A0A3Q0KTC2_SCHMA Loading...

POU domain protein

AlphaFold DB , UniProt , Accession A0A3Q0KTC2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 878 aa.

						>A0A3Q0KTC2_SCHMA|A0A3Q0KTC2
MKEAASTANFAAAMRDAQEICKIAHAYDGLPLSLDHNNLSGSVPNRSGILKAYSLSNISSTDYQTLKTGDNSNQETPFFQKDMPVDRKDIHGSSVSSSHTNVYPSASNIHDERVVQRPLPSSTVPIKETIPVKLDEELSQKSQNPNVCPFSYEPIGSKTTTTTTPDTSHHLHERNTFIHDTDYASSDNYLSSSWSTIPPTQHSAPKSCLDNWNNECSNVAVVSRHQIQRNFNLFTDTKPYYQSLQPKSHISTNPYLFCTSHSDIEVASTTSLLTQQSSLTNSSQYTCESGYFSAGIGTPVGFRSFPPTNSLQHQLKTPFSANITEQIRQAQTPYSVVDWRRTASDSSIHHTLSDIQLNPIEQYTYGPGKTEKSHILSPRSIMSSDHYFRPACKLRGVEEEETSNILTPMDDTDTKRACMTRRHRDTHLLDNSHFVHTELPTNESHLMPPKRPYTCSTESQSSNGFDTVACDMKMCTPHMDNSGGTMEKKNIDSIVDTALKHHKSWKIRSSVYNPHSLEQPMNKPIYPCISNKNNNIMPTNSKYSDLIDPSSSLSTASSHSFHLNQDNYSFGGTHLHNLPLQHAESHRGNLVNMLNASGGVARSGTTSSSGVGVCGGGGSGSSIQDNTTTDDLFLRNTSTGNNDLDEYLQLPNLICKADESTYHFAGRRDSCTMTAEILSNLASFRDEIGEFNDGKIHSDIIPVSSNFGSHFVHIPNRTGVYNPMHNDDINTINKNIKQKTTHLHNNMVPSDSLIHPTTSNHTITTTSITNTNTTTTTTNTTTTTSSSNNNSNIYTVDRCRLQNMHFIQSHSGGEVNNNNNNDTILTNSSIPTIYSSCVHHVGDKIGISMSPNDYRLLTDPRLINYVTDKETEAKLINQ
					

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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	54.3	Low	61.7	Low	171 Å²	171	85.7 Å²	85.7	84%	0.842	47%	0.466	S	S	*	.				0	-98.3	0	-62.9	-170.2	-171.1	0	0	113.4	E3 A4 A5	M1-E3 VanDerWaalsContact C-N 3.31Å; M1-E3 PolarHBondContact O-N 2.88Å; M1-E3 VanDerWaalsContact O-N 3.11Å; M1-A4 PolarHBondContact O-N 3.11Å; M1-A5 PolarHBondContact O-N 3.02Å
2	K	58.6	Low	62.5	Low	196 Å²	196	81.3 Å²	81.3	85%	0.852	45%	0.449	S	S	*	.	H	α-helix	trans	-50.4	-44	-168.2	-77.9	-166.8	176.3	-173.8	0	114.9	A5 S6	K2-A5 PolarHBondContact O-N 2.99Å; K2-S6 PolarHBondContact O-N 2.89Å; K2-S6 VanDerWaalsContact O-N 3.07Å
3	E	52.3	Low	63.3	Low	166 Å²	166	76.7 Å²	76.7	78%	0.776	43%	0.429	S	S	*	.	H	α-helix	trans	-64.6	-49.7	177.7	-171.3	169.9	-164.1	0	0	112.4	M1 A5 S6 T7	M1-E3 VanDerWaalsContact C-N 3.31Å; M1-E3 PolarHBondContact O-N 2.88Å; M1-E3 VanDerWaalsContact O-N 3.11Å; E3-A5 VanDerWaalsContact C-N 3.31Å; E3-A5 PolarHBondContact O-N 3.04Å; E3-S6 WeakPolarHBondContact O-CA 3.49Å; E3-S6 WeakPolarHBondContact O-CB 3.43Å; E3-S6 PolarHBondContact O-N 3.36Å; E3-T7 PolarHBondContact O-N 3.27Å; E3-T7 PolarHBondContact O-OG1 3.31Å
4	A	52.6	Low	63.6	Low	29 Å²	29	73.6 Å²	73.6	24%	0.24	41%	0.41	C	S	.	.	H	α-helix	trans	-58.8	-38.3	175.9	0	0	0	0	0	113.1	M1 T7 A8	M1-A4 PolarHBondContact O-N 3.11Å; A4-T7 PolarHBondContact O-N 3.46Å; A4-A8 WeakPolarHBondContact O-CB 3.38Å; A4-A8 PolarHBondContact O-N 3.47Å
5	A	59.2	Low	64.1	Low	48 Å²	48	75.9 Å²	75.9	40%	0.397	41%	0.41	S	S	.	.	H	α-helix	trans	-65.5	-39.1	173.9	0	0	0	0	0	112.1	M1 K2 E3 A8 N9	M1-A5 PolarHBondContact O-N 3.02Å; K2-A5 PolarHBondContact O-N 2.99Å; E3-A5 VanDerWaalsContact C-N 3.31Å; E3-A5 PolarHBondContact O-N 3.04Å; A5-A8 PolarHBondContact O-N 3.2Å; A5-N9 WeakPolarHBondContact O-CB 3.48Å; A5-N9 PolarHBondContact O-N 3.07Å; A5-N9 PolarHBondContact O-OD1 3.05Å
6	S	63.2	Low	64.6	Low	79 Å²	79	74.1 Å²	74.1	55%	0.552	40%	0.4	S	S	*	.	H	α-helix	trans	-63.3	-41.3	173.3	-164.7	0	0	0	0	111.8	K2 E3 F10	K2-S6 PolarHBondContact O-N 2.89Å; K2-S6 VanDerWaalsContact O-N 3.07Å; E3-S6 WeakPolarHBondContact O-CA 3.49Å; E3-S6 WeakPolarHBondContact O-CB 3.43Å; E3-S6 PolarHBondContact O-N 3.36Å; S6-F10 WeakPolarHBondContact O-CB 3.35Å; S6-F10 PolarHBondContact O-N 3.19Å
7	T	65.3	Low	64.9	Low	67 Å²	67	72.2 Å²	72.2	41%	0.411	40%	0.396	S	S	.	.	H	α-helix	trans	-65.4	-40.6	176.4	-54.7	0	0	0	0	111.9	E3 A4 F10 A11	E3-T7 PolarHBondContact O-N 3.27Å; E3-T7 PolarHBondContact O-OG1 3.31Å; A4-T7 PolarHBondContact O-N 3.46Å; T7-F10 PolarHBondContact O-N 2.88Å; T7-A11 WeakPolarHBondContact O-CB 3.43Å; T7-A11 PolarHBondContact O-N 3.32Å
8	A	65.4	Low	65.2	Low	33 Å²	33	71.9 Å²	71.9	27%	0.273	39%	0.392	S	S	.	.	H	α-helix	trans	-65.6	-45.4	176	0	0	0	0	0	112.3	A4 A5 F10 A11 A12	A4-A8 WeakPolarHBondContact O-CB 3.38Å; A4-A8 PolarHBondContact O-N 3.47Å; A5-A8 PolarHBondContact O-N 3.2Å; A8-F10 VanDerWaalsContact C-N 3.3Å; A8-F10 PolarHBondContact O-N 3.47Å; A8-A11 PolarHBondContact O-N 3.47Å; A8-A12 PolarHBondContact O-N 3.36Å
9	N	69.5	Low	65.4	Low	66 Å²	66	74.4 Å²	74.4	35%	0.353	40%	0.4	S	S	.	.	H	α-helix	trans	-65.2	-33.5	177.2	-72.5	10.1	0	0	0	112.3	A5 A13	A5-N9 WeakPolarHBondContact O-CB 3.48Å; A5-N9 PolarHBondContact O-N 3.07Å; A5-N9 PolarHBondContact O-OD1 3.05Å; N9-A13 WeakPolarHBondContact O-CB 3.32Å; N9-A13 PolarHBondContact O-N 2.79Å
10	F	70.5	Confident	65.8	Low	76 Å²	76	74.8 Å²	74.8	33%	0.333	40%	0.401	S	S	.	.	H	α-helix	trans	-67.6	-46.2	171.9	-177	-101.7	0	0	0	111.6	S6 T7 A8 A12 A13 M14 D853	S6-F10 WeakPolarHBondContact O-CB 3.35Å; S6-F10 PolarHBondContact O-N 3.19Å; T7-F10 PolarHBondContact O-N 2.88Å; A8-F10 VanDerWaalsContact C-N 3.3Å; A8-F10 PolarHBondContact O-N 3.47Å; F10-A12 VanDerWaalsContact C-N 3.29Å; F10-A12 PolarHBondContact O-N 3.19Å; F10-A13 PolarHBondContact O-N 3.41Å; F10-M14 HydrophobicContact CD1-CG 3.97Å; F10-M14 HydrophobicContact CE1-CE 4.32Å; F10-M14 HydrophobicContact CE1-CG 3.74Å; F10-M14 HydrophobicContact CE1-SD 3.95Å; F10-M14 HydrophobicContact CE2-CG 4.36Å; F10-M14 HydrophobicContact CE2-SD 4.39Å; F10-M14 HydrophobicContact CG-CG 4.38Å; F10-M14 HydrophobicContact CZ-CG 3.95Å; F10-M14 HydrophobicContact CZ-SD 3.75Å; F10-M14 WeakPolarHBondContact O-CB 3.33Å; F10-M14 WeakPolarHBondContact O-CG 3.5Å; F10-M14 PolarHBondContact O-N 3.35Å; F10-D853 HydrophobicContact CZ-CB 4.41Å
11	A	68.2	Low	65.9	Low	12 Å²	12	74.1 Å²	74.1	10%	0.099	40%	0.402	C	S	.	.	H	α-helix	trans	-60.3	-36.7	176.2	0	0	0	0	0	112.9	T7 A8 R15 V866	T7-A11 WeakPolarHBondContact O-CB 3.43Å; T7-A11 PolarHBondContact O-N 3.32Å; A8-A11 PolarHBondContact O-N 3.47Å; A11-R15 WeakPolarHBondContact O-CB 3.4Å; A11-R15 PolarHBondContact O-N 3.35Å; A11-R15 VanDerWaalsContact O-N 3.14Å; A11-V866 HydrophobicContact CB-CG1 3.64Å
12	A	70.6	Confident	66.6	Low	32 Å²	32	72.4 Å²	72.4	26%	0.264	39%	0.39	S	S	.	.	H	α-helix	trans	-65.1	-53.2	172.4	0	0	0	0	0	111.7	A8 F10 M14 R15 D16	A8-A12 PolarHBondContact O-N 3.36Å; F10-A12 VanDerWaalsContact C-N 3.29Å; F10-A12 PolarHBondContact O-N 3.19Å; A12-M14 PolarHBondContact O-N 2.94Å; A12-R15 WeakPolarHBondContact O-CA 3.19Å; A12-R15 VanDerWaalsContact O-CB 3.3Å; A12-R15 WeakPolarHBondContact O-CB 3.27Å; A12-R15 PolarHBondContact O-N 2.96Å; A12-D16 PolarHBondContact O-N 3.14Å
13	A	73.5	Confident	67.1	Low	22 Å²	22	66.9 Å²	66.9	18%	0.182	37%	0.369	C	S	.	.	H	α-helix	trans	-59.7	-34.8	178.7	0	0	0	0	0	113	N9 F10 A17	N9-A13 WeakPolarHBondContact O-CB 3.32Å; N9-A13 PolarHBondContact O-N 2.79Å; F10-A13 PolarHBondContact O-N 3.41Å; A13-A17 VanDerWaalsContact O-CB 3.3Å; A13-A17 WeakPolarHBondContact O-CB 3.4Å; A13-A17 PolarHBondContact O-N 3.13Å
14	M	66.9	Low	67.7	Low	33 Å²	33	61 Å²	61	16%	0.163	35%	0.349	C	S	.	.	H	α-helix	trans	-64.7	-37.4	173.3	-72.2	-84.7	-70.4	0	0	112.5	F10 A12 Q18 L857	F10-M14 HydrophobicContact CD1-CG 3.97Å; F10-M14 HydrophobicContact CE1-CE 4.32Å; F10-M14 HydrophobicContact CE1-CG 3.74Å; F10-M14 HydrophobicContact CE1-SD 3.95Å; F10-M14 HydrophobicContact CE2-CG 4.36Å; F10-M14 HydrophobicContact CE2-SD 4.39Å; F10-M14 HydrophobicContact CG-CG 4.38Å; F10-M14 HydrophobicContact CZ-CG 3.95Å; F10-M14 HydrophobicContact CZ-SD 3.75Å; F10-M14 WeakPolarHBondContact O-CB 3.33Å; F10-M14 WeakPolarHBondContact O-CG 3.5Å; F10-M14 PolarHBondContact O-N 3.35Å; A12-M14 PolarHBondContact O-N 2.94Å; M14-Q18 WeakPolarHBondContact O-CG 3.44Å; M14-Q18 PolarHBondContact O-N 3.34Å; M14-Q18 VanDerWaalsContact O-N 3.12Å; M14-L857 HydrophobicContact CE-CD2 3.61Å; M14-L857 HydrophobicContact CE-CG 3.78Å; M14-L857 HydrophobicContact SD-CD1 4.32Å; M14-L857 HydrophobicContact SD-CD2 3.52Å; M14-L857 VanDerWaalsContact SD-CD2 3.52Å; M14-L857 HydrophobicContact SD-CG 3.75Å
15	R	71	Confident	68.1	Low	109 Å²	109	65 Å²	65	41%	0.411	36%	0.362	S	S	.	.	H	α-helix	trans	-68.2	-47.5	175.8	-176.1	-179.6	-68.4	152.8	-3.5	110.6	A11 A12 A17 Q18 E19 E872	A11-R15 WeakPolarHBondContact O-CB 3.4Å; A11-R15 PolarHBondContact O-N 3.35Å; A11-R15 VanDerWaalsContact O-N 3.14Å; A12-R15 WeakPolarHBondContact O-CA 3.19Å; A12-R15 VanDerWaalsContact O-CB 3.3Å; A12-R15 WeakPolarHBondContact O-CB 3.27Å; A12-R15 PolarHBondContact O-N 2.96Å; R15-A17 PolarHBondContact O-N 3.44Å; R15-Q18 PolarHBondContact O-N 3.08Å; R15-E19 PolarHBondContact O-N 2.99Å; R15-E872 IonicContact CZ-OE1 3.19Å; R15-E872 IonicContact CZ-OE2 3.62Å; R15-E872 IonicContact NH1-OE1 2.71Å; R15-E872 PolarHBondContact NH1-OE1 3.02Å; R15-E872 IonicContact NH1-OE2 2.69Å; R15-E872 VanDerWaalsContact NH2-CD 3.33Å; R15-E872 IonicContact NH2-OE1 3.43Å; R15-E872 PolarHBondContact NH2-OE1 2.92Å; R15-E872 IonicContact NH2-OE2 2.85Å; R15-E872 PolarHBondContact NH2-OE2 2.94Å
16	D	72.2	Confident	67.9	Low	47 Å²	47	65.9 Å²	65.9	25%	0.251	37%	0.369	S	S	.	.	H	α-helix	trans	-58.1	-49.1	176.2	-59.5	-12.3	0	0	0	111	A12 Q18 E19 I20 T674	A12-D16 PolarHBondContact O-N 3.14Å; D16-Q18 VanDerWaalsContact C-N 3.34Å; D16-Q18 PolarHBondContact O-N 3.17Å; D16-E19 PolarHBondContact O-N 3.06Å; D16-E19 VanDerWaalsContact O-N 3.09Å; D16-I20 WeakPolarHBondContact O-CG1 3.48Å; D16-I20 PolarHBondContact O-N 3.25Å; D16-T674 HydrophobicContact CB-CG2 4.4Å; D16-T674 VanDerWaalsContact OD2-CG2 3.3Å; D16-T674 WeakPolarHBondContact OD2-CG2 3.43Å; D16-T674 PolarHBondContact OD2-OG1 3.3Å
