27.2	Very low	30.2	Very low	147 Å²	147	145.7 Å²	145.7	79%	0.786	79%	0.786	S	S	*	*			trans	-69.3	141.6	-174.9	-49.5	-92.8	0	0	0	114.8
406	S	33.6	Very low	30.3	Very low	124 Å²	124	144.6 Å²	144.6	87%	0.867	78%	0.777	S	S	*	*			trans	-166.3	143.3	150.2	-85.9	0	0	0	0	112.1
407	N	29	Very low	30.4	Very low	159 Å²	159	143.9 Å²	143.9	85%	0.85	78%	0.778	S	S	*	*			trans	-70	139.3	178.4	-60.7	-51.7	0	0	0	112.2
408	N	32.9	Very low	30.4	Very low	140 Å²	140	140.6 Å²	140.6	75%	0.749	78%	0.775	S	S	*	*			trans	-164.2	133.3	135.5	-114.2	-43.3	0	0	0	114.9
409	N	30.5	Very low	30.4	Very low	122 Å²	122	138.9 Å²	138.9	65%	0.652	77%	0.769	S	S	*	*			trans	11.9	130.2	151.8	-54.6	-17.5	0	0	0	120.5
410	N	31.9	Very low	30.3	Very low	168 Å²	168	135.8 Å²	135.8	90%	0.898	76%	0.757	S	S	*	*			trans	-141	122.9	138.2	-93.9	-67	0	0	0	109.4
411	N	28.1	Very low	30.3	Very low	151 Å²	151	133.8 Å²	133.8	81%	0.807	76%	0.758	S	S	*	*			trans	-89.4	128.7	-169.8	-64.2	-18.5	0	0	0	112.7
412	S	29.7	Very low	30.6	Very low	109 Å²	109	137.1 Å²	137.1	76%	0.762	76%	0.762	S	S	*	*			trans	-155.6	23.4	153.8	60.7	0	0	0	0	113.6	Y414	S412-Y414 PolarHBondContact O-N 2.85Å; S412-Y414 VanDerWaalsContact O-N 3.15Å
413	E	29.7	Very low	30.8	Very low	188 Å²	188	132.4 Å²	132.4	88%	0.879	74%	0.736	S	S	*	*			trans	-76.8	100.2	-178.7	-167.5	165.5	-138.4	0	0	110.9	S415	E413-S415 PolarHBondContact O-N 2.64Å; E413-S415 VanDerWaalsContact O-N 3.11Å
414	Y	29.5	Very low	31.2	Very low	225 Å²	225	131.7 Å²	131.7	88%	0.882	72%	0.723	S	S	*	*			trans	-72.9	100.1	175.5	-97.2	-91.8	0	0	0	110.3	S412 C416	S412-Y414 PolarHBondContact O-N 2.85Å; S412-Y414 VanDerWaalsContact O-N 3.15Å; Y414-C416 PolarHBondContact O-N 2.85Å
415	S	27	Very low	31.2	Very low	106 Å²	106	132.9 Å²	132.9	74%	0.741	72%	0.718	S	S	*	*			trans	-70.7	80.1	-176.2	60.4	0	0	0	0	113.3	E413	E413-S415 PolarHBondContact O-N 2.64Å; E413-S415 VanDerWaalsContact O-N 3.11Å
416	C	29.9	Very low	31.9	Very low	92 Å²	92	132.6 Å²	132.6	62%	0.622	71%	0.712	S	S	*	*			trans	-99.8	61.7	174.3	-169.1	0	0	0	0	111.4	Y414	Y414-C416 PolarHBondContact O-N 2.85Å
417	L	29.4	Very low	32.3	Very low	152 Å²	152	129.2 Å²	129.2	80%	0.796	68%	0.684	S	S	*	*			trans	-139.2	23.9	-177.2	-70.3	176.3	0	0	0	113.4
418	V	31.8	Very low	32.7	Very low	134 Å²	134	126.4 Å²	126.4	81%	0.812	67%	0.668	S	S	*	*	S	Bend	trans	-130.7	-6.5	-173.6	-169.7	0	0	0	0	113
419	T	31.3	Very low	32.8	Very low	84 Å²	84	124.8 Å²	124.8	52%	0.515	66%	0.659	S	S	.	*			trans	-92.7	-18.4	-172.6	32.9	0	0	0	0	115.1	A421 Y422	T419-A421 PolarHBondContact O-N 3.16Å; T419-Y422 PolarHBondContact O-N 3.4Å
420	D	30.6	Very low	33	Very low	97 Å²	97	124.7 Å²	124.7	52%	0.519	65%	0.653	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83	3.8	-146.7	-51.5	-7.1	0	0	0	114.3
421	A	33	Very low	33.2	Very low	78 Å²	78	124.5 Å²	124.5	65%	0.645	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-24.2	179.2	0	0	0	0	0	114.4	T419	T419-A421 PolarHBondContact O-N 3.16Å
422	Y	35.4	Very low	33.5	Very low	204 Å²	204	125 Å²	125	80%	0.8	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	-30.6	-175.1	-80.3	-85.5	0	0	0	113.8	T419 I424	T419-Y422 PolarHBondContact O-N 3.4Å; Y422-I424 PolarHBondContact O-N 2.98Å
423	D	35.9	Very low	33.5	Very low	61 Å²	61	122.9 Å²	122.9	33%	0.326	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.2	-5.5	-175.5	-115.5	37.3	0	0	0	115.4	K37	K37-D423 IonicContact NZ-OD1 3.22Å; K37-D423 IonicContact NZ-OD2 2.77Å; K37-D423 PolarHBondContact NZ-OD2 2.95Å
424	I	36.8	Very low	33.5	Very low	92 Å²	92	121.4 Å²	121.4	47%	0.472	65%	0.648	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.6	-22.3	-173.8	-61.9	174	0	0	0	112.3	Y422	Y422-I424 PolarHBondContact O-N 2.98Å