17	A	70.9	Confident	67.2	Low	41 Å²	41	69.3 Å²	69.3	34%	0.339	37%	0.371	S	S	.	.	H	α-helix	trans	-61.6	-38.8	178.7	0	0	0	0	0	112.7	A13 R15 E19 C21	A13-A17 VanDerWaalsContact O-CB 3.3Å; A13-A17 WeakPolarHBondContact O-CB 3.4Å; A13-A17 PolarHBondContact O-N 3.13Å; R15-A17 PolarHBondContact O-N 3.44Å; A17-E19 VanDerWaalsContact C-N 3.34Å; A17-C21 WeakPolarHBondContact O-CB 3.39Å; A17-C21 PolarHBondContact O-N 3.36Å; A17-C21 PolarHBondContact O-SG 3.08Å
18	Q	69	Low	66.5	Low	67 Å²	67	71.7 Å²	71.7	31%	0.313	38%	0.381	S	S	.	.	H	α-helix	trans	-67.5	-32.7	173.7	-76.5	-176.4	18.7	0	0	113.1	M14 R15 D16 K22	M14-Q18 WeakPolarHBondContact O-CG 3.44Å; M14-Q18 PolarHBondContact O-N 3.34Å; M14-Q18 VanDerWaalsContact O-N 3.12Å; R15-Q18 PolarHBondContact O-N 3.08Å; D16-Q18 VanDerWaalsContact C-N 3.34Å; D16-Q18 PolarHBondContact O-N 3.17Å; Q18-K22 VanDerWaalsContact O-CD 3.3Å; Q18-K22 WeakPolarHBondContact O-CD 3.33Å; Q18-K22 WeakPolarHBondContact O-CG 3.29Å; Q18-K22 PolarHBondContact O-N 3.28Å; Q18-K22 VanDerWaalsContact O-N 3.15Å
19	E	70.3	Confident	65.4	Low	119 Å²	119	73 Å²	73	56%	0.556	40%	0.399	S	S	*	.	H	α-helix	trans	-72.3	-45.3	175.9	-171.3	155.4	-176.3	0	0	110.9	R15 D16 A17 C21 K22 I23	R15-E19 PolarHBondContact O-N 2.99Å; D16-E19 PolarHBondContact O-N 3.06Å; D16-E19 VanDerWaalsContact O-N 3.09Å; A17-E19 VanDerWaalsContact C-N 3.34Å; E19-C21 VanDerWaalsContact C-N 3.34Å; E19-C21 PolarHBondContact O-N 2.79Å; E19-K22 PolarHBondContact O-N 3.31Å; E19-K22 VanDerWaalsContact O-N 3.12Å; E19-I23 HydrophobicContact CG-CD1 3.92Å; E19-I23 WeakPolarHBondContact O-CB 3.47Å; E19-I23 VanDerWaalsContact O-CG1 3.3Å; E19-I23 WeakPolarHBondContact O-CG1 3.34Å; E19-I23 PolarHBondContact O-N 2.73Å
20	I	73.2	Confident	63.8	Low	82 Å²	82	74.8 Å²	74.8	42%	0.421	41%	0.407	S	S	.	.	H	α-helix	trans	-56.2	-45.3	172.1	-67.2	165.4	0	0	0	111.1	D16 K22 I23 A24	D16-I20 WeakPolarHBondContact O-CG1 3.48Å; D16-I20 PolarHBondContact O-N 3.25Å; I20-K22 PolarHBondContact O-N 2.81Å; I20-I23 PolarHBondContact O-N 3.18Å; I20-A24 WeakPolarHBondContact O-CB 3.44Å; I20-A24 PolarHBondContact O-N 3Å
21	C	66.4	Low	62.1	Low	61 Å²	61	76.9 Å²	76.9	41%	0.412	43%	0.429	S	S	.	.	H	α-helix	trans	-65.6	-33.8	177.1	-74.4	0	0	0	0	113.6	A17 E19 H25	A17-C21 WeakPolarHBondContact O-CB 3.39Å; A17-C21 PolarHBondContact O-N 3.36Å; A17-C21 PolarHBondContact O-SG 3.08Å; E19-C21 VanDerWaalsContact C-N 3.34Å; E19-C21 PolarHBondContact O-N 2.79Å; C21-H25 WeakPolarHBondContact O-CB 3.48Å; C21-H25 PolarHBondContact O-CD2 3.22Å; C21-H25 PolarHBondContact O-N 3.41Å
22	K	69.6	Low	60.5	Low	135 Å²	135	82.5 Å²	82.5	59%	0.587	46%	0.456	S	S	*	.	H	α-helix	trans	-69.9	-40.6	173.9	-72.2	160.4	-167.4	159.2	0	111.5	Q18 E19 I20 H25 A26	Q18-K22 VanDerWaalsContact O-CD 3.3Å; Q18-K22 WeakPolarHBondContact O-CD 3.33Å; Q18-K22 WeakPolarHBondContact O-CG 3.29Å; Q18-K22 PolarHBondContact O-N 3.28Å; Q18-K22 VanDerWaalsContact O-N 3.15Å; E19-K22 PolarHBondContact O-N 3.31Å; E19-K22 VanDerWaalsContact O-N 3.12Å; I20-K22 PolarHBondContact O-N 2.81Å; K22-H25 PolarHBondContact O-N 3.05Å; K22-A26 WeakPolarHBondContact O-CB 3.33Å; K22-A26 PolarHBondContact O-N 3.17Å
23	I	69.7	Low	58.6	Low	80 Å²	80	86.2 Å²	86.2	41%	0.41	48%	0.481	S	S	.	.	H	α-helix	trans	-64.3	-46.3	175.8	-70.6	167.2	0	0	0	110	E19 I20 A26 Y27	E19-I23 HydrophobicContact CG-CD1 3.92Å; E19-I23 WeakPolarHBondContact O-CB 3.47Å; E19-I23 VanDerWaalsContact O-CG1 3.3Å; E19-I23 WeakPolarHBondContact O-CG1 3.34Å; E19-I23 PolarHBondContact O-N 2.73Å; I20-I23 PolarHBondContact O-N 3.18Å; I23-A26 WeakPolarHBondContact O-CB 3.19Å; I23-A26 PolarHBondContact O-N 2.83Å; I23-A26 VanDerWaalsContact O-N 3.14Å; I23-Y27 HydrophobicContact CG2-CD2 3.76Å; I23-Y27 HydrophobicContact CG2-CE2 3.39Å; I23-Y27 WeakPolarHBondContact O-CD2 3.39Å; I23-Y27 PolarHBondContact O-N 2.75Å
24	A	64	Low	56.9	Low	43 Å²	43	90.6 Å²	90.6	36%	0.355	50%	0.5	S	S	.	.	H	α-helix	trans	-59.3	-47.5	174.9	0	0	0	0	0	112	I20 A26 Y27 D28	I20-A24 WeakPolarHBondContact O-CB 3.44Å; I20-A24 PolarHBondContact O-N 3Å; A24-A26 VanDerWaalsContact C-N 3.27Å; A24-A26 PolarHBondContact O-N 2.77Å; A24-Y27 CarbonylContact O-C 3.56Å; A24-Y27 WeakPolarHBondContact O-CA 3.47Å; A24-Y27 PolarHBondContact O-N 3.35Å; A24-D28 PolarHBondContact O-N 3.23Å
25	H	60.7	Low	55.2	Low	114 Å²	114	94 Å²	94	53%	0.528	52%	0.519	S	S	.	.	H	α-helix	trans	-62.8	-29.8	174.6	-88.1	-51.6	0	0	0	113.8	C21 K22 G29	C21-H25 WeakPolarHBondContact O-CB 3.48Å; C21-H25 PolarHBondContact O-CD2 3.22Å; C21-H25 PolarHBondContact O-N 3.41Å; K22-H25 PolarHBondContact O-N 3.05Å; H25-G29 PolarHBondContact O-N 3.41Å; H25-G29 VanDerWaalsContact O-N 3.1Å
26	A	56.7	Low	53.6	Low	65 Å²	65	95.1 Å²	95.1	54%	0.537	53%	0.529	S	S	.	.	H	α-helix	trans	-71.2	-31.7	172.5	0	0	0	0	0	112.3	K22 I23 A24	K22-A26 WeakPolarHBondContact O-CB 3.33Å; K22-A26 PolarHBondContact O-N 3.17Å; I23-A26 WeakPolarHBondContact O-CB 3.19Å; I23-A26 PolarHBondContact O-N 2.83Å; I23-A26 VanDerWaalsContact O-N 3.14Å; A24-A26 VanDerWaalsContact C-N 3.27Å; A24-A26 PolarHBondContact O-N 2.77Å
27	Y	48.4	Very low	51.9	Low	151 Å²	151	99.7 Å²	99.7	59%	0.592	55%	0.553	S	S	*	*	H	α-helix	trans	-76.6	-38.1	172.3	-71.8	-58.6	0	0	0	113.1	I23 A24 G29 L30	I23-Y27 HydrophobicContact CG2-CD2 3.76Å; I23-Y27 HydrophobicContact CG2-CE2 3.39Å; I23-Y27 WeakPolarHBondContact O-CD2 3.39Å; I23-Y27 PolarHBondContact O-N 2.75Å; A24-Y27 CarbonylContact O-C 3.56Å; A24-Y27 WeakPolarHBondContact O-CA 3.47Å; A24-Y27 PolarHBondContact O-N 3.35Å; Y27-G29 PolarHBondContact O-N 2.97Å; Y27-L30 HydrophobicContact CD1-CD1 3.92Å; Y27-L30 WeakPolarHBondContact O-CB 3.3Å; Y27-L30 PolarHBondContact O-N 3.2Å
28	D	50.4	Low	50	Low	117 Å²	117	103.8 Å²	103.8	63%	0.626	57%	0.569	S	S	*	*	H	α-helix	trans	-63.3	-24	170.5	-74	-28.3	0	0	0	112.2	A24 L30	A24-D28 PolarHBondContact O-N 3.23Å; D28-L30 VanDerWaalsContact C-N 3.29Å
29	G	40.9	Very low	48.4	Very low	62 Å²	62	108.4 Å²	108.4	64%	0.639	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-11.1	171.4	0	0	0	0	0	114.5	H25 Y27	H25-G29 PolarHBondContact O-N 3.41Å; H25-G29 VanDerWaalsContact O-N 3.1Å; Y27-G29 PolarHBondContact O-N 2.97Å
30	L	37.3	Very low	46.8	Very low	102 Å²	102	108.2 Å²	108.2	53%	0.534	61%	0.607	S	S	.	*	S	Bend	trans	-81.4	138.9	168.7	-62	177.2	0	0	0	109.6	Y27 D28 L32	Y27-L30 HydrophobicContact CD1-CD1 3.92Å; Y27-L30 WeakPolarHBondContact O-CB 3.3Å; Y27-L30 PolarHBondContact O-N 3.2Å; D28-L30 VanDerWaalsContact C-N 3.29Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 3.26Å
31	P	33.5	Very low	44.8	Very low	120 Å²	120	108.5 Å²	108.5	78%	0.779	63%	0.63	S	S	*	*			trans	-69.7	91.7	173.3	29.3	-34	0	0	0	110	S33	P31-S33 PolarHBondContact O-N 3.36Å
32	L	35.9	Very low	43.3	Very low	131 Å²	131	111.3 Å²	111.3	69%	0.686	65%	0.65	S	S	*	*			trans	-67.5	71.1	165.9	-73.9	174.2	0	0	0	109.9	L30 L34	L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 PolarHBondContact O-N 3.26Å; L32-L34 HydrophobicContact CD2-CD1 4.43Å; L32-L34 PolarHBondContact O-N 3.13Å
33	S	31.1	Very low	41.6	Very low	110 Å²	110	111.6 Å²	111.6	77%	0.769	66%	0.663	S	S	*	*			trans	-71.6	44.4	174	-175.5	0	0	0	0	111.7	P31 D35	P31-S33 PolarHBondContact O-N 3.36Å; S33-D35 VanDerWaalsContact C-N 3.3Å; S33-D35 PolarHBondContact O-N 3.08Å
34	L	36	Very low	39.9	Very low	114 Å²	114	113.3 Å²	113.3	60%	0.597	68%	0.68	S	S	*	*			trans	-86.6	76.7	171.8	-84.8	162.6	0	0	0	108.4	L32 H36	L32-L34 HydrophobicContact CD2-CD1 4.43Å; L32-L34 PolarHBondContact O-N 3.13Å; L34-H36 PolarHBondContact O-CD2 3.41Å; L34-H36 VanDerWaalsContact O-CD2 3.31Å; L34-H36 PolarHBondContact O-N 2.99Å
35	D	32.1	Very low	38.4	Very low	105 Å²	105	118.7 Å²	118.7	56%	0.561	70%	0.702	S	S	*	*			trans	-73.8	68.7	-179.3	-162.4	4.4	0	0	0	111.1	S33 N37	S33-D35 VanDerWaalsContact C-N 3.3Å; S33-D35 PolarHBondContact O-N 3.08Å; D35-N37 PolarHBondContact O-N 3.19Å; D35-N37 PolarHBondContact OD1-ND2 3.41Å; D35-N37 VanDerWaalsContact OD1-ND2 3.08Å
36	H	37.8	Very low	36.9	Very low	132 Å²	132	124.8 Å²	124.8	61%	0.611	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-65.3	2	-175.1	-76.6	-64.9	0	0	0	114.6	L34 N38	L34-H36 PolarHBondContact O-CD2 3.41Å; L34-H36 VanDerWaalsContact O-CD2 3.31Å; L34-H36 PolarHBondContact O-N 2.99Å; H36-N38 VanDerWaalsContact C-N 3.25Å; H36-N38 PolarHBondContact O-N 3.46Å
37	N	35.8	Very low	35.9	Very low	142 Å²	142	127 Å²	127	76%	0.759	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-73.7	-10.2	-178.7	-64.2	-55.9	0	0	0	114.4	D35	D35-N37 PolarHBondContact O-N 3.19Å; D35-N37 PolarHBondContact OD1-ND2 3.41Å; D35-N37 VanDerWaalsContact OD1-ND2 3.08Å
38	N	32.3	Very low	35.2	Very low	128 Å²	128	123.7 Å²	123.7	68%	0.684	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-105.3	17	-170.8	-69	-65.3	0	0	0	115.2	H36	H36-N38 VanDerWaalsContact C-N 3.25Å; H36-N38 PolarHBondContact O-N 3.46Å
39	L	35.1	Very low	34.5	Very low	164 Å²	164	125.7 Å²	125.7	86%	0.859	75%	0.753	S	S	*	*			trans	-125.8	46.1	-178.5	-78.7	169.3	0	0	0	114.2
40	S	36.4	Very low	34.2	Very low	115 Å²	115	130 Å²	130	80%	0.804	76%	0.761	S	S	*	*	S	Bend	trans	-130.2	137.9	151	84.2	0	0	0	0	109.6
41	G	30.1	Very low	34.1	Very low	88 Å²	88	135.6 Å²	135.6	91%	0.907	78%	0.781	S	S	*	*			trans	-87.6	127	-155.9	0	0	0	0	0	115.5
42	S	34.9	Very low	34.3	Very low	119 Å²	119	133.8 Å²	133.8	83%	0.832	78%	0.776	S	S	*	*			trans	-141.7	149.5	147.5	65.2	0	0	0	0	112.2
43	V	35.7	Very low	34.1	Very low	142 Å²	142	138.6 Å²	138.6	86%	0.861	79%	0.787	S	S	*	*			trans	-59.4	143.3	-170	172.9	0	0	0	0	112
44	P	33.7	Very low	34	Very low	116 Å²	116	139.3 Å²	139.3	75%	0.753	79%	0.792	S	S	*	*			trans	-82.3	153.1	-156	32.4	-38	0	0	0	114.9
45	N	32.5	Very low	34	Very low	155 Å²	155	141.6 Å²	141.6	83%	0.829	80%	0.804	S	S	*	*			trans	-127.3	124.5	161.1	-155.7	-7	0	0	0	110.6	S47	N45-S47 PolarHBondContact O-N 2.81Å