425	F	32.4	Very low	33.7	Very low	158 Å²	158	117.4 Å²	117.4	69%	0.693	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-31	-175.7	-83.7	-85.9	0	0	0	115.1	I428	F425-I428 PolarHBondContact O-N 3.16Å
426	E	40.8	Very low	33.7	Very low	140 Å²	140	121.2 Å²	121.2	65%	0.654	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-72.1	-33.8	-172	-62.8	-157.6	146.5	0	0	114.1	I428 N429	E426-I428 PolarHBondContact O-N 2.72Å; E426-N429 PolarHBondContact O-N 2.78Å
427	D	42.4	Very low	33.8	Very low	53 Å²	53	126.6 Å²	126.6	28%	0.283	66%	0.655	S	S	.	*	G	3₁₀ helix	trans	-61.7	-16.6	179	-82.6	-19	0	0	0	113.1	Y47 K112	Y47-D427 PolarHBondContact OH-OD1 3.15Å; K112-D427 IonicContact NZ-OD2 2.64Å; K112-D427 PolarHBondContact NZ-OD2 3.29Å
428	I	38.1	Very low	34.2	Very low	100 Å²	100	125 Å²	125	51%	0.513	65%	0.654	S	S	.	*	G	3₁₀ helix	trans	-84.1	-23	-177.7	-59.5	178.1	0	0	0	112.3	F425 E426 F430 M439	F425-I428 PolarHBondContact O-N 3.16Å; E426-I428 PolarHBondContact O-N 2.72Å; I428-F430 PolarHBondContact O-N 3.28Å; I428-M439 HydrophobicContact CG2-CE 4.48Å
429	N	34.4	Very low	34.5	Very low	106 Å²	106	123.8 Å²	123.8	57%	0.567	64%	0.641	S	S	*	*	S	Bend	trans	-83.3	-0.5	-168.5	-92.4	-19.7	0	0	0	115.8	E426 N431	E426-N429 PolarHBondContact O-N 2.78Å; N429-N431 PolarHBondContact O-N 2.76Å
430	F	34.3	Very low	35	Very low	121 Å²	121	123.6 Å²	123.6	53%	0.531	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.1	76.2	-172.2	-78.7	-91.8	0	0	0	114.1	R45 I428	R45-F430 VanDerWaalsContact NH1-CZ 3.33Å; R45-F430 VanDerWaalsContact NH2-CD2 3.29Å; I428-F430 PolarHBondContact O-N 3.28Å
431	N	36.1	Very low	35.4	Very low	164 Å²	164	123.4 Å²	123.4	88%	0.877	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-171.7	10.9	144.9	-104.1	-21.4	0	0	0	116.1	N429	N429-N431 PolarHBondContact O-N 2.76Å
432	N	34.7	Very low	36	Very low	161 Å²	161	124.3 Å²	124.3	86%	0.861	63%	0.629	S	S	*	*	S	Bend	trans	-152.6	136.8	164.6	-109.4	-27.5	0	0	0	110.2
433	G	29.3	Very low	36.2	Very low	65 Å²	65	117 Å²	117	67%	0.67	61%	0.607	S	S	*	*			trans	-74.1	157.5	176.2	0	0	0	0	0	112.6
434	N	29.6	Very low	36.5	Very low	157 Å²	157	118.5 Å²	118.5	84%	0.84	62%	0.615	S	S	*	*	S	Bend	trans	51.8	79.4	163.9	-60.1	-9	0	0	0	116.1
435	N	33.8	Very low	36.6	Very low	141 Å²	141	121.4 Å²	121.4	75%	0.754	62%	0.62	S	S	*	*				180	130.5	119.7	-97.8	-66.6	0	0	0	111.3	R437	N435-R437 PolarHBondContact O-N 3.23Å
436	H	28.4	Very low	37	Very low	185 Å²	185	119.3 Å²	119.3	86%	0.856	61%	0.611	S	S	*	*			trans	-70.9	96.5	169.4	-125.6	-64.7	0	0	0	109.2
437	R	31	Very low	37.1	Very low	205 Å²	205	117.1 Å²	117.1	77%	0.774	60%	0.603	S	S	*	*			trans	-119.8	138.5	169.3	-76	-174.9	173.4	-119.6	-1.7	109.7	N435	N435-R437 PolarHBondContact O-N 3.23Å
438	P	37.6	Very low	36.9	Very low	120 Å²	120	116.8 Å²	116.8	78%	0.779	61%	0.605	S	S	*	*			trans	-61.5	150.8	169.7	28.7	-34.5	0	0	0	109.9	D440	P438-D440 PolarHBondContact O-N 3.01Å; P438-D440 VanDerWaalsContact O-N 3.12Å
439	M	38.4	Very low	37.1	Very low	107 Å²	107	118.1 Å²	118.1	53%	0.527	61%	0.608	S	S	.	*			trans	-34.4	114	179.5	-100.4	-77	-176.4	0	0	112.1	I428 C443 L447	I428-M439 HydrophobicContact CG2-CE 4.48Å; M439-C443 HydrophobicContact CE-CB 4.45Å; M439-C443 HydrophobicContact SD-CB 3.49Å; M439-C443 WeakPolarHBondContact SD-CB 3.49Å; M439-L447 HydrophobicContact CE-CD1 4.4Å
440	D	42.9	Very low	37.5	Very low	80 Å²	80	120.4 Å²	120.4	43%	0.428	61%	0.614	S	S	.	*			trans	-81.5	159.3	-177.7	76.7	-8.2	0	0	0	111.9	P438 L442 C443 L444	P438-D440 PolarHBondContact O-N 3.01Å; P438-D440 VanDerWaalsContact O-N 3.12Å; D440-L442 PolarHBondContact O-N 2.96Å; D440-L442 VanDerWaalsContact O-N 3.08Å; D440-L442 PolarHBondContact OD1-N 3.48Å; D440-C443 PolarHBondContact O-N 3.11Å; D440-C443 VanDerWaalsContact O-N 3.12Å; D440-C443 VanDerWaalsContact OD1-CB 3.32Å; D440-C443 WeakPolarHBondContact OD1-CB 3.41Å; D440-C443 PolarHBondContact OD1-N 3.28Å; D440-C443 PolarHBondContact OD1-SG 3.3Å; D440-L444 PolarHBondContact O-N 3.46Å