46	R	29.3	Very low	34.1	Very low	243 Å²	243	141.9 Å²	141.9	92%	0.917	81%	0.814	S	S	*	*			trans	-94	75.4	-167.6	-78.2	-177.6	164.8	-169.3	-3.2	112.7
47	S	35	Very low	33.8	Very low	110 Å²	110	143.7 Å²	143.7	77%	0.769	83%	0.828	S	S	*	*			trans	-161.7	119.3	167.6	56.2	0	0	0	0	112.4	N45	N45-S47 PolarHBondContact O-N 2.81Å
48	G	34.3	Very low	33.7	Very low	82 Å²	82	144.6 Å²	144.6	85%	0.845	83%	0.831	S	S	*	*			trans	128.9	50.7	170.6	0	0	0	0	0	116.5
49	I	35.6	Very low	33.8	Very low	160 Å²	160	143 Å²	143	82%	0.821	83%	0.83	S	S	*	*			trans	-100.1	147	165.6	-46.5	-179.2	0	0	0	108
50	L	34.4	Very low	33.7	Very low	153 Å²	153	140.8 Å²	140.8	80%	0.801	83%	0.828	S	S	*	*			trans	72.5	78	178.3	-50.9	-179.4	0	0	0	116.6
51	K	34.8	Very low	33.6	Very low	218 Å²	218	141 Å²	141	95%	0.948	83%	0.825	S	S	*	*			trans	-102.3	84.3	133.8	-93.6	-170.3	173.6	-177.9	0	108.7
52	A	37.2	Very low	33.7	Very low	82 Å²	82	144.4 Å²	144.4	68%	0.678	82%	0.822	S	S	*	*			trans	-73	163	167	0	0	0	0	0	110.5
53	Y	31.7	Very low	33.7	Very low	233 Å²	233	148.8 Å²	148.8	91%	0.914	82%	0.822	S	S	*	*			trans	-57.5	138.4	-174	-73.7	-100.8	0	0	0	113.5	L55	Y53-L55 PolarHBondContact O-N 2.95Å
54	S	29.4	Very low	33.6	Very low	125 Å²	125	150.5 Å²	150.5	87%	0.874	82%	0.82	S	S	*	*			trans	-69.7	92.2	168.7	-60.2	0	0	0	0	110.7
55	L	35.4	Very low	33.5	Very low	162 Å²	162	151.1 Å²	151.1	85%	0.848	82%	0.822	S	S	*	*			trans	-86	130.9	155.5	-73.4	174.4	0	0	0	108.9	Y53 N57	Y53-L55 PolarHBondContact O-N 2.95Å; L55-N57 PolarHBondContact O-N 3.05Å
56	S	33.9	Very low	33.4	Very low	111 Å²	111	150.8 Å²	150.8	78%	0.776	82%	0.82	S	S	*	*			trans	-65.1	129.4	-173.3	-56.2	0	0	0	0	112.1	I58	S56-I58 PolarHBondContact O-N 2.94Å; S56-I58 VanDerWaalsContact O-N 3.07Å
57	N	31.4	Very low	33.7	Very low	170 Å²	170	149.5 Å²	149.5	91%	0.909	82%	0.821	S	S	*	*			trans	-60.5	110.8	168.1	-89.7	-29.8	0	0	0	110.3	L55	L55-N57 PolarHBondContact O-N 3.05Å
58	I	35	Very low	33.6	Very low	161 Å²	161	150.9 Å²	150.9	83%	0.826	83%	0.825	S	S	*	*			trans	-111.9	113.6	152.4	-62.1	-179.3	0	0	0	105.9	S56 S60	S56-I58 PolarHBondContact O-N 2.94Å; S56-I58 VanDerWaalsContact O-N 3.07Å; I58-S60 PolarHBondContact O-N 3.25Å
59	S	33.5	Very low	33.6	Very low	95 Å²	95	149.9 Å²	149.9	66%	0.664	82%	0.815	S	S	*	*			trans	-76.8	115.5	-169.1	50.4	0	0	0	0	112.5	T61	S59-T61 PolarHBondContact O-N 3.01Å
60	S	33.1	Very low	33.6	Very low	116 Å²	116	149.6 Å²	149.6	81%	0.811	82%	0.815	S	S	*	*			trans	-89.6	39.7	166.4	54	0	0	0	0	112.8	I58 D62	I58-S60 PolarHBondContact O-N 3.25Å; S60-D62 VanDerWaalsContact C-N 3.28Å; S60-D62 PolarHBondContact O-N 3.22Å
61	T	34.7	Very low	33.7	Very low	120 Å²	120	149.6 Å²	149.6	74%	0.736	82%	0.815	S	S	*	*			trans	-80.5	74	170.7	49.4	0	0	0	0	110.4	S59	S59-T61 PolarHBondContact O-N 3.01Å
62	D	33	Very low	33.7	Very low	159 Å²	159	143.6 Å²	143.6	85%	0.85	80%	0.801	S	S	*	*			trans	-149.3	58.6	170.8	-116.7	-23.8	0	0	0	111.4	S60	S60-D62 VanDerWaalsContact C-N 3.28Å; S60-D62 PolarHBondContact O-N 3.22Å
63	Y	34.1	Very low	33.7	Very low	212 Å²	212	146.3 Å²	146.3	83%	0.831	80%	0.804	S	S	*	*			trans	-109.6	118.5	165.4	-99	-85.1	0	0	0	110
64	Q	33.4	Very low	33.9	Very low	177 Å²	177	142.6 Å²	142.6	83%	0.827	80%	0.795	S	S	*	*	S	Bend	trans	63.9	79.3	166.1	-52.9	-176.7	19.1	0	0	117.8
65	T	32.5	Very low	34.3	Very low	129 Å²	129	144.4 Å²	144.4	79%	0.791	79%	0.79	S	S	*	*			trans	-153.6	138.1	133.7	-12.5	0	0	0	0	113.2
66	L	30.8	Very low	34.3	Very low	148 Å²	148	142.9 Å²	142.9	78%	0.775	79%	0.788	S	S	*	*			trans	45.5	84.4	154.7	-70	158.5	0	0	0	119.1
67	K	34.3	Very low	34.7	Very low	216 Å²	216	142.4 Å²	142.4	94%	0.939	78%	0.781	S	S	*	*			trans	-123.2	84.3	139.9	-84.2	-167.4	175.7	-179.4	0	110.7
68	T	32.9	Very low	35.1	Very low	140 Å²	140	143.4 Å²	143.4	86%	0.859	78%	0.778	S	S	*	*			trans	-95.9	110	160.6	-51	0	0	0	0	106.9
69	G	34.3	Very low	35.1	Very low	61 Å²	61	145.4 Å²	145.4	63%	0.629	78%	0.781	S	S	*	*			trans	-154.4	134.4	-179.8	0	0	0	0	0	110.1
70	D	36.4	Very low	35.3	Very low	153 Å²	153	149.9 Å²	149.9	82%	0.818	79%	0.792	S	S	*	*			trans	51.7	98.5	166	-48.6	-30.8	0	0	0	117.3
71	N	36.1	Very low	35.5	Very low	153 Å²	153	153 Å²	153	82%	0.818	79%	0.791	S	S	*	*				-173.7	148.9	95.6	-97.9	-69.3	0	0	0	115.3
72	S	35.4	Very low	35.8	Very low	93 Å²	93	154.5 Å²	154.5	65%	0.65	79%	0.794	S	S	*	*			trans	58.9	116.7	153	60.8	0	0	0	0	122.3
73	N	37.1	Very low	36.3	Very low	139 Å²	139	155 Å²	155	74%	0.743	79%	0.793	S	S	*	*			trans	87.4	104.2	130.5	-59.4	-0.6	0	0	0	122.2
74	Q	35.3	Very low	37.1	Very low	155 Å²	155	149.8 Å²	149.8	72%	0.724	79%	0.785	S	S	*	*				81	129.9	127.7	-75.4	176.6	-85.3	0	0	122.8
75	E	37.3	Very low	37.5	Very low	163 Å²	163	147.9 Å²	147.9	76%	0.762	79%	0.786	S	S	*	*			trans	85.3	118.7	143.4	-74	162	-144.4	0	0	121.2
76	T	35.2	Very low	37.7	Very low	130 Å²	130	147.3 Å²	147.3	80%	0.798	78%	0.778	S	S	*	*			trans	-88.2	-168.7	169.8	55.1	0	0	0	0	108.3
77	P	42.9	Very low	38.2	Very low	100 Å²	100	150 Å²	150	65%	0.649	78%	0.777	S	S	*	*			cis	-143.4	-161.8	8.6	28.7	-0.5	0	0	0	116.1
78	F	40.3	Very low	38.4	Very low	191 Å²	191	147.1 Å²	147.1	84%	0.838	77%	0.765	S	S	*	*			trans	104.1	106.7	157.8	-72.8	-70.8	0	0	0	120.3
79	F	34	Very low	38.7	Very low	203 Å²	203	145.8 Å²	145.8	89%	0.89	75%	0.753	S	S	*	*			trans	-118.1	135	144.7	-94.6	-86.3	0	0	0	108.1
80	Q	38.9	Very low	39	Very low	189 Å²	189	149.4 Å²	149.4	88%	0.883	76%	0.756	S	S	*	*			trans	-152.7	166.2	135.1	-160.9	142.5	-19.7	0	0	109.1
81	K	36.9	Very low	39	Very low	183 Å²	183	151 Å²	151	80%	0.796	76%	0.758	S	S	*	*			trans	-153.4	131.4	-154.4	168.3	-169.3	179	-176.7	0	109.7
82	D	41.8	Very low	38.9	Very low	151 Å²	151	147.6 Å²	147.6	81%	0.807	76%	0.76	S	S	*	*			trans	-145.7	122.6	168.6	-102.1	-47.7	0	0	0	114.9
83	M	43	Very low	38.9	Very low	169 Å²	169	148.9 Å²	148.9	83%	0.833	77%	0.769	S	S	*	*			trans	45.8	155.3	153.3	-74.1	-85.8	107.5	0	0	124.8
84	P	49.6	Very low	38.7	Very low	102 Å²	102	147.3 Å²	147.3	66%	0.662	77%	0.769	S	S	*	*			trans	-134.9	168.7	-165.3	44	-26.4	0	0	0	117.7
85	V	42.1	Very low	38.8	Very low	138 Å²	138	146 Å²	146	84%	0.836	77%	0.771	S	S	*	*			trans	-149.3	109.5	155.5	-179.5	0	0	0	0	105.8
86	D	38	Very low	38.6	Very low	117 Å²	117	143 Å²	143	63%	0.626	77%	0.768	S	S	*	*				73.1	142.1	78.8	-166.1	30.1	0	0	0	115.3
87	R	40.3	Very low	38.5	Very low	203 Å²	203	141.8 Å²	141.8	77%	0.766	77%	0.765	S	S	*	*			trans	87	88.2	165.7	-48.3	-159.5	179.1	-177.9	0.1	121.2
88	K	39.6	Very low	38.1	Very low	156 Å²	156	141 Å²	141	68%	0.678	76%	0.762	S	S	*	*				76.4	146.6	105.6	-93.3	177.4	138.7	-75.4	0	121.6
89	D	38.7	Very low	38	Very low	112 Å²	112	139.3 Å²	139.3	60%	0.599	76%	0.756	S	S	*	*			trans	64.5	148.6	147.9	-56.4	-11.8	0	0	0	116.7
90	I	40.1	Very low	38.1	Very low	138 Å²	138	134.7 Å²	134.7	71%	0.708	75%	0.745	S	S	*	*			cis	-166.3	154.3	-30.5	-116.6	160.8	0	0	0	105.7
91	H	36.2	Very low	38	Very low	185 Å²	185	132.8 Å²	132.8	86%	0.856	74%	0.741	S	S	*	*			trans	9.5	117.3	166.7	-65.9	-102	0	0	0	119.9
92	G	35.4	Very low	37.9	Very low	83 Å²	83	129.6 Å²	129.6	86%	0.856	74%	0.736	S	S	*	*			trans	-163.7	94.8	167	0	0	0	0	0	113.8
93	S	34.5	Very low	37.4	Very low	120 Å²	120	132.7 Å²	132.7	84%	0.839	74%	0.738	S	S	*	*			trans	-96.4	133	170.9	177.8	0	0	0	0	110.5
94	S	34.1	Very low	37.4	Very low	105 Å²	105	129.6 Å²	129.6	73%	0.734	73%	0.731	S	S	*	*			trans	158.2	164.7	137.1	54.3	0	0	0	0	113.6
95	V	35.3	Very low	36.7	Very low	129 Å²	129	129.9 Å²	129.9	78%	0.782	74%	0.735	S	S	*	*			trans	60.4	91.9	163.1	-157.3	0	0	0	0	115.7
96	S	33.4	Very low	36.2	Very low	98 Å²	98	127.8 Å²	127.8	69%	0.685	73%	0.732	S	S	*	*				86	135.6	75.2	-177.5	0	0	0	0	115.1
97	S	34	Very low	36.1	Very low	105 Å²	105	126.7 Å²	126.7	73%	0.734	73%	0.733	S	S	*	*			trans	62.3	150.7	157.8	44.3	0	0	0	0	117.2
98	S	34.9	Very low	35.8	Very low	84 Å²	84	123.5 Å²	123.5	59%	0.587	73%	0.732	S	S	*	*			cis	-159.6	-170.6	8.9	20.5	0	0	0	0	110.3
99	H	38	Very low	35.7	Very low	156 Å²	156	121.9 Å²	121.9	72%	0.722	73%	0.729	S	S	*	*			trans	86.8	114.6	165.6	-48.9	-66.2	0	0	0	114.8
100	T	36.3	Very low	35.7	Very low	106 Å²	106	124.3 Å²	124.3	65%	0.65	74%	0.737	S	S	*	*			cis	85.1	135.4	42.5	70.4	0	0	0	0	114.1
101	N	36	Very low	35.6	Very low	149 Å²	149	123.4 Å²	123.4	80%	0.797	73%	0.733	S	S	*	*			trans	85.7	147	168.4	-55.8	-16.9	0	0	0	117.4
102	V	35	Very low	35.7	Very low	115 Å²	115	120.7 Å²	120.7	70%	0.697	72%	0.721	S	S	*	*			cis	-179	118.8	-40.6	131.6	0	0	0	0	107.9
103	Y	31.6	Very low	35.8	Very low	216 Å²	216	125.8 Å²	125.8	85%	0.847	71%	0.714	S	S	*	*			trans	55.7	-178.4	155.6	-81.2	-96.7	0	0	0	118.4
104	P	42.9	Very low	35.9	Very low	105 Å²	105	126 Å²	126	68%	0.682	71%	0.711	S	S	*	*			cis	-126.6	-175.3	-6.5	25.1	-1.3	0	0	0	115.9
105	S	35.5	Very low	36.1	Very low	107 Å²	107	127.2 Å²	127.2	75%	0.748	71%	0.713	S	S	*	*			trans	77.6	125.9	157.4	-54.9	0	0	0	0	116.3
106	A	30.7	Very low	35.9	Very low	94 Å²	94	129.6 Å²	129.6	78%	0.777	72%	0.716	S	S	*	*			cis	67.4	136.3	29.9	0	0	0	0	0	112.8
107	S	34.8	Very low	35.8	Very low	94 Å²	94	135.5 Å²	135.5	66%	0.657	72%	0.723	S	S	*	*			cis	-164.6	-173.7	19.3	49.8	0	0	0	0	110.5
108	N	35.6	Very low	35.8	Very low	136 Å²	136	135.8 Å²	135.8	73%	0.727	72%	0.722	S	S	*	*			trans	77.7	148.8	153.2	-65.5	-10.2	0	0	0	118.5
109	I	37.2	Very low	35.8	Very low	122 Å²	122	138.9 Å²	138.9	63%	0.626	73%	0.732	S	S	*	*			cis	-168.6	162.3	-9.8	-114.8	169.4	0	0	0	110.4
110	H	38.7	Very low	35.7	Very low	164 Å²	164	136.6 Å²	136.6	76%	0.759	73%	0.731	S	S	*	*			trans	65.3	150	163	-78.4	-41.5	0	0	0	118.9
111	D	37.7	Very low	35.4	Very low	119 Å²	119	137.6 Å²	137.6	64%	0.636	74%	0.742	S	S	*	*			cis	-161.2	170.2	-18.5	-143.2	-26.8	0	0	0	112.8