441	D	38.6	Very low	37.7	Very low	93 Å²	93	116.4 Å²	116.4	50%	0.497	60%	0.601	S	S	.	*	H	α-helix	trans	-63.8	-16.1	-179.4	-158.5	50.9	0	0	0	111.9	R445	D441-R445 WeakPolarHBondContact O-CB 3.33Å; D441-R445 WeakPolarHBondContact O-CD 3.46Å; D441-R445 WeakPolarHBondContact O-CG 3.49Å; D441-R445 PolarHBondContact O-N 3.28Å; D441-R445 VanDerWaalsContact O-N 3.11Å; D441-R445 PolarHBondContact O-NE 3.38Å; D441-R445 IonicContact OD2-CZ 2.74Å; D441-R445 IonicContact OD2-NE 3.62Å; D441-R445 PolarHBondContact OD2-NE 3.07Å; D441-R445 IonicContact OD2-NH2 2.9Å; D441-R445 PolarHBondContact OD2-NH2 2.78Å
442	L	44.6	Very low	38	Very low	98 Å²	98	111.5 Å²	111.5	51%	0.513	58%	0.577	S	S	.	*	H	α-helix	trans	-78	-40.7	174.7	-173.5	62.5	0	0	0	112.3	D440 R445 K446	D440-L442 PolarHBondContact O-N 2.96Å; D440-L442 VanDerWaalsContact O-N 3.08Å; D440-L442 PolarHBondContact OD1-N 3.48Å; L442-R445 PolarHBondContact O-N 3.43Å; L442-K446 WeakPolarHBondContact O-CG 3.42Å; L442-K446 PolarHBondContact O-N 3.04Å
443	C	40.2	Very low	38	Very low	49 Å²	49	107.4 Å²	107.4	33%	0.331	56%	0.559	S	S	.	*	H	α-helix	trans	-65.4	-39.7	171.5	-82.2	0	0	0	0	111.8	M439 D440 R445 K446 L447	M439-C443 HydrophobicContact CE-CB 4.45Å; M439-C443 HydrophobicContact SD-CB 3.49Å; M439-C443 WeakPolarHBondContact SD-CB 3.49Å; D440-C443 PolarHBondContact O-N 3.11Å; D440-C443 VanDerWaalsContact O-N 3.12Å; D440-C443 VanDerWaalsContact OD1-CB 3.32Å; D440-C443 WeakPolarHBondContact OD1-CB 3.41Å; D440-C443 PolarHBondContact OD1-N 3.28Å; D440-C443 PolarHBondContact OD1-SG 3.3Å; C443-R445 PolarHBondContact O-N 2.97Å; C443-K446 PolarHBondContact O-N 2.81Å; C443-L447 WeakPolarHBondContact O-CG 3.48Å; C443-L447 PolarHBondContact O-N 3.05Å
444	L	42.7	Very low	38.2	Very low	94 Å²	94	110.5 Å²	110.5	49%	0.492	56%	0.556	S	S	.	*	H	α-helix	trans	-61.1	-43.1	171.6	-68.8	176.7	0	0	0	111.9	D440 L447 S448	D440-L444 PolarHBondContact O-N 3.46Å; L444-L447 PolarHBondContact O-N 3.09Å; L444-S448 PolarHBondContact O-N 3.26Å
445	R	39.2	Very low	38.4	Very low	152 Å²	152	104.4 Å²	104.4	57%	0.574	53%	0.527	S	S	*	.	H	α-helix	trans	-62.2	-41.1	173	-71.4	162.9	-162.7	-148.2	5.6	112.3	D441 L442 C443 S448 Q449	D441-R445 WeakPolarHBondContact O-CB 3.33Å; D441-R445 WeakPolarHBondContact O-CD 3.46Å; D441-R445 WeakPolarHBondContact O-CG 3.49Å; D441-R445 PolarHBondContact O-N 3.28Å; D441-R445 VanDerWaalsContact O-N 3.11Å; D441-R445 PolarHBondContact O-NE 3.38Å; D441-R445 IonicContact OD2-CZ 2.74Å; D441-R445 IonicContact OD2-NE 3.62Å; D441-R445 PolarHBondContact OD2-NE 3.07Å; D441-R445 IonicContact OD2-NH2 2.9Å; D441-R445 PolarHBondContact OD2-NH2 2.78Å; L442-R445 PolarHBondContact O-N 3.43Å; C443-R445 PolarHBondContact O-N 2.97Å; R445-S448 WeakPolarHBondContact O-CB 3.5Å; R445-S448 PolarHBondContact O-N 3.19Å; R445-S448 PolarHBondContact O-OG 3.28Å; R445-Q449 PolarHBondContact O-N 3.07Å
446	K	40.4	Very low	38.5	Very low	115 Å²	115	102.2 Å²	102.2	50%	0.5	51%	0.509	S	S	.	.	H	α-helix	trans	-63	-45.4	173.3	-75.4	177.6	178.8	177.3	0	112	L442 C443 S448 Q449 F450	L442-K446 WeakPolarHBondContact O-CG 3.42Å; L442-K446 PolarHBondContact O-N 3.04Å; C443-K446 PolarHBondContact O-N 2.81Å; K446-S448 VanDerWaalsContact C-N 3.28Å; K446-S448 PolarHBondContact O-N 3.15Å; K446-Q449 WeakPolarHBondContact O-CB 3.28Å; K446-Q449 PolarHBondContact O-N 2.8Å; K446-F450 WeakPolarHBondContact O-CD2 3.38Å; K446-F450 PolarHBondContact O-N 3.46Å
447	L	41.7	Very low	38.8	Very low	94 Å²	94	102.5 Å²	102.5	49%	0.492	50%	0.502	S	S	.	.	H	α-helix	trans	-59.1	-39.1	175.2	-72.8	169.2	0	0	0	111.6	M439 C443 L444 Q449 F450 S451	M439-L447 HydrophobicContact CE-CD1 4.4Å; C443-L447 WeakPolarHBondContact O-CG 3.48Å; C443-L447 PolarHBondContact O-N 3.05Å; L444-L447 PolarHBondContact O-N 3.09Å; L447-Q449 PolarHBondContact O-N 3.41Å; L447-F450 PolarHBondContact O-N 2.97Å; L447-F450 VanDerWaalsContact O-N 3.08Å; L447-S451 WeakPolarHBondContact O-CB 3.31Å; L447-S451 PolarHBondContact O-N 3.19Å
448	S	38.1	Very low	39.1	Very low	46 Å²	46	98 Å²	98	32%	0.322	49%	0.492	S	S	.	.	H	α-helix	trans	-60.9	-26.5	173.6	86	0	0	0	0	113.9	L444 R445 K446 R456	L444-S448 PolarHBondContact O-N 3.26Å; R445-S448 WeakPolarHBondContact O-CB 3.5Å; R445-S448 PolarHBondContact O-N 3.19Å; R445-S448 PolarHBondContact O-OG 3.28Å; K446-S448 VanDerWaalsContact C-N 3.28Å; K446-S448 PolarHBondContact O-N 3.15Å; S448-R456 PolarHBondContact O-NE 3.17Å
449	Q	42.5	Very low	39	Very low	127 Å²	127	95.9 Å²	95.9	59%	0.593	48%	0.48	S	S	*	.	H	α-helix	trans	-78.5	-26	176.3	-66.2	176.1	7.4	0	0	112.3	R445 K446 L447 R456	R445-Q449 PolarHBondContact O-N 3.07Å; K446-Q449 WeakPolarHBondContact O-CB 3.28Å; K446-Q449 PolarHBondContact O-N 2.8Å; L447-Q449 PolarHBondContact O-N 3.41Å; Q449-R456 PolarHBondContact O-NH2 3.33Å
450	F	43.8	Very low	39	Very low	155 Å²	155	99.2 Å²	99.2	68%	0.68	49%	0.492	S	S	*	.	H	α-helix	trans	-99.1	-13.5	178.1	-63.5	-66.9	0	0	0	114.6	K446 L447	K446-F450 WeakPolarHBondContact O-CD2 3.38Å; K446-F450 PolarHBondContact O-N 3.46Å; L447-F450 PolarHBondContact O-N 2.97Å; L447-F450 VanDerWaalsContact O-N 3.08Å
451	S	37.3	Very low	38.8	Very low	36 Å²	36	101.6 Å²	101.6	25%	0.252	50%	0.503	S	S	.	.	S	Bend	trans	-78.6	155.3	177.2	76.1	0	0	0	0	113.1	L447 R456	L447-S451 WeakPolarHBondContact O-CB 3.31Å; L447-S451 PolarHBondContact O-N 3.19Å; S451-R456 PolarHBondContact O-NE 2.97Å
452	T	44.1	Very low	38.4	Very low	61 Å²	61	100.5 Å²	100.5	37%	0.374	50%	0.497	S	S	.	.			trans	-66.4	163.1	-175.7	64	0	0	0	0	112.5	Q454 A455 R456	T452-Q454 PolarHBondContact O-N 3.03Å; T452-Q454 VanDerWaalsContact O-N 3.09Å; T452-A455 PolarHBondContact O-N 3.17Å; T452-A455 PolarHBondContact OG1-N 3.19Å; T452-R456 PolarHBondContact O-N 2.92Å
453	P	33.1	Very low	38.1	Very low	76 Å²	76	101.9 Å²	101.9	49%	0.494	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-22.2	177.2	-24.4	35.9	0	0	0	113.9	W264 R457	W264-P453 HydrophobicContact CE3-CG 4.42Å; W264-P453 HydrophobicContact CH2-CG 4.12Å; W264-P453 HydrophobicContact CZ3-CG 3.89Å; P453-R457 PolarHBondContact O-N 3.41Å
454	Q	33.6	Very low	37.9	Very low	129 Å²	129	107.6 Å²	107.6	60%	0.603	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-48.6	171.7	-76.9	160	-75.7	0	0	111.7	T452 R456 R457	T452-Q454 PolarHBondContact O-N 3.03Å; T452-Q454 VanDerWaalsContact O-N 3.09Å; Q454-R456 VanDerWaalsContact C-N 3.26Å; Q454-R456 PolarHBondContact O-N 2.96Å; Q454-R457 WeakPolarHBondContact O-CB 3.17Å; Q454-R457 PolarHBondContact O-N 3.04Å
455	A	34.9	Very low	37.5	Very low	29 Å²	29	109.2 Å²	109.2	24%	0.24	54%	0.541	C	S	.	.	H	α-helix	trans	-59.2	-37.3	175.3	0	0	0	0	0	112.1	T452 R457 I458 S459	T452-A455 PolarHBondContact O-N 3.17Å; T452-A455 PolarHBondContact OG1-N 3.19Å; A455-R457 PolarHBondContact O-N 3.1Å; A455-I458 PolarHBondContact O-N 3.18Å; A455-S459 PolarHBondContact O-N 3.32Å
456	R	35.3	Very low	37.1	Very low	96 Å²	96	108.7 Å²	108.7	36%	0.362	55%	0.549	S	S	.	.	H	α-helix	trans	-69.3	-9.9	173.8	-64.1	-174.3	-170.3	180	4.6	115.3	S448 Q449 S451 T452 Q454 S459	S448-R456 PolarHBondContact O-NE 3.17Å; Q449-R456 PolarHBondContact O-NH2 3.33Å; S451-R456 PolarHBondContact O-NE 2.97Å; T452-R456 PolarHBondContact O-N 2.92Å; Q454-R456 VanDerWaalsContact C-N 3.26Å; Q454-R456 PolarHBondContact O-N 2.96Å; R456-S459 PolarHBondContact O-OG 3.27Å