112	E	38	Very low	35.3	Very low	127 Å²	127	135 Å²	135	59%	0.593	74%	0.735	S	S	*	*			trans	56.7	144.9	157.3	-56.2	-141.4	148.2	0	0	120.5
113	R	37.5	Very low	35.2	Very low	190 Å²	190	135.7 Å²	135.7	72%	0.717	74%	0.74	S	S	*	*			cis	-168.3	153.4	-10.9	-110.6	-173.6	-158.6	-171	22.1	109.5
114	V	37.2	Very low	35.3	Very low	126 Å²	126	131.1 Å²	131.1	76%	0.764	73%	0.734	S	S	*	*			trans	58.9	121.4	137.7	170.5	0	0	0	0	118.5
115	V	37.8	Very low	34.9	Very low	129 Å²	129	131.2 Å²	131.2	78%	0.782	74%	0.735	S	S	*	*			cis	-142.2	145.8	12.2	174.8	0	0	0	0	110.7
116	Q	31.3	Very low	35	Very low	179 Å²	179	133.8 Å²	133.8	84%	0.836	74%	0.739	S	S	*	*			trans	-89.2	140.4	163.1	-70.2	179.5	-17	0	0	112.2
117	R	31.2	Very low	35.2	Very low	222 Å²	222	136.2 Å²	136.2	84%	0.838	73%	0.731	S	S	*	*			trans	-137.9	82.5	168.9	-153.2	-178.1	-152.7	-173.3	7.8	113
118	P	33.3	Very low	35.1	Very low	111 Å²	111	138.6 Å²	138.6	72%	0.721	73%	0.732	S	S	*	*			trans	-70.8	142.5	162.9	31.8	-33	0	0	0	109.7
119	L	35.2	Very low	34.9	Very low	150 Å²	150	138.3 Å²	138.3	79%	0.785	74%	0.736	S	S	*	*			trans	-127.3	132	167.1	-88	168.6	0	0	0	109.2
120	P	36.3	Very low	34.7	Very low	108 Å²	108	139 Å²	139	70%	0.701	74%	0.739	S	S	*	*			trans	-95.2	161	-162.6	37.4	-37.5	0	0	0	114
121	S	29.4	Very low	34.6	Very low	127 Å²	127	137.4 Å²	137.4	89%	0.888	74%	0.743	S	S	*	*			trans	-65.7	128.8	151.9	172.7	0	0	0	0	109.4
122	S	34.3	Very low	34.3	Very low	94 Å²	94	136.6 Å²	136.6	66%	0.657	74%	0.742	S	S	*	*			trans	-149.4	119.6	168	-168.4	0	0	0	0	111.8
123	T	32.6	Very low	34.2	Very low	130 Å²	130	140.3 Å²	140.3	80%	0.798	76%	0.757	S	S	*	*			trans	-68.7	129.8	165.3	40.1	0	0	0	0	110.8
124	V	35	Very low	34.1	Very low	120 Å²	120	137.5 Å²	137.5	73%	0.727	76%	0.755	S	S	*	*			trans	-138.3	98	164.9	-175.1	0	0	0	0	110.7
125	P	33.1	Very low	33.9	Very low	107 Å²	107	138.3 Å²	138.3	70%	0.695	76%	0.755	S	S	*	*			trans	-84	138	147	34.2	-29.1	0	0	0	109.4
126	I	38.5	Very low	33.7	Very low	161 Å²	161	141.3 Å²	141.3	83%	0.826	76%	0.761	S	S	*	*			trans	161.2	151.8	165.7	-94.5	152	0	0	0	107.6
127	K	34.8	Very low	33.8	Very low	144 Å²	144	141.1 Å²	141.1	63%	0.626	76%	0.76	S	S	*	*			cis	-178	128.4	-35.2	-176.6	179.2	-171.2	-80.4	0	105
128	E	31.9	Very low	33.8	Very low	145 Å²	145	137.2 Å²	137.2	68%	0.678	76%	0.755	S	S	*	*			trans	56.4	138.4	169.1	-74.6	140.7	-151.5	0	0	117.6
129	T	33.3	Very low	33.7	Very low	130 Å²	130	136.1 Å²	136.1	80%	0.798	75%	0.75	S	S	*	*				-161.6	138.4	79.2	-65.7	0	0	0	0	110.7
130	I	31.8	Very low	33.7	Very low	137 Å²	137	137 Å²	137	70%	0.703	75%	0.75	S	S	*	*			trans	-97.8	129.8	175.8	-62.9	164	0	0	0	109	V132	I130-V132 HydrophobicContact CG2-CB 4.29Å; I130-V132 HydrophobicContact CG2-CG2 3.64Å
131	P	36.2	Very low	33.5	Very low	129 Å²	129	140.9 Å²	140.9	84%	0.838	76%	0.756	S	S	*	*			trans	-97.3	87.4	163.9	34.3	-28.1	0	0	0	110.6
132	V	30.9	Very low	33.5	Very low	102 Å²	102	140.1 Å²	140.1	62%	0.618	75%	0.75	S	S	*	*			trans	-94.2	118.6	164.3	163	0	0	0	0	109	I130 L134	I130-V132 HydrophobicContact CG2-CB 4.29Å; I130-V132 HydrophobicContact CG2-CG2 3.64Å; V132-L134 HydrophobicContact CG1-CB 4.13Å; V132-L134 HydrophobicContact CG1-CD1 4.21Å; V132-L134 HydrophobicContact CG1-CG 4.22Å
133	K	35.8	Very low	33.6	Very low	206 Å²	206	145.1 Å²	145.1	90%	0.896	76%	0.763	S	S	*	*			trans	-124.9	113.3	152.9	-71.6	-169.7	171.2	-163.9	0	104.2
134	L	37.1	Very low	33.5	Very low	131 Å²	131	145.5 Å²	145.5	69%	0.686	76%	0.76	S	S	*	*			cis	65.7	77.8	34.4	-111	175.4	0	0	0	111.7	V132	V132-L134 HydrophobicContact CG1-CB 4.13Å; V132-L134 HydrophobicContact CG1-CD1 4.21Å; V132-L134 HydrophobicContact CG1-CG 4.22Å
135	D	31.7	Very low	33.7	Very low	143 Å²	143	145 Å²	145	77%	0.765	76%	0.76	S	S	*	*			trans	42	104.8	136.2	-48.6	-20.1	0	0	0	120.7
136	E	35	Very low	33.8	Very low	192 Å²	192	146.5 Å²	146.5	90%	0.897	76%	0.762	S	S	*	*			trans	-164.6	97.2	143.7	-104.4	176	159.1	0	0	104.4
137	E	32.2	Very low	33.2	Very low	175 Å²	175	145.1 Å²	145.1	82%	0.818	76%	0.76	S	S	*	*				58.1	141.6	82.4	-134.7	-163.2	-172.8	0	0	116
138	L	32.4	Very low	32.9	Very low	140 Å²	140	143.8 Å²	143.8	73%	0.733	77%	0.768	S	S	*	*			trans	65.8	100.3	162.9	-75.9	155.3	0	0	0	120.6
139	S	31.2	Very low	33.2	Very low	87 Å²	87	142.6 Å²	142.6	61%	0.608	77%	0.773	S	S	*	*				99.9	126.8	119.2	-148.4	0	0	0	0	119.9
140	Q	33.3	Very low	32.9	Very low	169 Å²	169	146.1 Å²	146.1	79%	0.79	78%	0.778	S	S	*	*			trans	69.7	146.4	162.5	-63.7	163.9	66.3	0	0	116.8
141	K	32.9	Very low	33.1	Very low	190 Å²	190	145.1 Å²	145.1	83%	0.826	78%	0.782	S	S	*	*			cis	-143.1	148.9	5.5	-155.5	165	-177.3	168.9	0	111.5
142	S	30.6	Very low	32.6	Very low	110 Å²	110	149.6 Å²	149.6	77%	0.769	78%	0.784	S	S	*	*			trans	-80.3	142	-175.6	55.8	0	0	0	0	114.6
143	Q	35.8	Very low	32.8	Very low	200 Å²	200	153.8 Å²	153.8	94%	0.935	80%	0.797	S	S	*	*			trans	-147.1	123.6	143.5	-120.8	171.3	-4.2	0	0	110.3
144	N	30.7	Very low	32.7	Very low	137 Å²	137	148.6 Å²	148.6	73%	0.733	78%	0.784	S	S	*	*			trans	-135.1	141.6	-179.7	-155.3	18.1	0	0	0	106.5
145	P	37.6	Very low	32.4	Very low	111 Å²	111	150.7 Å²	150.7	72%	0.721	79%	0.794	S	S	*	*				-150.1	163.5	114.9	38.3	-23.3	0	0	0	113.6
146	N	35.5	Very low	32.4	Very low	138 Å²	138	147.3 Å²	147.3	74%	0.738	79%	0.793	S	S	*	*			cis	-158	156.1	-21.3	-108.7	-8.3	0	0	0	107.5
147	V	27.1	Very low	32.2	Very low	131 Å²	131	143.5 Å²	143.5	79%	0.794	79%	0.788	S	S	*	*			trans	-136	158.5	173.1	-173	0	0	0	0	108.2
148	C	28.3	Very low	32.3	Very low	116 Å²	116	144.4 Å²	144.4	78%	0.784	79%	0.789	S	S	*	*			trans	73.1	160.4	176.1	-66.4	0	0	0	0	116.7
149	P	37.4	Very low	32.2	Very low	121 Å²	121	143.3 Å²	143.3	79%	0.786	79%	0.789	S	S	*	*			cis	-131.6	178.8	-26.1	31.9	-13.3	0	0	0	113.6
150	F	27.6	Very low	32.3	Very low	204 Å²	204	144.7 Å²	144.7	90%	0.895	79%	0.794	S	S	*	*			trans	-68.3	146.6	160	-81.6	-98.5	0	0	0	111.5
151	S	34.9	Very low	32.3	Very low	115 Å²	115	142.6 Å²	142.6	80%	0.804	79%	0.792	S	S	*	*			trans	-139.8	123.3	161	56.2	0	0	0	0	110
152	Y	27.2	Very low	32.4	Very low	224 Å²	224	138.9 Å²	138.9	88%	0.878	79%	0.786	S	S	*	*			trans	-79	141.7	166.7	-98.2	-107.6	0	0	0	109.9
153	E	34.3	Very low	32.7	Very low	190 Å²	190	139.3 Å²	139.3	89%	0.888	78%	0.784	S	S	*	*			trans	-149	136.9	144.2	-148.3	161.6	-138.5	0	0	110.6
154	P	33.3	Very low	32.9	Very low	96 Å²	96	135.4 Å²	135.4	62%	0.623	77%	0.774	S	S	*	*			trans	-112.6	-174.9	-172.9	41.6	-34.1	0	0	0	114.3
155	I	31.5	Very low	33.5	Very low	175 Å²	175	134.4 Å²	134.4	90%	0.897	78%	0.775	S	S	*	*			trans	79.5	144.8	166.1	-53	153	0	0	0	115.5
156	G	31.8	Very low	33.6	Very low	72 Å²	72	135.4 Å²	135.4	74%	0.742	77%	0.774	S	S	*	*			trans	134.5	74.8	152.7	0	0	0	0	0	117.3
157	S	30.4	Very low	33.7	Very low	113 Å²	113	134.5 Å²	134.5	79%	0.79	77%	0.774	S	S	*	*			trans	-85	131.7	168.2	50.3	0	0	0	0	112.3
158	K	33.6	Very low	34.2	Very low	194 Å²	194	132.4 Å²	132.4	84%	0.843	77%	0.765	S	S	*	*			trans	173.8	117.3	137	-97.6	162.6	-176.9	178.8	0	116
159	T	30.7	Very low	34.7	Very low	117 Å²	117	134.4 Å²	134.4	72%	0.718	76%	0.763	S	S	*	*			trans	29.5	141.7	130.8	54	0	0	0	0	124.4
160	T	34	Very low	34.8	Very low	116 Å²	116	135.7 Å²	135.7	71%	0.712	76%	0.758	S	S	*	*			trans	88.4	125.9	136.9	38	0	0	0	0	124.2
161	T	33.4	Very low	35.3	Very low	124 Å²	124	132.1 Å²	132.1	76%	0.761	75%	0.747	S	S	*	*			trans	67	151.5	145.1	52	0	0	0	0	119.2
162	T	34.2	Very low	35.4	Very low	112 Å²	112	133.5 Å²	133.5	69%	0.687	74%	0.741	S	S	*	*			cis	-151	167.4	1.5	-3.1	0	0	0	0	108.2
163	T	37.8	Very low	35.9	Very low	119 Å²	119	128.3 Å²	128.3	73%	0.73	73%	0.725	S	S	*	*				-179	121	73.4	39.7	0	0	0	0	108.7
164	T	39	Very low	36.1	Very low	118 Å²	118	128.1 Å²	128.1	72%	0.724	72%	0.715	S	S	*	*				61.2	151.6	90.4	62.1	0	0	0	0	117.5
165	P	45	Very low	36.3	Very low	116 Å²	116	129.5 Å²	129.5	75%	0.753	72%	0.718	S	S	*	*			cis	-126.1	-150.9	-7.6	42.5	-23	0	0	0	111
166	D	38	Very low	36.5	Very low	133 Å²	133	126.3 Å²	126.3	71%	0.711	71%	0.706	S	S	*	*			cis	-161.6	171.3	-9.5	-140.8	-42.9	0	0	0	112
167	T	38.8	Very low	36.7	Very low	119 Å²	119	131.4 Å²	131.4	73%	0.73	71%	0.708	S	S	*	*			trans	59.3	142.6	157.6	55	0	0	0	0	121.7
168	S	37.5	Very low	37.1	Very low	87 Å²	87	132.3 Å²	132.3	61%	0.608	70%	0.703	S	S	*	*			cis	-169.5	160.7	-14.5	55.9	0	0	0	0	112.5
169	H	38.5	Very low	37.4	Very low	158 Å²	158	130.2 Å²	130.2	73%	0.731	70%	0.696	S	S	*	*			trans	62.9	149.4	161.2	-64.1	-62.5	0	0	0	119.8
170	H	38.6	Very low	37.5	Very low	148 Å²	148	130.6 Å²	130.6	69%	0.685	69%	0.694	S	S	*	*			cis	-164.2	150.9	-18.2	-128	-22.3	0	0	0	112.7
171	L	38.6	Very low	37.5	Very low	129 Å²	129	130.2 Å²	130.2	68%	0.675	69%	0.692	S	S	*	*			trans	76.7	131.4	147.3	-63.6	166.6	0	0	0	124.1
172	H	37.2	Very low	37.6	Very low	143 Å²	143	130.8 Å²	130.8	66%	0.662	69%	0.69	S	S	*	*			trans	74.3	112.2	144.5	-80.6	49.6	0	0	0	119.5
173	E	38.4	Very low	37.3	Very low	116 Å²	116	136 Å²	136	54%	0.542	70%	0.698	S	S	.	*				89	142.5	84	-79.7	-156.3	150.4	0	0	112.4
174	R	37.3	Very low	37.2	Very low	185 Å²	185	135.4 Å²	135.4	70%	0.698	71%	0.705	S	S	*	*			cis	-159.7	159.7	10.2	-128.4	171	174.7	135	-3.7	111.7
175	N	37	Very low	36.8	Very low	125 Å²	125	134.8 Å²	134.8	67%	0.668	71%	0.706	S	S	*	*			trans	61.7	105.8	150.5	-69.8	7.3	0	0	0	120.3
176	T	35.8	Very low	36.2	Very low	108 Å²	108	134.5 Å²	134.5	66%	0.663	71%	0.707	S	S	*	*				70.7	139	94	59.9	0	0	0	0	115.7
177	F	37	Very low	35.8	Very low	179 Å²	179	135.1 Å²	135.1	79%	0.785	71%	0.71	S	S	*	*				-169.3	161.9	52.1	-122.5	-55.5	0	0	0	113.7
178	I	39	Very low	35.5	Very low	133 Å²	133	136.4 Å²	136.4	68%	0.682	71%	0.712	S	S	*	*			trans	72	98.3	155.6	-64.1	-175.8	0	0	0	116.8