457	R	35.2	Very low	36.5	Very low	191 Å²	191	113.7 Å²	113.7	72%	0.721	57%	0.565	S	S	*	*	H	α-helix	trans	-81.5	-40	169.8	-77	180	177.1	167.6	0.1	111.3	P453 Q454 A455 S459 K460	P453-R457 PolarHBondContact O-N 3.41Å; Q454-R457 WeakPolarHBondContact O-CB 3.17Å; Q454-R457 PolarHBondContact O-N 3.04Å; A455-R457 PolarHBondContact O-N 3.1Å; R457-S459 VanDerWaalsContact C-N 3.35Å; R457-S459 PolarHBondContact O-N 3.03Å; R457-K460 PolarHBondContact O-N 3.06Å; R457-K460 VanDerWaalsContact O-N 3.11Å
458	I	36.4	Very low	36	Very low	110 Å²	110	113.7 Å²	113.7	56%	0.564	57%	0.568	S	S	*	*	H	α-helix	trans	-64	-41.7	-178.6	-56.7	177.8	0	0	0	110.4	A455 K460 I461	A455-I458 PolarHBondContact O-N 3.18Å; I458-K460 PolarHBondContact O-N 3.26Å; I458-I461 PolarHBondContact O-N 3.01Å
459	S	36.4	Very low	35.5	Very low	75 Å²	75	116.1 Å²	116.1	52%	0.524	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.6	5.9	175.8	71.7	0	0	0	0	115.3	A455 R456 R457	A455-S459 PolarHBondContact O-N 3.32Å; R456-S459 PolarHBondContact O-OG 3.27Å; R457-S459 VanDerWaalsContact C-N 3.35Å; R457-S459 PolarHBondContact O-N 3.03Å
460	K	38.8	Very low	34.8	Very low	178 Å²	178	118.7 Å²	118.7	77%	0.774	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.9	-2.3	171.1	-67.4	-173	175.7	-171	0	113.1	R457 I458 N462	R457-K460 PolarHBondContact O-N 3.06Å; R457-K460 VanDerWaalsContact O-N 3.11Å; I458-K460 PolarHBondContact O-N 3.26Å; K460-N462 PolarHBondContact O-N 3.19Å
461	I	38.1	Very low	34	Very low	130 Å²	130	117.8 Å²	117.8	67%	0.667	59%	0.593	S	S	*	*	S	Bend	trans	-86	94.2	175.6	-59.4	176.4	0	0	0	108.4	I458	I458-I461 PolarHBondContact O-N 3.01Å
462	N	29.3	Very low	33.8	Very low	69 Å²	69	120.9 Å²	120.9	37%	0.369	62%	0.615	S	S	.	*			trans	48.8	88.3	171.2	-167	0.5	0	0	0	116.9	K460 Q464 N465	K460-N462 PolarHBondContact O-N 3.19Å; N462-Q464 PolarHBondContact O-N 3.25Å; N462-Q464 WeakPolarHBondContact OD1-CA 3.22Å; N462-Q464 VanDerWaalsContact OD1-CB 3.23Å; N462-Q464 WeakPolarHBondContact OD1-CB 3.3Å; N462-Q464 PolarHBondContact OD1-N 3.02Å; N462-N465 PolarHBondContact ND2-ND2 2.83Å; N462-N465 PolarHBondContact ND2-OD1 3.38Å; N462-N465 PolarHBondContact O-N 3.07Å
463	T	37.9	Very low	33.1	Very low	127 Å²	127	125.5 Å²	125.5	78%	0.779	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-2.5	171.5	46	0	0	0	0	115.3
464	Q	36.9	Very low	33.3	Very low	170 Å²	170	129.6 Å²	129.6	79%	0.794	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-15.9	179.8	-52.2	-179.6	-9.6	0	0	113.3	N462	N462-Q464 PolarHBondContact O-N 3.25Å; N462-Q464 WeakPolarHBondContact OD1-CA 3.22Å; N462-Q464 VanDerWaalsContact OD1-CB 3.23Å; N462-Q464 WeakPolarHBondContact OD1-CB 3.3Å; N462-Q464 PolarHBondContact OD1-N 3.02Å
465	N	34.4	Very low	33.3	Very low	127 Å²	127	126.9 Å²	126.9	68%	0.679	66%	0.66	S	S	*	*	S	Bend	trans	-101.4	-11.1	-174.3	-78.4	11.7	0	0	0	115.2	N462 R467	N462-N465 PolarHBondContact ND2-ND2 2.83Å; N462-N465 PolarHBondContact ND2-OD1 3.38Å; N462-N465 PolarHBondContact O-N 3.07Å; N465-R467 PolarHBondContact O-N 3.1Å
466	L	30.7	Very low	33.2	Very low	141 Å²	141	135.6 Å²	135.6	74%	0.738	69%	0.693	S	S	*	*			trans	-82	56.8	-176.2	-100	167	0	0	0	113.7	V468	L466-V468 VanDerWaalsContact C-N 3.33Å; L466-V468 HydrophobicContact CD2-CG2 3.82Å; L466-V468 PolarHBondContact O-N 3.13Å; L466-V468 VanDerWaalsContact O-N 3.11Å
467	R	27.5	Very low	33.2	Very low	221 Å²	221	142.9 Å²	142.9	83%	0.834	72%	0.72	S	S	*	*			trans	-83.8	74.6	171.3	-164	-179.9	-163.6	168.4	6	110.6	N465 T469	N465-R467 PolarHBondContact O-N 3.1Å; R467-T469 HydrophobicContact CG-CG2 4.49Å; R467-T469 PolarHBondContact O-N 3.14Å