179	H	38.7	Very low	35.1	Very low	150 Å²	150	142.8 Å²	142.8	69%	0.694	73%	0.725	S	S	*	*				74.5	141.9	101.3	-67.8	-70.3	0	0	0	116.1
180	D	34	Very low	34.8	Very low	124 Å²	124	143.7 Å²	143.7	66%	0.663	73%	0.734	S	S	*	*			cis	-163.6	141.1	-15	-101.6	2.5	0	0	0	106.8
181	T	34	Very low	34.3	Very low	109 Å²	109	141.3 Å²	141.3	67%	0.669	73%	0.734	S	S	*	*				39.1	135.4	97.4	47	0	0	0	0	116.1
182	D	35	Very low	33.8	Very low	135 Å²	135	139.8 Å²	139.8	72%	0.722	73%	0.734	S	S	*	*			cis	-139.2	155.5	16	-83.8	-54	0	0	0	111.5
183	Y	29.2	Very low	33.5	Very low	222 Å²	222	138.8 Å²	138.8	87%	0.871	74%	0.744	S	S	*	*				70.7	86.6	61.2	-122.3	-73.4	0	0	0	115.2
184	A	34.1	Very low	33.1	Very low	106 Å²	106	146 Å²	146	88%	0.876	77%	0.766	S	S	*	*			trans	-149.7	125	160.3	0	0	0	0	0	110.1
185	S	30.5	Very low	32.8	Very low	106 Å²	106	142.6 Å²	142.6	74%	0.741	77%	0.771	S	S	*	*			trans	-106.9	142.5	176.9	179.9	0	0	0	0	110.8
186	S	33.4	Very low	32.4	Very low	110 Å²	110	142.9 Å²	142.9	77%	0.769	78%	0.777	S	S	*	*			trans	-161.4	110	155.3	54.3	0	0	0	0	111.1
187	D	30.2	Very low	32.4	Very low	145 Å²	145	144.9 Å²	144.9	78%	0.775	78%	0.782	S	S	*	*			trans	-60.8	135.8	156.5	-62.5	-74.9	0	0	0	109.3
188	N	31.4	Very low	32.2	Very low	146 Å²	146	140.6 Å²	140.6	78%	0.781	77%	0.772	S	S	*	*			trans	-166.2	149.4	147.2	-106.8	-51.5	0	0	0	114.4
189	Y	28.7	Very low	32	Very low	221 Å²	221	140.6 Å²	140.6	87%	0.867	78%	0.781	S	S	*	*			trans	-43.7	130.6	176.7	-64.2	-102.5	0	0	0	115.2
190	L	32.7	Very low	31.8	Very low	178 Å²	178	138.9 Å²	138.9	93%	0.932	78%	0.781	S	S	*	*			trans	-110.9	95.5	157.2	-82.4	174	0	0	0	110.4
191	S	29.2	Very low	31.6	Very low	97 Å²	97	142 Å²	142	68%	0.678	79%	0.792	S	S	*	*			trans	-79.8	146.2	167.1	-178.3	0	0	0	0	110.8
192	S	26.6	Very low	31.5	Very low	98 Å²	98	145.7 Å²	145.7	69%	0.685	80%	0.801	S	S	*	*			trans	45	106.7	147.3	59.6	0	0	0	0	119.5
193	S	31.9	Very low	31.2	Very low	122 Å²	122	144.5 Å²	144.5	85%	0.853	80%	0.803	S	S	*	*			trans	-161.3	89.3	140.3	-84.6	0	0	0	0	111.6
194	W	29.2	Very low	31.3	Very low	267 Å²	267	138.2 Å²	138.2	100%	1.011	80%	0.797	S	S	*	*			trans	-89.6	102.2	160.8	-75.7	-4.2	0	0	0	108.4
195	S	31.2	Very low	31.1	Very low	114 Å²	114	138.8 Å²	138.8	80%	0.797	79%	0.792	S	S	*	*			trans	-84.7	130.3	176.7	-169.5	0	0	0	0	110.8	I197	S195-I197 PolarHBondContact O-N 2.82Å
196	T	29.1	Very low	31	Very low	131 Å²	131	144 Å²	144	80%	0.804	80%	0.801	S	S	*	*			trans	-74.2	115.3	-175.2	-51.6	0	0	0	0	112.1
197	I	35.1	Very low	30.8	Very low	149 Å²	149	143.2 Å²	143.2	76%	0.764	80%	0.796	S	S	*	*			trans	-131.6	122.7	157.5	-57.6	-179	0	0	0	107.4	S195	S195-I197 PolarHBondContact O-N 2.82Å
198	P	32.4	Very low	30.6	Very low	90 Å²	90	142 Å²	142	58%	0.584	80%	0.797	S	S	*	*			trans	-74.3	147.1	176.9	31.3	-34.4	0	0	0	110.8	T200	P198-T200 PolarHBondContact O-N 3.46Å
199	P	36	Very low	30.7	Very low	133 Å²	133	143.3 Å²	143.3	86%	0.864	80%	0.803	S	S	*	*			trans	-68.2	99.5	169.2	28.5	-32.7	0	0	0	109.6
200	T	34.3	Very low	30.7	Very low	113 Å²	113	139.3 Å²	139.3	69%	0.693	80%	0.797	S	S	*	*			trans	-59.6	147.7	171.9	33.8	0	0	0	0	111.5	P198 H202	P198-T200 PolarHBondContact O-N 3.46Å; T200-H202 PolarHBondContact O-N 2.83Å; T200-H202 VanDerWaalsContact O-N 3.11Å
201	Q	28.3	Very low	30.5	Very low	190 Å²	190	138 Å²	138	89%	0.888	79%	0.791	S	S	*	*			trans	-53.7	113.2	-175.9	-63.9	168.4	-50	0	0	112.2	S203	Q201-S203 PolarHBondContact O-N 3.07Å
202	H	32.4	Very low	30.5	Very low	187 Å²	187	145.6 Å²	145.6	87%	0.866	81%	0.805	S	S	*	*			trans	-84.5	99.4	166.1	-93	-79.3	0	0	0	110.2	T200 A204	T200-H202 PolarHBondContact O-N 2.83Å; T200-H202 VanDerWaalsContact O-N 3.11Å; H202-A204 PolarHBondContact O-N 3.17Å
203	S	28.5	Very low	30.5	Very low	110 Å²	110	148.1 Å²	148.1	77%	0.769	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-55.8	125	174.1	-53.3	0	0	0	0	111.8	Q201	Q201-S203 PolarHBondContact O-N 3.07Å
204	A	31.4	Very low	30.3	Very low	90 Å²	90	149.3 Å²	149.3	74%	0.744	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-65.7	148.8	167.9	0	0	0	0	0	110.7	H202	H202-A204 PolarHBondContact O-N 3.17Å
205	P	30.5	Very low	30.2	Very low	118 Å²	118	145.5 Å²	145.5	77%	0.766	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-70.7	135.9	-170.4	-19	32.9	0	0	0	113.5	S207	P205-S207 PolarHBondContact O-N 3.08Å
206	K	27.7	Very low	30	Very low	215 Å²	215	145.2 Å²	145.2	94%	0.935	80%	0.798	S	S	*	*			trans	-78.5	107.3	160.7	-74.2	-174.6	176.5	-176.6	0	109.4
207	S	30	Very low	29.8	Very low	94 Å²	94	143.5 Å²	143.5	66%	0.657	79%	0.791	S	S	*	*			trans	-156	114.1	164.8	57.2	0	0	0	0	112.9	P205	P205-S207 PolarHBondContact O-N 3.08Å
208	C	27.1	Very low	29.3	Very low	118 Å²	118	143.8 Å²	143.8	80%	0.797	79%	0.794	S	S	*	*			trans	57.2	90.9	146.1	-49.5	0	0	0	0	118.6
209	L	31.6	Very low	29.1	Very low	175 Å²	175	145.7 Å²	145.7	92%	0.916	80%	0.804	S	S	*	*				-171.7	98	114.2	-102.2	161.7	0	0	0	110.5
210	D	28.8	Very low	28.5	Very low	137 Å²	137	144.2 Å²	144.2	73%	0.733	80%	0.803	S	S	*	*			trans	-79.2	163.3	169.4	-63.9	-74.2	0	0	0	111.5
211	N	29	Very low	28.2	Very low	151 Å²	151	144.3 Å²	144.3	81%	0.807	80%	0.803	S	S	*	*			trans	64.3	93.8	163.5	-57.1	-34.3	0	0	0	118.2
212	W	29	Very low	28	Very low	256 Å²	256	141.5 Å²	141.5	97%	0.97	80%	0.798	S	S	*	*				-150.1	115.1	114	-114.6	-35.9	0	0	0	111.4
213	N	26.6	Very low	27.9	Very low	150 Å²	150	137.5 Å²	137.5	80%	0.802	79%	0.792	S	S	*	*			trans	-122.6	144.1	162.4	-103.1	-17.6	0	0	0	106.8
214	N	27.1	Very low	27.8	Very low	148 Å²	148	142.7 Å²	142.7	79%	0.791	79%	0.794	S	S	*	*			trans	54.9	107.5	173.9	-60.3	-11.6	0	0	0	117.1
215	E	28.1	Very low	27.8	Very low	186 Å²	186	147.4 Å²	147.4	87%	0.869	80%	0.8	S	S	*	*				-171.3	156.5	116.5	-105.7	171.8	-167.9	0	0	111.4
216	C	26.5	Very low	27.6	Very low	108 Å²	108	149.7 Å²	149.7	73%	0.73	80%	0.801	S	S	*	*			trans	45.1	112	167.1	-60.1	0	0	0	0	118.4
217	S	26	Very low	27.9	Very low	95 Å²	95	147.7 Å²	147.7	66%	0.664	80%	0.799	S	S	*	*				59.5	108.9	51.8	93	0	0	0	0	115.5
218	N	24.9	Very low	27.7	Very low	156 Å²	156	150.4 Å²	150.4	83%	0.834	80%	0.801	S	S	*	*			trans	69.9	165.6	161.1	-63.1	-28.8	0	0	0	119.7
219	V	28	Very low	28	Very low	129 Å²	129	156.4 Å²	156.4	78%	0.782	81%	0.807	S	S	*	*			trans	75	102.1	174.2	-165.6	0	0	0	0	115.9	V221	V219-V221 HydrophobicContact CG1-CG2 4.04Å
220	A	22.9	Very low	27.9	Very low	102 Å²	102	153.3 Å²	153.3	84%	0.843	79%	0.791	S	S	*	*			trans	-76.9	135.4	162.9	0	0	0	0	0	110.8
221	V	28.2	Very low	28.2	Very low	116 Å²	116	156.5 Å²	156.5	70%	0.703	80%	0.799	S	S	*	*			trans	-129.9	114.2	168.6	-179	0	0	0	0	109.4	V219	V219-V221 HydrophobicContact CG1-CG2 4.04Å
222	V	23.9	Very low	28.2	Very low	130 Å²	130	155.7 Å²	155.7	79%	0.788	80%	0.795	S	S	*	*			trans	-72.2	134.7	168.9	174.1	0	0	0	0	108.9
223	S	30.1	Very low	28.4	Very low	103 Å²	103	150.1 Å²	150.1	72%	0.72	78%	0.783	S	S	*	*			trans	-139.5	89.1	169.7	-78	0	0	0	0	110.7
224	R	25.7	Very low	28.6	Very low	219 Å²	219	151.5 Å²	151.5	83%	0.826	78%	0.782	S	S	*	*			trans	-61.9	138.5	162.6	-72.9	178.7	170.4	179.6	-3.3	108.8
225	H	32	Very low	28.8	Very low	189 Å²	189	149.3 Å²	149.3	88%	0.875	77%	0.774	S	S	*	*			trans	-131.5	123.3	150.5	-98.1	54.9	0	0	0	108.5
226	Q	27	Very low	28.9	Very low	166 Å²	166	146.5 Å²	146.5	78%	0.776	77%	0.765	S	S	*	*			trans	-85.4	138.5	174.1	-63.8	167.5	-86.2	0	0	108.8
227	I	33.1	Very low	29.4	Very low	173 Å²	173	148.1 Å²	148.1	89%	0.887	77%	0.772	S	S	*	*			trans	-123	119.5	150.8	-62.7	-175.9	0	0	0	107.3
228	Q	26.8	Very low	29.8	Very low	152 Å²	152	152.5 Å²	152.5	71%	0.71	78%	0.779	S	S	*	*			trans	-109.8	133.5	-172.5	175.4	-172.4	14.4	0	0	108.6
229	R	33.3	Very low	30.5	Very low	244 Å²	244	150.5 Å²	150.5	92%	0.921	78%	0.775	S	S	*	*			trans	-148.7	134.7	160.7	-108.2	165.4	-155.7	-170.9	5.4	111.1
230	N	29.7	Very low	30.8	Very low	110 Å²	110	153.1 Å²	153.1	59%	0.588	77%	0.772	S	S	*	*			trans	-81	165.5	-174.2	-41.2	-57.6	0	0	0	110.9
231	F	33.4	Very low	31.3	Very low	203 Å²	203	155.9 Å²	155.9	89%	0.89	76%	0.762	S	S	*	*				-155.1	149.4	100.2	-103.9	-73.9	0	0	0	111.2
232	N	30.2	Very low	31.5	Very low	135 Å²	135	157.7 Å²	157.7	72%	0.722	76%	0.762	S	S	*	*			trans	-87.7	171	-177.9	-56.8	-43.9	0	0	0	111.3
233	L	31.9	Very low	31.7	Very low	139 Å²	139	156.1 Å²	156.1	73%	0.728	76%	0.758	S	S	*	*				-178.9	140.3	118.6	-113.7	57.1	0	0	0	112.9
234	F	31	Very low	31.9	Very low	178 Å²	178	159.7 Å²	159.7	78%	0.781	77%	0.767	S	S	*	*			trans	53.2	134.9	152	-67.8	-57.9	0	0	0	121.4
235	T	31.5	Very low	32.2	Very low	102 Å²	102	157.7 Å²	157.7	63%	0.626	77%	0.767	S	S	*	*			cis	-164.1	167.5	-16.2	-11	0	0	0	0	111.2
236	D	30.7	Very low	32.3	Very low	127 Å²	127	153.8 Å²	153.8	68%	0.679	76%	0.759	S	S	*	*			trans	48.1	126.1	149.4	-66.5	-43.7	0	0	0	119.9
237	T	37.5	Very low	32.5	Very low	142 Å²	142	154.8 Å²	154.8	87%	0.871	76%	0.761	S	S	*	*			cis	-146.4	169.3	49	27.4	0	0	0	0	114
238	K	34.5	Very low	32.3	Very low	187 Å²	187	151.5 Å²	151.5	81%	0.813	75%	0.753	S	S	*	*			trans	-75	156.8	-155.4	-73.3	172.8	178.6	171.3	0	117.2
239	P	39.8	Very low	32.8	Very low	115 Å²	115	152.5 Å²	152.5	75%	0.747	76%	0.757	S	S	*	*			trans	-88.4	-172.1	171.8	40.5	-38.4	0	0	0	111.5
240	Y	34	Very low	32.6	Very low	184 Å²	184	147.8 Å²	147.8	72%	0.722	75%	0.749	S	S	*	*			trans	-159.5	125.6	147.4	-131.6	-122.7	0	0	0	113.8
241	Y	33	Very low	32.8	Very low	160 Å²	160	147.5 Å²	147.5	63%	0.627	76%	0.756	S	S	*	*			trans	66	147.5	142.6	-82.5	-132.2	0	0	0	120.2
242	Q	32.9	Very low	32.5	Very low	153 Å²	153	142.7 Å²	142.7	72%	0.715	74%	0.743	S	S	*	*			cis	-152.2	165	-16.8	-146.1	176	-0.1	0	0	110.5
243	S	28.3	Very low	32.7	Very low	98 Å²	98	143.6 Å²	143.6	69%	0.685	75%	0.748	S	S	*	*			trans	-67.7	150.9	176.1	56.7	0	0	0	0	114.4
244	L	34.6	Very low	32.7	Very low	177 Å²	177	141 Å²	141	93%	0.927	74%	0.739	S	S	*	*				-147.5	147.6	123.4	-107.7	167.5	0	0	0	110
245	Q	31.2	Very low	32.7	Very low	177 Å²	177	142.3 Å²	142.3	83%	0.827	74%	0.74	S	S	*	*			trans	-106.4	179.4	-166	-121.3	-147.8	-8.9	0	0	112.1
246	P	34.3	Very low	32.6	Very low	107 Å²	107	143.1 Å²	143.1	70%	0.695	74%	0.74	S	S	*	*			trans	-77.8	162	-154.9	33.9	-39.4	0	0	0	114.4
247	K	31.2	Very low	32.5	Very low	188 Å²	188	145.6 Å²	145.6	82%	0.817	75%	0.746	S	S	*	*			trans	-133.1	111.7	157.5	-103.1	179	176.6	176.3	0	111.3
248	S	28.9	Very low	32.1	Very low	104 Å²	104	143.3 Å²	143.3	73%	0.727	73%	0.734	S	S	*	*			trans	-64.1	137.7	160.3	44.6	0	0	0	0	109.9
249	H	36.6	Very low	31.8	Very low	172 Å²	172	139.8 Å²	139.8	80%	0.796	73%	0.728	S	S	*	*			trans	-131.1	109.9	158.2	-97.4	-82.8	0	0	0	109.6
250	I	29.7	Very low	31.4	Very low	146 Å²	146	139 Å²	139	75%	0.749	73%	0.726	S	S	*	*			trans	-79.1	141.2	173	-64.4	161.2	0	0	0	108.3	T252	I250-T252 HydrophobicContact CG2-CG2 4.29Å
251	S	33.2	Very low	31.5	Very low	104 Å²	104	138 Å²	138	73%	0.727	73%	0.727	S	S	*	*			trans	-147.3	97.7	143.1	-176.9	0	0	0	0	108.6
252	T	28.2	Very low	31.5	Very low	101 Å²	101	134.8 Å²	134.8	62%	0.62	73%	0.728	S	S	*	*				38.9	106.7	97.6	48.6	0	0	0	0	114.9	I250	I250-T252 HydrophobicContact CG2-CG2 4.29Å
253	N	33.3	Very low	31.7	Very low	154 Å²	154	133.9 Å²	133.9	82%	0.824	73%	0.728	S	S	*	*				-156	123.3	105.8	-129.2	-5.5	0	0	0	112.2
254	P	33.4	Very low	31.9	Very low	84 Å²	84	136.2 Å²	136.2	55%	0.545	73%	0.731	S	S	.	*			trans	-92.6	-168.4	162	36.1	-28.4	0	0	0	110.8
255	Y	29.6	Very low	31.8	Very low	206 Å²	206	136.6 Å²	136.6	81%	0.808	73%	0.728	S	S	*	*			trans	71.4	151	-178.4	-50.4	-74.3	0	0	0	113.8
256	L	30.2	Very low	31.8	Very low	120 Å²	120	134.4 Å²	134.4	63%	0.628	73%	0.727	S	S	*	*			cis	-165.1	159.2	-9.3	-115.3	169.5	0	0	0	110.3
257	F	28.1	Very low	31.6	Very low	179 Å²	179	134 Å²	134	79%	0.785	73%	0.733	S	S	*	*			trans	60.4	149.8	160.5	-64.3	-54.3	0	0	0	118
258	C	28.2	Very low	31.5	Very low	93 Å²	93	130.1 Å²	130.1	63%	0.628	73%	0.729	S	S	*	*			cis	-159.3	157.5	8.3	-131.8	0	0	0	0	111.8
259	T	28.6	Very low	31.7	Very low	113 Å²	113	130.7 Å²	130.7	69%	0.693	73%	0.729	S	S	*	*			trans	51.5	139.2	150.9	51.9	0	0	0	0	120.1
260	S	32.6	Very low	31.4	Very low	99 Å²	99	128.6 Å²	128.6	69%	0.692	73%	0.728	S	S	*	*			cis	-179.2	161.9	14.1	34.6	0	0	0	0	108.2
261	H	35.7	Very low	31.4	Very low	163 Å²	163	126.9 Å²	126.9	76%	0.755	73%	0.729	S	S	*	*			cis	-163.5	177	-9	-103.8	-49.7	0	0	0	108
262	S	32.9	Very low	31.1	Very low	93 Å²	93	129.8 Å²	129.8	65%	0.65	74%	0.735	S	S	*	*			trans	48.9	124.6	149.4	57.2	0	0	0	0	121
263	D	36.2	Very low	31.3	Very low	134 Å²	134	132.9 Å²	132.9	72%	0.717	75%	0.747	S	S	*	*			cis	-149.8	142.7	1.9	-79.8	-41.1	0	0	0	107.7
264	I	32.5	Very low	31.1	Very low	146 Å²	146	131.1 Å²	131.1	75%	0.749	74%	0.742	S	S	*	*				68.2	124.4	61.8	-62.2	172.7	0	0	0	109.9
265	E	33.5	Very low	31	Very low	185 Å²	185	135.4 Å²	135.4	86%	0.864	76%	0.755	S	S	*	*			cis	-120.9	170.4	27.9	-63.6	-177.1	116.7	0	0	116.6
266	V	30.1	Very low	30.9	Very low	132 Å²	132	134.4 Å²	134.4	80%	0.8	76%	0.758	S	S	*	*			trans	-130	136.9	168.4	169.4	0	0	0	0	109.1
267	A	31.2	Very low	31	Very low	98 Å²	98	134.4 Å²	134.4	81%	0.81	77%	0.768	S	S	*	*			trans	-136.4	96	172.7	0	0	0	0	0	111.5
268	S	29.4	Very low	31.1	Very low	107 Å²	107	130.9 Å²	130.9	75%	0.748	77%	0.765	S	S	*	*			trans	-114.2	93.1	-179.9	-62.1	0	0	0	0	111
269	T	32	Very low	31.3	Very low	116 Å²	116	134.2 Å²	134.2	71%	0.712	78%	0.776	S	S	*	*			trans	-143.5	110.4	-176.5	33.9	0	0	0	0	116.1
270	T	29.7	Very low	31.3	Very low	128 Å²	128	134.5 Å²	134.5	79%	0.785	78%	0.778	S	S	*	*			trans	72.2	154.7	134.3	59.8	0	0	0	0	122.5
271	S	31.6	Very low	31.2	Very low	109 Å²	109	137.2 Å²	137.2	76%	0.762	79%	0.785	S	S	*	*			trans	63.2	129.9	176.4	62.4	0	0	0	0	117.5
272	L	26.6	Very low	30.8	Very low	166 Å²	166	134 Å²	134	87%	0.869	78%	0.78	S	S	*	*			cis	66.7	87.3	35.8	-69.8	160.8	0	0	0	115.1
273	L	31.4	Very low	30.7	Very low	166 Å²	166	135.2 Å²	135.2	87%	0.869	79%	0.789	S	S	*	*			trans	-151.3	146.4	130.3	-149.1	66.7	0	0	0	112.9
274	T	29.3	Very low	30.3	Very low	117 Å²	117	137 Å²	137	72%	0.718	79%	0.793	S	S	*	*			trans	-95.7	133.5	-179.6	45.7	0	0	0	0	113.2
275	Q	31.6	Very low	30.1	Very low	174 Å²	174	141.1 Å²	141.1	81%	0.813	80%	0.801	S	S	*	*			trans	-172.8	112.2	145.9	-103.7	150.2	88.1	0	0	106.6
276	Q	28.2	Very low	29.8	Very low	184 Å²	184	138.5 Å²	138.5	86%	0.86	80%	0.797	S	S	*	*				42	91.5	71.5	-80.5	-168	-25.2	0	0	114.2
277	S	32.4	Very low	29.5	Very low	121 Å²	121	138.4 Å²	138.4	85%	0.846	80%	0.801	S	S	*	*				-179.3	151.7	112	-77	0	0	0	0	112.1
278	S	29.8	Very low	29.4	Very low	104 Å²	104	143 Å²	143	73%	0.727	81%	0.806	S	S	*	*			trans	-67.9	150.5	175.7	44.7	0	0	0	0	113.7
279	L	31.2	Very low	29.4	Very low	164 Å²	164	143 Å²	143	86%	0.859	81%	0.806	S	S	*	*				-165	166.3	108.1	-124.3	87.8	0	0	0	112.3
280	T	29.1	Very low	29.2	Very low	118 Å²	118	141.1 Å²	141.1	72%	0.724	81%	0.809	S	S	*	*			trans	-99.9	142.7	-173.9	45	0	0	0	0	113.6
281	N	30.8	Very low	29.2	Very low	157 Å²	157	144.7 Å²	144.7	84%	0.84	81%	0.81	S	S	*	*			trans	-167.1	119	141.9	-96.1	-40.3	0	0	0	107.6
282	S	27.3	Very low	28.9	Very low	95 Å²	95	149.5 Å²	149.5	66%	0.664	82%	0.818	S	S	*	*				74.8	105.2	74.8	-168.8	0	0	0	0	112.5
283	S	31.3	Very low	29	Very low	118 Å²	118	147.1 Å²	147.1	83%	0.825	82%	0.815	S	S	*	*			trans	-152.4	122.1	161.4	-76.3	0	0	0	0	107.5
284	Q	26.9	Very low	29	Very low	173 Å²	173	143.2 Å²	143.2	81%	0.808	81%	0.807	S	S	*	*			trans	-87.4	140	-172.9	-63.4	160.4	-39.2	0	0	110.1
285	Y	28.4	Very low	29	Very low	232 Å²	232	141.8 Å²	141.8	91%	0.91	82%	0.815	S	S	*	*			trans	-124.7	127.9	152.6	-87.6	-83.3	0	0	0	108.6
286	T	27.9	Very low	28.9	Very low	129 Å²	129	141.2 Å²	141.2	79%	0.791	82%	0.815	S	S	*	*			trans	-85.1	148.4	-167.9	38.7	0	0	0	0	112.8	E288	T286-E288 PolarHBondContact O-N 2.91Å
287	C	24.5	Very low	29	Very low	131 Å²	131	135.4 Å²	135.4	89%	0.885	81%	0.805	S	S	*	*			trans	-63.3	121.7	167.8	-47.5	0	0	0	0	110
288	E	29.1	Very low	28.9	Very low	193 Å²	193	135.7 Å²	135.7	90%	0.902	80%	0.802	S	S	*	*			trans	-87.5	111.2	172.1	-164.5	162.8	-137.3	0	0	109.8	T286	T286-E288 PolarHBondContact O-N 2.91Å
289	S	28.1	Very low	29	Very low	108 Å²	108	136.5 Å²	136.5	76%	0.755	81%	0.805	S	S	*	*			trans	-91.9	117.2	-176.7	-173.6	0	0	0	0	110.8	Y291	S289-Y291 VanDerWaalsContact C-N 3.35Å; S289-Y291 PolarHBondContact O-N 3.36Å
290	G	28.9	Very low	29	Very low	76 Å²	76	135.7 Å²	135.7	78%	0.784	81%	0.806	S	S	*	*			trans	-73.4	75.8	-176.8	0	0	0	0	0	114.8
291	Y	28.1	Very low	28.9	Very low	203 Å²	203	132.8 Å²	132.8	80%	0.796	80%	0.8	S	S	*	*			trans	47.3	87.5	156	-70.3	-89.1	0	0	0	118.5	S289	S289-Y291 VanDerWaalsContact C-N 3.35Å; S289-Y291 PolarHBondContact O-N 3.36Å
292	F	27	Very low	28.9	Very low	211 Å²	211	133.9 Å²	133.9	93%	0.925	80%	0.798	S	S	*	*			trans	-81.6	114.7	140.9	-98.8	-91.4	0	0	0	109	A294	F292-A294 PolarHBondContact O-N 3.14Å; F292-A294 VanDerWaalsContact O-N 3.08Å
293	S	28.7	Very low	29	Very low	116 Å²	116	140 Å²	140	81%	0.811	81%	0.806	S	S	*	*			trans	-79.7	85	173.6	-71.7	0	0	0	0	111.7
294	A	30.5	Very low	28.8	Very low	84 Å²	84	138.6 Å²	138.6	69%	0.694	80%	0.797	S	S	*	*			trans	-95.5	104.4	164.3	0	0	0	0	0	109.5	F292 I296	F292-A294 PolarHBondContact O-N 3.14Å; F292-A294 VanDerWaalsContact O-N 3.08Å; A294-I296 PolarHBondContact O-N 3.45Å
295	G	29.5	Very low	28.8	Very low	86 Å²	86	139.6 Å²	139.6	89%	0.887	80%	0.799	S	S	*	*			trans	-66	128.6	-178.4	0	0	0	0	0	112.8
296	I	30	Very low	28.9	Very low	162 Å²	162	133 Å²	133	83%	0.831	79%	0.785	S	S	*	*			trans	-97.4	135.9	-176.8	-60.3	171.9	0	0	0	110.5	A294 T298	A294-I296 PolarHBondContact O-N 3.45Å; I296-T298 HydrophobicContact CG2-CG2 4.38Å
297	G	30.4	Very low	29.1	Very low	63 Å²	63	130.9 Å²	130.9	65%	0.649	77%	0.773	S	S	*	*			trans	-163.6	55.8	175.6	0	0	0	0	0	111.8
298	T	30.1	Very low	29.4	Very low	126 Å²	126	126.5 Å²	126.5	77%	0.773	74%	0.742	S	S	*	*				82.9	142.1	105.4	52.9	0	0	0	0	115.3	I296	I296-T298 HydrophobicContact CG2-CG2 4.38Å
299	P	30.7	Very low	29.5	Very low	121 Å²	121	124 Å²	124	79%	0.786	74%	0.735	S	S	*	*			trans	-126.9	140.6	-142.6	36.6	-19.6	0	0	0	116.9
300	V	31.8	Very low	29.6	Very low	147 Å²	147	124.1 Å²	124.1	89%	0.891	74%	0.736	S	S	*	*			trans	-147.6	138.6	158.3	-168.4	0	0	0	0	107.1
301	G	27.4	Very low	29.8	Very low	58 Å²	58	127.6 Å²	127.6	60%	0.598	74%	0.736	S	S	*	*			cis	165.6	142.6	-7.7	0	0	0	0	0	111.2
302	F	29.5	Very low	29.8	Very low	179 Å²	179	126.3 Å²	126.3	79%	0.785	74%	0.737	S	S	*	*			trans	79.3	111.4	170.7	-57.5	-72.6	0	0	0	121.6
303	R	30.3	Very low	30.1	Very low	223 Å²	223	125.4 Å²	125.4	84%	0.842	74%	0.735	S	S	*	*				73.2	105.4	128.8	-64.3	174.9	-175	-79.1	-2.1	120.2
304	S	26.8	Very low	30.2	Very low	90 Å²	90	127.6 Å²	127.6	63%	0.629	73%	0.733	S	S	*	*			trans	-68	156.8	157.7	52	0	0	0	0	114.3
305	F	27.1	Very low	30.3	Very low	193 Å²	193	131.9 Å²	131.9	85%	0.846	74%	0.743	S	S	*	*				-179.2	168.4	119.9	-93.9	-52.4	0	0	0	111.6
306	P	31.4	Very low	30.4	Very low	95 Å²	95	136.6 Å²	136.6	62%	0.617	74%	0.739	S	S	*	*				-116.8	-174.1	-125.8	46.7	-36.1	0	0	0	115.7
307	P	30.8	Very low	30.5	Very low	84 Å²	84	135 Å²	135	55%	0.545	74%	0.737	S	S	.	*			trans	-107.6	169.7	-157.9	41.6	-36.6	0	0	0	117.7	H436	P307-H436 VanDerWaalsContact CA-CD2 3.47Å; P307-H436 WeakPolarHBondContact CA-CD2 3.33Å; P307-H436 VanDerWaalsContact CA-CG 3.49Å; P307-H436 VanDerWaalsContact CB-CE1 3.44Å; P307-H436 WeakPolarHBondContact CB-CE1 3.45Å