468	V	31.6	Very low	33.1	Very low	94 Å²	94	141 Å²	141	57%	0.57	73%	0.725	S	S	*	*			trans	-67.1	95.2	177.3	-177.3	0	0	0	0	110.1	L466 F470	L466-V468 VanDerWaalsContact C-N 3.33Å; L466-V468 HydrophobicContact CD2-CG2 3.82Å; L466-V468 PolarHBondContact O-N 3.13Å; L466-V468 VanDerWaalsContact O-N 3.11Å; V468-F470 HydrophobicContact CG1-CD2 4.11Å; V468-F470 HydrophobicContact CG1-CE2 3.79Å; V468-F470 HydrophobicContact CG1-CZ 4.15Å; V468-F470 PolarHBondContact O-N 2.91Å
469	T	27.2	Very low	33.2	Very low	97 Å²	97	147.8 Å²	147.8	60%	0.595	74%	0.743	S	S	*	*			trans	-78.2	96.8	174.5	49.8	0	0	0	0	110.1	R467 N471	R467-T469 HydrophobicContact CG-CG2 4.49Å; R467-T469 PolarHBondContact O-N 3.14Å; T469-N471 PolarHBondContact O-N 2.94Å
470	F	28.7	Very low	33.4	Very low	181 Å²	181	153.4 Å²	153.4	79%	0.794	76%	0.758	S	S	*	*			trans	-65.8	94.4	167.1	-74.3	-84.9	0	0	0	110	V468 S472	V468-F470 HydrophobicContact CG1-CD2 4.11Å; V468-F470 HydrophobicContact CG1-CE2 3.79Å; V468-F470 HydrophobicContact CG1-CZ 4.15Å; V468-F470 PolarHBondContact O-N 2.91Å; F470-S472 VanDerWaalsContact C-N 3.25Å; F470-S472 PolarHBondContact O-N 3.2Å
471	N	26.3	Very low	33	Very low	135 Å²	135	156.9 Å²	156.9	72%	0.722	77%	0.766	S	S	*	*			trans	-74.4	75.6	174.3	-85.3	-11.8	0	0	0	111	T469 N473	T469-N471 PolarHBondContact O-N 2.94Å; N471-N473 PolarHBondContact O-N 2.99Å
472	S	33.9	Very low	32.9	Very low	102 Å²	102	155.9 Å²	155.9	71%	0.713	77%	0.771	S	S	*	*			trans	-73.7	68.4	170.7	47	0	0	0	0	111.7	F470 L474	F470-S472 VanDerWaalsContact C-N 3.25Å; F470-S472 PolarHBondContact O-N 3.2Å; S472-L474 PolarHBondContact O-N 3.05Å
473	N	29.2	Very low	33.3	Very low	158 Å²	158	162 Å²	162	85%	0.845	79%	0.794	S	S	*	*			trans	-71.3	65.2	172	-92.2	-23.5	0	0	0	111.6	N471	N471-N473 PolarHBondContact O-N 2.99Å
474	L	38	Very low	33.4	Very low	162 Å²	162	164.6 Å²	164.6	85%	0.848	80%	0.797	S	S	*	*			trans	-111.5	115.7	177.9	-92.5	167.3	0	0	0	112.1	S472	S472-L474 PolarHBondContact O-N 3.05Å
475	G	32.9	Very low	33.4	Very low	71 Å²	71	166.1 Å²	166.1	73%	0.732	80%	0.796	S	S	*	*			trans	46.4	85	147.7	0	0	0	0	0	118.9	R477	G475-R477 PolarHBondContact O-N 3.45Å; G475-R477 VanDerWaalsContact O-N 3.12Å
476	K	31.8	Very low	33.6	Very low	213 Å²	213	168.8 Å²	168.8	93%	0.926	81%	0.809	S	S	*	*			trans	-58.4	113.5	164.3	-63.9	172	-176.7	170.2	0	110.9
477	R	36.1	Very low	34	Very low	248 Å²	248	172.8 Å²	172.8	94%	0.936	81%	0.814	S	S	*	*			trans	-126.2	108.5	161.6	-91.3	-174.6	166.6	173.7	-3.3	111.1	G475	G475-R477 PolarHBondContact O-N 3.45Å; G475-R477 VanDerWaalsContact O-N 3.12Å
478	N	33	Very low	34.3	Very low	152 Å²	152	166.4 Å²	166.4	81%	0.813	81%	0.809	S	S	*	*			trans	-70.3	133.4	176.5	-72.5	-62.7	0	0	0	111.5
479	R	39.4	Very low	34.6	Very low	253 Å²	253	168.2 Å²	168.2	96%	0.955	83%	0.826	S	S	*	*			trans	-123.4	140.5	151.4	-79.8	-175.7	166.4	169.7	-4.9	108.8
480	K	39.2	Very low	35.3	Very low	192 Å²	192	169 Å²	169	84%	0.835	84%	0.835	S	S	*	*			trans	-112.7	153	-170.8	-70.8	176.9	176.3	174.1	0	110.8
481	R	30.2	Very low	35.9	Very low	251 Å²	251	164.7 Å²	164.7	95%	0.947	83%	0.832	S	S	*	*			trans	67.3	160.5	168.2	-80.7	177	162.3	174.8	-7.3	114.7
482	S	36	Very low	36.5	Very low	109 Å²	109	163.3 Å²	163.3	76%	0.762	83%	0.834	S	S	*	*			cis	-115.2	-170.4	7.3	73.9	0	0	0	0	113.9
483	K	38.5	Very low	36.9	Very low	198 Å²	198	164.6 Å²	164.6	86%	0.861	84%	0.839	S	S	*	*			trans	-134.8	115.4	177	-74.3	-175.2	177	-176.6	0	110.4
484	H	41.1	Very low	37.5	Very low	182 Å²	182	162.5 Å²	162.5	84%	0.843	84%	0.837	S	S	*	*			trans	-137.9	116.5	153.3	-92.2	-110.9	0	0	0	105.4
485	R	35.3	Very low	37.5	Very low	202 Å²	202	164.6 Å²	164.6	76%	0.762	83%	0.834	S	S	*	*				77.5	71.9	56.8	-161.2	-166.1	-164.2	-161.1	7.2	112.9
486	L	40.3	Very low	37.8	Very low	182 Å²	182	166.1 Å²	166.1	95%	0.953	83%	0.825	S	S	*	*			trans	-105.7	155.5	146.3	-71.7	174.9	0	0	0	109.1
487	R	38.1	Very low	38.3	Very low	226 Å²	226	164 Å²	164	85%	0.853	82%	0.816	S	S	*	*			trans	-124.4	152.3	-163.9	-163.7	177.6	-173.1	-179.7	-0.2	110.4
488	A	33.3	Very low	38.5	Very low	87 Å²	87	158.9 Å²	158.9	72%	0.719	81%	0.807	S	S	*	*			trans	-64.6	156.6	-178	0	0	0	0	0	113.8
489	S	38.4	Very low	39	Very low	132 Å²	132	158.9 Å²	158.9	92%	0.923	81%	0.806	S	S	*	*			trans	-139.5	152.7	140.7	-81.9	0	0	0	0	109
490	S	41.1	Very low	39.2	Very low	114 Å²	114	151.7 Å²	151.7	80%	0.797	79%	0.792	S	S	*	*			trans	-146.8	158.2	-170.6	56.6	0	0	0	0	111.2
491	A	41.6	Very low	39.2	Very low	89 Å²	89	150.6 Å²	150.6	74%	0.736	80%	0.795	S	S	*	*			trans	78	116.6	167.6	0	0	0	0	0	118.2
492	S	39.8	Very low	39.6	Very low	107 Å²	107	141.6 Å²	141.6	75%	0.748	78%	0.781	S	S	*	*			trans	60	110.2	130.8	-51.4	0	0	0	0	121
493	P	41.9	Very low	40	Very low	128 Å²	128	141.3 Å²	141.3	83%	0.831	78%	0.779	S	S	*	*			trans	-84.3	143.9	153.7	34.9	-31	0	0	0	111.4
494	S	40.9	Very low	40.3	Very low	114 Å²	114	140.5 Å²	140.5	80%	0.797	78%	0.778	S	S	*	*			trans	-146.6	97.8	169.8	-76.4	0	0	0	0	111.4
495	R	38.6	Very low	40.6	Very low	206 Å²	206	140.9 Å²	140.9	78%	0.777	78%	0.78	S	S	*	*			trans	47.8	137	153.8	-73.7	-159.3	66	144.6	5.3	122.2
496	D	40.3	Very low	41.1	Very low	104 Å²	104	140.1 Å²	140.1	56%	0.556	79%	0.785	S	S	*	*			trans	92.5	120.6	138.3	-68.5	-17.1	0	0	0	122.4
497	F	40.5	Very low	41.7	Very low	168 Å²	168	139.6 Å²	139.6	74%	0.737	78%	0.783	S	S	*	*			trans	91.2	111.2	137.4	-85.9	-128	0	0	0	122.4
498	L	41.3	Very low	42.1	Very low	140 Å²	140	136.5 Å²	136.5	73%	0.733	78%	0.784	S	S	*	*			trans	65.6	153.7	146	-46.2	176.1	0	0	0	118.4
499	L	44.1	Very low	43.1	Very low	152 Å²	152	140.7 Å²	140.7	80%	0.796	79%	0.794	S	S	*	*			cis	-158.1	157.4	-26.5	-102.5	172.7	0	0	0	106.4
500	P	43.2	Very low	43.3	Very low	102 Å²	102	142.2 Å²	142.2	66%	0.662	79%	0.792	S	S	*	*			trans	-95.8	168.2	-174.9	38.7	-35.6	0	0	0	114.4
501	N	39.5	Very low	43.6	Very low	170 Å²	170	146.7 Å²	146.7	91%	0.909	80%	0.8	S	S	*	*			trans	-180	156	144.7	-95.5	-12.5	0	0	0	112.9
502	G	38.8	Very low	43.5	Very low	62 Å²	62	151.6 Å²	151.6	64%	0.639	81%	0.808	S	S	*	*			trans	94.8	120.9	173.6	0	0	0	0	0	113.7
503	S	43.3	Very low	43.6	Very low	103 Å²	103	155.8 Å²	155.8	72%	0.72	82%	0.816	S	S	*	*			cis	77.7	131.5	47.9	79.7	0	0	0	0	112.3
504	E	44.4	Very low	43.4	Very low	180 Å²	180	155.5 Å²	155.5	84%	0.841	81%	0.812	S	S	*	*			cis	-165.3	-161.3	-5.6	-127.9	150.9	-127.7	0	0	108.4
505	E	48.9	Very low	43.4	Very low	190 Å²	190	158 Å²	158	89%	0.888	82%	0.816	S	S	*	*			trans	80.3	144.4	165.5	-63.8	170.8	-175.5	0	0	117.9
506	E	44.4	Very low	43.5	Very low	186 Å²	186	155.1 Å²	155.1	87%	0.869	82%	0.816	S	S	*	*			trans	-123.4	159.8	-170.8	-58.1	167.3	140.7	0	0	107.5
507	D	53.7	Low	43.4	Very low	172 Å²	172	158.7 Å²	158.7	92%	0.92	83%	0.834	S	S	*	*			trans	-169.2	142.1	149.1	-98.4	-29.6	0	0	0	109.5
508	D	46.1	Very low	43.2	Very low	160 Å²	160	154.6 Å²	154.6	86%	0.856	83%	0.827	S	S	*	*			trans	-95.3	151.1	177.2	-64.9	-60.2	0	0	0	111
509	D	54.7	Low	42.9	Very low	175 Å²	175	154.4 Å²	154.4	94%	0.936	83%	0.826	S	S	*	*			trans	-156.1	126	156	-105.1	-32.6	0	0	0	109.7
510	D	42.5	Very low	42.4	Very low	165 Å²	165	156.5 Å²	156.5	88%	0.882	83%	0.829	S	S	*	*			trans	-90	133.4	174.2	-75.5	-56.8	0	0	0	110.4
511	E	46.4	Very low	41.9	Very low	207 Å²	207	158 Å²	158	97%	0.967	84%	0.836	S	S	*	*			trans	-150.3	144.6	151.8	-128.5	171	-149.2	0	0	112.3