308	T	30.8	Very low	30.5	Very low	39 Å²	39	137.5 Å²	137.5	24%	0.239	74%	0.741	C	S	.	*			trans	-172.7	-176.1	159.5	17.3	0	0	0	0	113.7	H436 T437 E438	T308-H436 PolarHBondContact N-ND1 2.77Å; T308-H436 PolarHBondContact O-ND1 2.99Å; T308-T437 VanDerWaalsContact CB-O 3.24Å; T308-T437 WeakPolarHBondContact CB-O 3.13Å; T308-T437 PolarHBondContact OG1-O 3.35Å; T308-E438 HydrophobicContact CG2-CB 4.22Å; T308-E438 HydrophobicContact CG2-CG 3.81Å; T308-E438 VanDerWaalsContact OG1-CG 3.23Å; T308-E438 WeakPolarHBondContact OG1-CG 3.4Å; T308-E438 PolarHBondContact OG1-N 2.99Å
309	N	32.2	Very low	30.6	Very low	139 Å²	139	141.1 Å²	141.1	74%	0.743	75%	0.747	S	S	*	*			trans	-128.2	167.1	-150	-68.6	-44.6	0	0	0	115.6
310	S	29.3	Very low	30.5	Very low	111 Å²	111	141.2 Å²	141.2	78%	0.776	75%	0.751	S	S	*	*				133.5	172.5	129.5	74.6	0	0	0	0	116.7
311	L	32.5	Very low	30.5	Very low	150 Å²	150	138 Å²	138	79%	0.785	74%	0.74	S	S	*	*			trans	68.3	100.2	-172.2	-57.5	169.3	0	0	0	114.2
312	Q	29.6	Very low	30.8	Very low	175 Å²	175	140.7 Å²	140.7	82%	0.818	74%	0.74	S	S	*	*				55.5	115	72.5	-65.8	-167.2	-6.9	0	0	115.1
313	H	33.6	Very low	31	Very low	192 Å²	192	139.7 Å²	139.7	89%	0.889	74%	0.742	S	S	*	*			trans	-154.1	162.4	132.9	-110.8	-76.9	0	0	0	111.5
314	Q	30.5	Very low	31.1	Very low	163 Å²	163	133.6 Å²	133.6	76%	0.762	73%	0.729	S	S	*	*			trans	-91	141.8	-157.4	-56.3	163.2	-8.5	0	0	114.9
315	L	32.7	Very low	31.6	Very low	173 Å²	173	134.8 Å²	134.8	91%	0.906	73%	0.725	S	S	*	*			trans	-175.8	101.6	148.6	-103	147.8	0	0	0	107.3
316	K	32	Very low	32	Very low	186 Å²	186	135.2 Å²	135.2	81%	0.809	73%	0.729	S	S	*	*			cis	84.5	63.7	37.2	-156.5	-170.4	177.4	178.4	0	115.5
317	T	31.6	Very low	32.2	Very low	128 Å²	128	137.4 Å²	137.4	79%	0.785	73%	0.734	S	S	*	*			trans	-153.2	129.4	147.2	23.4	0	0	0	0	109.8
318	P	30	Very low	32.4	Very low	115 Å²	115	140 Å²	140	75%	0.747	73%	0.733	S	S	*	*			trans	-97.2	137.5	175.6	35.3	-30.2	0	0	0	112.1
319	F	31.5	Very low	32.5	Very low	202 Å²	202	147.4 Å²	147.4	89%	0.886	77%	0.765	S	S	*	*			trans	-138.1	95.8	161.3	-94.6	-76.1	0	0	0	111	A321	F319-A321 PolarHBondContact O-N 3.46Å
320	S	29.8	Very low	32.5	Very low	124 Å²	124	145 Å²	145	87%	0.867	77%	0.765	S	S	*	*			trans	-83.3	98.3	170.9	51.6	0	0	0	0	110.1
321	A	31.7	Very low	32.6	Very low	80 Å²	80	147.9 Å²	147.9	66%	0.661	77%	0.766	S	S	*	*			trans	-147.6	93	175.7	0	0	0	0	0	113.3	F319	F319-A321 PolarHBondContact O-N 3.46Å
322	N	32.4	Very low	32.4	Very low	114 Å²	114	146.6 Å²	146.6	61%	0.61	76%	0.764	S	S	*	*			trans	47.1	89.5	135.1	-163.7	15	0	0	0	119	T324	N322-T324 PolarHBondContact O-N 2.89Å; N322-T324 VanDerWaalsContact O-N 3.16Å; N322-T324 WeakPolarHBondContact OD1-CB 3.38Å; N322-T324 PolarHBondContact OD1-N 3.07Å; N322-T324 PolarHBondContact OD1-OG1 2.86Å
323	I	34.1	Very low	32.6	Very low	158 Å²	158	144.3 Å²	144.3	81%	0.81	77%	0.765	S	S	*	*	S	Bend	trans	-75	6.6	172.3	-66.6	172.8	0	0	0	112.6	E325	I323-E325 PolarHBondContact O-N 2.71Å
324	T	33.3	Very low	32.2	Very low	95 Å²	95	146.2 Å²	146.2	58%	0.583	77%	0.765	S	S	*	*	S	Bend	trans	-90	8.1	-165	-31.4	0	0	0	0	115.8	N322 R328	N322-T324 PolarHBondContact O-N 2.89Å; N322-T324 VanDerWaalsContact O-N 3.16Å; N322-T324 WeakPolarHBondContact OD1-CB 3.38Å; N322-T324 PolarHBondContact OD1-N 3.07Å; N322-T324 PolarHBondContact OD1-OG1 2.86Å; T324-R328 PolarHBondContact O-NH2 3Å
325	E	36.6	Very low	32.1	Very low	114 Å²	114	143.1 Å²	143.1	53%	0.533	76%	0.762	S	S	.	*	S	Bend	trans	-123.5	-26.1	-179	-62	-138.5	121.3	0	0	116.6	I323 I327 R328	I323-E325 PolarHBondContact O-N 2.71Å; E325-I327 PolarHBondContact O-N 2.94Å; E325-R328 WeakPolarHBondContact O-CB 3.36Å; E325-R328 PolarHBondContact O-N 2.9Å; E325-R328 IonicContact OE1-CZ 3.51Å; E325-R328 IonicContact OE1-NH1 2.78Å; E325-R328 PolarHBondContact OE1-NH1 2.76Å; E325-R328 IonicContact OE1-NH2 3.33Å; E325-R328 PolarHBondContact OE1-NH2 3.29Å
326	Q	35.6	Very low	31.9	Very low	202 Å²	202	141.2 Å²	141.2	94%	0.944	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-1.4	-178.8	-79.7	-168.3	-14.2	0	0	115.6
327	I	36.6	Very low	31.8	Very low	141 Å²	141	137.7 Å²	137.7	72%	0.723	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-8.9	168.5	-60.6	177.1	0	0	0	111.1	E325 Q329	E325-I327 PolarHBondContact O-N 2.94Å; I327-Q329 VanDerWaalsContact C-N 3.26Å; I327-Q329 PolarHBondContact O-N 3.46Å; I327-Q329 VanDerWaalsContact O-N 3.09Å
328	R	34	Very low	31.6	Very low	138 Å²	138	135.8 Å²	135.8	52%	0.521	74%	0.736	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.5	13.4	-167.4	-149.6	-177.6	-70.9	170.2	5.2	115.6	T324 E325	T324-R328 PolarHBondContact O-NH2 3Å; E325-R328 WeakPolarHBondContact O-CB 3.36Å; E325-R328 PolarHBondContact O-N 2.9Å; E325-R328 IonicContact OE1-CZ 3.51Å; E325-R328 IonicContact OE1-NH1 2.78Å; E325-R328 PolarHBondContact OE1-NH1 2.76Å; E325-R328 IonicContact OE1-NH2 3.33Å; E325-R328 PolarHBondContact OE1-NH2 3.29Å
329	Q	34.1	Very low	31.9	Very low	196 Å²	196	139.2 Å²	139.2	92%	0.916	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	2.3	175	-75.2	-171.6	-20.4	0	0	114.7	I327 Q331	I327-Q329 VanDerWaalsContact C-N 3.26Å; I327-Q329 PolarHBondContact O-N 3.46Å; I327-Q329 VanDerWaalsContact O-N 3.09Å; Q329-Q331 PolarHBondContact O-N 2.94Å
330	A	31.8	Very low	31.8	Very low	88 Å²	88	138.4 Å²	138.4	73%	0.727	73%	0.725	S	S	*	*			trans	-97.5	58.9	169.7	0	0	0	0	0	111.2	T332	A330-T332 PolarHBondContact O-N 3.35Å
331	Q	29.8	Very low	31.7	Very low	172 Å²	172	142.3 Å²	142.3	80%	0.804	72%	0.721	S	S	*	*			trans	-83.1	93.6	177.5	-76	-170.8	-24.1	0	0	111.9	Q329	Q329-Q331 PolarHBondContact O-N 2.94Å
332	T	30	Very low	31.5	Very low	122 Å²	122	144.3 Å²	144.3	75%	0.748	73%	0.725	S	S	*	*			trans	-117.9	134.5	151.4	47.7	0	0	0	0	108.8	A330	A330-T332 PolarHBondContact O-N 3.35Å
333	P	32.9	Very low	31.2	Very low	127 Å²	127	143.7 Å²	143.7	83%	0.825	74%	0.736	S	S	*	*			trans	-72.4	138.4	-171.2	28	-34.3	0	0	0	111.7	S335	P333-S335 PolarHBondContact O-N 3.19Å
334	Y	26.1	Very low	30.9	Very low	232 Å²	232	140.9 Å²	140.9	91%	0.91	73%	0.73	S	S	*	*			trans	-63.4	100.8	169.9	-81.9	-97	0	0	0	110.1
335	S	27.9	Very low	30.6	Very low	98 Å²	98	144.3 Å²	144.3	69%	0.685	75%	0.745	S	S	*	*			trans	-72.6	128.9	160.1	-171.7	0	0	0	0	108.9	P333 V337	P333-S335 PolarHBondContact O-N 3.19Å; S335-V337 PolarHBondContact O-N 3.37Å; S335-V337 VanDerWaalsContact O-N 3.07Å
336	V	28.8	Very low	30.3	Very low	134 Å²	134	144.1 Å²	144.1	81%	0.812	76%	0.756	S	S	*	*			trans	-73.5	99.8	172.1	178.5	0	0	0	0	107.7	D338	V336-D338 PolarHBondContact O-N 3.17Å
337	V	28.8	Very low	29.9	Very low	112 Å²	112	139 Å²	139	68%	0.679	74%	0.743	S	S	*	*			trans	-67.6	102	175.1	179.6	0	0	0	0	108.9	S335 W339	S335-V337 PolarHBondContact O-N 3.37Å; S335-V337 VanDerWaalsContact O-N 3.07Å; V337-W339 VanDerWaalsContact C-N 3.27Å; V337-W339 PolarHBondContact O-N 3.05Å
338	D	28.1	Very low	29.5	Very low	88 Å²	88	139.3 Å²	139.3	47%	0.471	74%	0.744	S	S	.	*			trans	-70.7	83.9	171.8	-177.2	13.7	0	0	0	110.1	V336 R340 R341	V336-D338 PolarHBondContact O-N 3.17Å; D338-R340 PolarHBondContact O-N 3.16Å; D338-R340 PolarHBondContact OD1-N 2.93Å; D338-R341 PolarHBondContact O-N 2.94Å; D338-R341 VanDerWaalsContact O-N 3.14Å; D338-R341 IonicContact OD2-NE 3.41Å
339	W	35.9	Very low	29.3	Very low	187 Å²	187	140.7 Å²	140.7	71%	0.708	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	6.6	179.5	58.6	-79.9	0	0	0	114.3	V337	V337-W339 VanDerWaalsContact C-N 3.27Å; V337-W339 PolarHBondContact O-N 3.05Å
340	R	29.4	Very low	29.2	Very low	184 Å²	184	139.4 Å²	139.4	69%	0.694	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	8.6	170.2	-64.7	-171	168.2	-154.5	-3	113.8	D338	D338-R340 PolarHBondContact O-N 3.16Å; D338-R340 PolarHBondContact OD1-N 2.93Å
341	R	27.3	Very low	28.9	Very low	207 Å²	207	141.5 Å²	141.5	78%	0.781	75%	0.754	S	S	*	*	S	Bend	trans	-139.8	57.1	-178.6	-68.3	-175.5	173.1	-94.3	0.9	116.1	D338	D338-R341 PolarHBondContact O-N 2.94Å; D338-R341 VanDerWaalsContact O-N 3.14Å; D338-R341 IonicContact OD2-NE 3.41Å
342	T	27.6	Very low	29	Very low	122 Å²	122	141.4 Å²	141.4	75%	0.748	76%	0.758	S	S	*	*			trans	-149.7	77.6	165.9	22	0	0	0	0	112.6
343	A	26.4	Very low	28.9	Very low	101 Å²	101	141 Å²	141	84%	0.835	76%	0.76	S	S	*	*	S	Bend	trans	-145.5	44.2	164.2	0	0	0	0	0	109.5
344	S	27.5	Very low	28.7	Very low	99 Å²	99	142.4 Å²	142.4	69%	0.692	76%	0.761	S	S	*	*	S	Bend	trans	-155.5	129.4	-176.2	-49.1	0	0	0	0	108.7
345	D	26.5	Very low	29.1	Very low	167 Å²	167	138.6 Å²	138.6	89%	0.893	76%	0.755	S	S	*	*			trans	43	90	164.6	-52.6	-27.5	0	0	0	117.8
346	S	30.7	Very low	29.1	Very low	109 Å²	109	142.4 Å²	142.4	76%	0.762	76%	0.761	S	S	*	*			trans	-135.7	81.1	166.7	-71.7	0	0	0	0	111	I348	S346-I348 PolarHBondContact O-N 3.09Å
347	S	28.1	Very low	29.3	Very low	95 Å²	95	143.5 Å²	143.5	66%	0.664	76%	0.762	S	S	*	*			trans	-12.9	113.3	168.2	156.3	0	0	0	0	116.8	H349	S347-H349 PolarHBondContact OG-CD2 3.28Å; S347-H349 PolarHBondContact OG-N 3.26Å
348	I	28.2	Very low	29.4	Very low	147 Å²	147	145 Å²	145	75%	0.754	77%	0.766	S	S	*	*			trans	-106.6	82.3	145.9	-57.6	-179	0	0	0	107.6	S346 H350	S346-I348 PolarHBondContact O-N 3.09Å; I348-H350 PolarHBondContact O-N 2.89Å
349	H	28.5	Very low	29.6	Very low	168 Å²	168	146.4 Å²	146.4	78%	0.778	78%	0.78	S	S	*	*			trans	-73.7	89.5	167.4	-92.5	-76.1	0	0	0	109.9	S347	S347-H349 PolarHBondContact OG-CD2 3.28Å; S347-H349 PolarHBondContact OG-N 3.26Å
350	H	32.4	Very low	29.5	Very low	169 Å²	169	145.3 Å²	145.3	78%	0.782	79%	0.787	S	S	*	*			trans	-115.5	127.7	162.7	-76.3	-30.6	0	0	0	110.8	I348 L352	I348-H350 PolarHBondContact O-N 2.89Å; H350-L352 PolarHBondContact O-N 3.29Å