512	E	40.7	Very low	41.6	Very low	193 Å²	193	156.5 Å²	156.5	90%	0.902	82%	0.824	S	S	*	*			trans	-118.8	117.9	-164.9	178.7	-178.6	-129.5	0	0	110.5
513	E	41.2	Very low	41.3	Very low	195 Å²	195	163.9 Å²	163.9	91%	0.911	84%	0.839	S	S	*	*			trans	-139.2	147.3	165.6	-159.9	166.6	-141.7	0	0	112
514	T	37.9	Very low	40.8	Very low	121 Å²	121	164.5 Å²	164.5	74%	0.742	83%	0.834	S	S	*	*			trans	-93.2	154.7	-165	53.2	0	0	0	0	113.9
515	D	41.2	Very low	40.2	Very low	166 Å²	166	163 Å²	163	89%	0.888	83%	0.832	S	S	*	*			trans	-156.7	150.8	137.5	-121.1	-18.7	0	0	0	113.1
516	D	39.9	Very low	39.5	Very low	146 Å²	146	163.3 Å²	163.3	78%	0.781	83%	0.833	S	S	*	*			trans	-79.3	146.9	-168.3	-86.7	-57.7	0	0	0	115.5
517	L	37.8	Very low	39	Very low	179 Å²	179	158.5 Å²	158.5	94%	0.937	82%	0.82	S	S	*	*			trans	-162.7	129.8	131.1	-109.9	158.1	0	0	0	112.6
518	S	37	Very low	38.1	Very low	83 Å²	83	159.1 Å²	159.1	58%	0.58	82%	0.818	S	S	*	*			trans	-115.1	169	-160.5	57.5	0	0	0	0	115.2
519	N	36.1	Very low	37.6	Very low	136 Å²	136	158.2 Å²	158.2	73%	0.727	81%	0.813	S	S	*	*			trans	72.1	128.6	174.3	-46.5	-62	0	0	0	115.1
520	F	32.1	Very low	36.7	Very low	196 Å²	196	156.8 Å²	156.8	86%	0.86	80%	0.804	S	S	*	*			cis	-139	139.5	30.8	-96.4	-95.2	0	0	0	113.5
521	T	33.5	Very low	36.3	Very low	132 Å²	132	155 Å²	155	81%	0.81	80%	0.798	S	S	*	*			trans	-131.5	166.1	165.5	52.7	0	0	0	0	111.1
522	H	33.1	Very low	35.7	Very low	140 Å²	140	152.9 Å²	152.9	65%	0.648	79%	0.786	S	S	*	*			trans	77.8	84.8	155.4	-120.8	-79.9	0	0	0	120.8
523	F	32.4	Very low	35.8	Very low	217 Å²	217	150.2 Å²	150.2	95%	0.952	78%	0.783	S	S	*	*			trans	-155.4	80.3	139.7	-100.7	-73.8	0	0	0	106.7
524	N	32.9	Very low	35.5	Very low	115 Å²	115	148 Å²	148	62%	0.615	77%	0.772	S	S	*	*				78.2	138.8	61.7	-157.8	16.8	0	0	0	113.7
525	N	31.6	Very low	35.5	Very low	149 Å²	149	153.4 Å²	153.4	80%	0.797	80%	0.797	S	S	*	*			trans	-85.8	128	-161.9	-64.5	-68.7	0	0	0	113.9
526	Q	34.9	Very low	35.3	Very low	196 Å²	196	152.8 Å²	152.8	92%	0.916	79%	0.792	S	S	*	*			trans	-170.8	144.6	141.9	-104	162.2	15.3	0	0	108.3
527	S	33.4	Very low	35	Very low	86 Å²	86	153.2 Å²	153.2	60%	0.601	79%	0.793	S	S	*	*			cis	-146.6	144.7	2.4	49.3	0	0	0	0	110.8	N529	S527-N529 PolarHBondContact OG-ND2 3.28Å
528	Q	34.1	Very low	34.9	Very low	185 Å²	185	151.7 Å²	151.7	86%	0.864	79%	0.785	S	S	*	*			trans	-76.7	121.9	159.9	-68.9	179.8	-3.7	0	0	107.7
529	N	36.2	Very low	34.7	Very low	141 Å²	141	155.8 Å²	155.8	75%	0.754	80%	0.797	S	S	*	*			trans	-117	108	169.6	-92.2	-47	0	0	0	109.8	S527	S527-N529 PolarHBondContact OG-ND2 3.28Å
530	I	34.8	Very low	34.7	Very low	144 Å²	144	157 Å²	157	74%	0.738	80%	0.801	S	S	*	*			trans	-74.3	126.7	174	-65	166.8	0	0	0	108.3	K532	I530-K532 HydrophobicContact CG2-CG 4.2Å
531	V	36.1	Very low	34.8	Very low	127 Å²	127	154.4 Å²	154.4	77%	0.77	80%	0.797	S	S	*	*			trans	-118.2	101.5	156	-179.2	0	0	0	0	107.5	V533	V531-V533 HydrophobicContact CG1-CG2 4.42Å
532	K	32.6	Very low	34.9	Very low	163 Å²	163	156 Å²	156	71%	0.709	80%	0.796	S	S	*	*			trans	-69.6	128.8	158	-73.1	-177.5	174.2	-174.2	0	107.2	I530	I530-K532 HydrophobicContact CG2-CG 4.2Å
533	V	43.6	Very low	35.1	Very low	138 Å²	138	157.2 Å²	157.2	84%	0.836	81%	0.808	S	S	*	*			trans	-99.6	129	149.3	-178.9	0	0	0	0	105.4	V531	V531-V533 HydrophobicContact CG1-CG2 4.42Å
534	Q	35.1	Very low	35.3	Very low	149 Å²	149	152.3 Å²	152.3	70%	0.696	80%	0.796	S	S	*	*			trans	-141.1	92.1	-176.2	-180	175.4	-17.9	0	0	108.2
535	D	38.2	Very low	35.5	Very low	234 Å²	234	155.6 Å²	155.6	100%	1.251	81%	0.812	S	S	*	*			trans	-169.9	0	145.5	-88.8	-19.7	0	0	0	107.6

Retrieved 535 of 535 residues in 108.2 ms (Link to these results)

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