351	T	26.6	Very low	29.8	Very low	131 Å²	131	143.1 Å²	143.1	80%	0.804	78%	0.784	S	S	*	*			trans	-80	111.2	-163.5	46.2	0	0	0	0	112.7
352	L	30.9	Very low	30	Very low	171 Å²	171	142.3 Å²	142.3	90%	0.895	79%	0.789	S	S	*	*			trans	-134.4	72.9	159.5	-77.1	178.1	0	0	0	109.1	H350	H350-L352 PolarHBondContact O-N 3.29Å
353	S	28.6	Very low	30.1	Very low	114 Å²	114	145.4 Å²	145.4	80%	0.797	79%	0.789	S	S	*	*			trans	-137.5	46.9	-177.9	-54.1	0	0	0	0	111.5
354	D	29.1	Very low	30.5	Very low	156 Å²	156	146.8 Å²	146.8	83%	0.834	79%	0.787	S	S	*	*			trans	-153.2	59.4	174.5	-107.8	-31.8	0	0	0	111.8
355	I	32.8	Very low	30.8	Very low	151 Å²	151	153.2 Å²	153.2	77%	0.774	80%	0.797	S	S	*	*			trans	-127.5	103.1	159	-61.1	-177.3	0	0	0	107.8	L357	I355-L357 HydrophobicContact CG2-CG 4.49Å; I355-L357 PolarHBondContact O-N 3.1Å
356	Q	28.8	Very low	31.2	Very low	178 Å²	178	148 Å²	148	83%	0.832	78%	0.783	S	S	*	*			trans	-67.2	120.6	169.4	-68.8	178.1	-23	0	0	109.6
357	L	32.6	Very low	31.5	Very low	158 Å²	158	149.6 Å²	149.6	83%	0.827	79%	0.791	S	S	*	*			trans	-119.6	133.1	156.2	-75.7	172.7	0	0	0	108.2	I355	I355-L357 HydrophobicContact CG2-CG 4.49Å; I355-L357 PolarHBondContact O-N 3.1Å
358	N	31.1	Very low	31.8	Very low	142 Å²	142	148.5 Å²	148.5	76%	0.759	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-65.8	151.1	-166.2	-75.7	-40.5	0	0	0	112.8	I360	N358-I360 PolarHBondContact O-N 2.82Å
359	P	33.5	Very low	32.3	Very low	119 Å²	119	150.6 Å²	150.6	77%	0.773	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-62.4	124.3	175.9	26.8	-34.6	0	0	0	110.5
360	I	33.8	Very low	32.7	Very low	164 Å²	164	148.1 Å²	148.1	84%	0.841	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-72.2	131.9	168.9	-65	177.3	0	0	0	108.3	N358	N358-I360 PolarHBondContact O-N 2.82Å
361	E	34.2	Very low	32.8	Very low	138 Å²	138	147 Å²	147	65%	0.645	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-67.1	131.7	-169.1	-63.8	171.4	117	0	0	112.7	Y363	E361-Y363 VanDerWaalsContact C-N 3.27Å; E361-Y363 HydrophobicContact CB-CD2 3.92Å; E361-Y363 HydrophobicContact CB-CE2 3.87Å; E361-Y363 PolarHBondContact O-N 2.98Å; E361-Y363 WeakPolarHBondContact OE2-CE2 3.46Å
362	Q	31.5	Very low	33.3	Very low	189 Å²	189	148.8 Å²	148.8	88%	0.883	79%	0.787	S	S	*	*			trans	-73.3	78.7	172.1	-72.5	-174.2	-21.7	0	0	111	T364	Q362-T364 PolarHBondContact O-N 3.03Å
363	Y	30.8	Very low	33.4	Very low	187 Å²	187	145.2 Å²	145.2	73%	0.733	78%	0.777	S	S	*	*			trans	-66.8	94.9	173.5	-90.6	-76.3	0	0	0	111.6	E361 Y365	E361-Y363 VanDerWaalsContact C-N 3.27Å; E361-Y363 HydrophobicContact CB-CD2 3.92Å; E361-Y363 HydrophobicContact CB-CE2 3.87Å; E361-Y363 PolarHBondContact O-N 2.98Å; E361-Y363 WeakPolarHBondContact OE2-CE2 3.46Å; Y363-Y365 PolarHBondContact O-N 3.31Å
364	T	35	Very low	33.7	Very low	130 Å²	130	149.4 Å²	149.4	80%	0.798	78%	0.783	S	S	*	*			trans	-67.9	125.2	172.3	-63.5	0	0	0	0	109.9	Q362 G366	Q362-T364 PolarHBondContact O-N 3.03Å; T364-G366 PolarHBondContact O-N 2.9Å
365	Y	33.1	Very low	33.9	Very low	234 Å²	234	149.1 Å²	149.1	92%	0.918	78%	0.78	S	S	*	*			trans	-67.4	102.1	179	-94.3	-97.1	0	0	0	112.2	Y363	Y363-Y365 PolarHBondContact O-N 3.31Å
366	G	34.1	Very low	34	Very low	57 Å²	57	150.2 Å²	150.2	59%	0.588	79%	0.786	S	S	*	*			trans	-89.5	139.8	162.6	0	0	0	0	0	111.5	T364 G368	T364-G366 PolarHBondContact O-N 2.9Å; G366-G368 PolarHBondContact O-N 3.22Å
367	P	37	Very low	34	Very low	144 Å²	144	146.4 Å²	146.4	94%	0.935	78%	0.78	S	S	*	*			trans	-76.2	90	-178.1	30	-34.3	0	0	0	112.1
368	G	34.8	Very low	34.2	Very low	72 Å²	72	145.4 Å²	145.4	74%	0.742	78%	0.782	S	S	*	*			trans	-125.6	108.5	-175.2	0	0	0	0	0	114.1	G366	G366-G368 PolarHBondContact O-N 3.22Å
369	K	38.4	Very low	34.3	Very low	190 Å²	190	149.7 Å²	149.7	83%	0.826	79%	0.788	S	S	*	*			trans	-47.3	150	-174.1	-59.3	173.1	178.3	177.7	0	118
370	T	36.7	Very low	34	Very low	117 Å²	117	149.4 Å²	149.4	72%	0.718	79%	0.789	S	S	*	*			trans	72.9	116.2	141	43.9	0	0	0	0	122.6
371	E	36.4	Very low	34.1	Very low	146 Å²	146	149.2 Å²	149.2	68%	0.682	79%	0.788	S	S	*	*			trans	96.7	128.8	131.3	-74.5	-174.5	-148	0	0	123.3
372	K	37.2	Very low	33.9	Very low	167 Å²	167	150.7 Å²	150.7	73%	0.726	80%	0.797	S	S	*	*			trans	72.1	78.6	145.3	-69.5	163.9	-178.4	153.1	0	119.9
373	S	31.2	Very low	33.8	Very low	97 Å²	97	146.8 Å²	146.8	68%	0.678	79%	0.79	S	S	*	*				46.2	120.7	117.2	63.5	0	0	0	0	120.6
374	H	35.3	Very low	34	Very low	201 Å²	201	142.7 Å²	142.7	93%	0.931	79%	0.789	S	S	*	*			trans	-146.5	147.2	131.5	-101.1	-77	0	0	0	110.2
375	I	33.5	Very low	33.9	Very low	150 Å²	150	143.6 Å²	143.6	77%	0.769	79%	0.789	S	S	*	*			trans	-108.4	129.8	-177.2	-61.7	167.8	0	0	0	109
376	L	34.5	Very low	34	Very low	174 Å²	174	141.7 Å²	141.7	91%	0.911	79%	0.788	S	S	*	*			trans	-140.1	122.2	162.8	-75.7	177.1	0	0	0	109.8
377	S	30.1	Very low	33.7	Very low	99 Å²	99	149.6 Å²	149.6	69%	0.692	80%	0.802	S	S	*	*			trans	-96	144.7	169.2	-54.6	0	0	0	0	109.9
378	P	36	Very low	33.4	Very low	136 Å²	136	152.7 Å²	152.7	88%	0.883	80%	0.801	S	S	*	*			trans	-62.1	138.9	167.9	-17.3	30.9	0	0	0	110.2
379	R	32.5	Very low	33.1	Very low	233 Å²	233	160.5 Å²	160.5	88%	0.879	81%	0.808	S	S	*	*			trans	-126.1	132.8	178.4	-155.7	178.7	-168	-173.1	2.9	108.8
380	S	28.1	Very low	32.8	Very low	113 Å²	113	157.3 Å²	157.3	79%	0.79	81%	0.807	S	S	*	*			trans	-61.4	141.1	177.4	-178.6	0	0	0	0	111.4
381	I	34.8	Very low	32.4	Very low	159 Å²	159	156.5 Å²	156.5	82%	0.815	81%	0.812	S	S	*	*			trans	-135.1	122.7	170.7	-56	179.5	0	0	0	107.1
382	M	30.3	Very low	32.3	Very low	169 Å²	169	156 Å²	156	83%	0.833	82%	0.823	S	S	*	*			trans	-87.4	165.7	172.1	-69.7	172.3	60.4	0	0	111.4
383	S	30.9	Very low	32.2	Very low	107 Å²	107	156.9 Å²	156.9	75%	0.748	83%	0.827	S	S	*	*			trans	94	152.4	143.5	-164.9	0	0	0	0	119
384	S	35.1	Very low	32.2	Very low	102 Å²	102	160.1 Å²	160.1	71%	0.713	84%	0.836	S	S	*	*			trans	83.5	114.4	160.1	-4.1	0	0	0	0	116.9
385	D	31.2	Very low	32	Very low	148 Å²	148	162.2 Å²	162.2	79%	0.791	84%	0.836	S	S	*	*			trans	-50.4	152.5	166.2	-39.1	-94.8	0	0	0	112.4
386	H	35.4	Very low	31.8	Very low	195 Å²	195	158.2 Å²	158.2	90%	0.903	83%	0.831	S	S	*	*			trans	-163.9	146.9	130.4	-102.7	31.4	0	0	0	111.3
387	Y	27.7	Very low	31.9	Very low	223 Å²	223	156.3 Å²	156.3	88%	0.875	83%	0.826	S	S	*	*			trans	-69	139.9	-179.7	-80.7	-118.3	0	0	0	112.2
388	F	31.3	Very low	32.3	Very low	208 Å²	208	159.3 Å²	159.3	91%	0.912	83%	0.83	S	S	*	*			trans	-158.8	125.2	139.1	-108.4	-71.2	0	0	0	112.3
389	R	28.6	Very low	32.2	Very low	237 Å²	237	161.9 Å²	161.9	89%	0.894	83%	0.83	S	S	*	*			trans	-100.9	129.7	163	-88.7	-171	173	-158.5	-0.3	109.3
390	P	32.4	Very low	32.4	Very low	123 Å²	123	160.2 Å²	160.2	80%	0.799	83%	0.832	S	S	*	*			trans	-83	148	160.9	32.5	-29.6	0	0	0	110.6
391	A	28.8	Very low	32.9	Very low	100 Å²	100	163.6 Å²	163.6	83%	0.826	84%	0.835	S	S	*	*			trans	-130.6	125.4	172.6	0	0	0	0	0	109.9
392	C	32.7	Very low	33.1	Very low	136 Å²	136	163.2 Å²	163.2	92%	0.919	84%	0.84	S	S	*	*			trans	-103.1	158.4	176.5	-67.3	0	0	0	0	111
393	K	35.5	Very low	33.3	Very low	185 Å²	185	159.9 Å²	159.9	80%	0.804	83%	0.834	S	S	*	*			trans	-152.9	146.9	-153.7	-158.7	179.6	-173.1	178.7	0	111.4
394	L	32.3	Very low	33.6	Very low	165 Å²	165	161.2 Å²	161.2	86%	0.864	83%	0.833	S	S	*	*			trans	69.4	150.7	-178.8	-40.3	170.8	0	0	0	111.7
395	R	31.3	Very low	33.8	Very low	245 Å²	245	163.4 Å²	163.4	93%	0.925	84%	0.835	S	S	*	*			cis	-157.9	155.2	-1.2	-155.9	178	-176.7	172.4	0.4	106.1
396	G	29.4	Very low	34.1	Very low	66 Å²	66	164 Å²	164	68%	0.68	84%	0.837	S	S	*	*			cis	131.7	111.6	0.5	0	0	0	0	0	110.5
397	V	35.8	Very low	34.1	Very low	133 Å²	133	160.7 Å²	160.7	81%	0.806	83%	0.831	S	S	*	*			trans	-136.6	144.6	-173.8	177.5	0	0	0	0	110.7
398	E	37.4	Very low	34.8	Very low	163 Å²	163	155.6 Å²	155.6	76%	0.762	83%	0.825	S	S	*	*			trans	-23.2	130.9	168.5	-76.7	128	-126.4	0	0	117
399	E	34.2	Very low	35	Very low	189 Å²	189	153.6 Å²	153.6	88%	0.883	82%	0.821	S	S	*	*				90.4	111.1	62.7	-82.4	-175.3	-163	0	0	113.9
400	E	38.3	Very low	35.4	Very low	198 Å²	198	148.7 Å²	148.7	93%	0.925	81%	0.812	S	S	*	*			trans	-154.8	140.4	137.8	-157.2	166.9	-150.1	0	0	109.4
401	E	37.7	Very low	35.7	Very low	184 Å²	184	149.4 Å²	149.4	86%	0.86	81%	0.809	S	S	*	*			trans	-99.4	148.1	-176.2	-60.9	-173.9	117.6	0	0	112.4
402	T	39	Very low	36.1	Very low	151 Å²	151	150 Å²	150	93%	0.926	80%	0.803	S	S	*	*				-163	136.8	129.2	7.2	0	0	0	0	112.7
403	S	34.1	Very low	36.2	Very low	100 Å²	100	150.6 Å²	150.6	70%	0.699	80%	0.797	S	S	*	*			trans	-93.2	155.1	-170	43.6	0	0	0	0	114.2
404	N	38.2	Very low	36.2	Very low	135 Å²	135	148.2 Å²	148.2	72%	0.722	80%	0.798	S	S	*	*			trans	172.2	118.2	133.5	-83.5	-36.7	0	0	0	109.3
405	I	38.3	Very low	36.3	Very low	147 Å²	147	149.2 Å²	149.2	75%	0.754	80%	0.795	S	S	*	*				66.6	120.6	83.2	-66.5	176.5	0	0	0	111
406	L	37	Very low	36.3	Very low	160 Å²	160	149.5 Å²	149.5	84%	0.838	80%	0.797	S	S	*	*			cis	-146.9	177.5	21.8	-165.2	59.5	0	0	0	112.9
407	T	35.5	Very low	36.4	Very low	126 Å²	126	151.2 Å²	151.2	77%	0.773	80%	0.804	S	S	*	*			trans	-97.3	169.8	-171.4	37.2	0	0	0	0	116.9
408	P	42.5	Very low	36.1	Very low	117 Å²	117	150.7 Å²	150.7	76%	0.76	81%	0.805	S	S	*	*			trans	-108.6	169.7	-168.8	41.9	-36.2	0	0	0	117.1
409	M	35.6	Very low	35.8	Very low	165 Å²	165	150.7 Å²	150.7	81%	0.813	81%	0.807	S	S	*	*			trans	-158.5	168.4	166.6	-70	178.8	76.5	0	0	107.1
410	D	38.1	Very low	35.6	Very low	134 Å²	134	147.4 Å²	147.4	72%	0.717	80%	0.8	S	S	*	*			cis	-175.8	162.7	-26.4	-86.1	-14.7	0	0	0	105.8
411	D	38.9	Very low	35.4	Very low	139 Å²	139	149.8 Å²	149.8	74%	0.743	80%	0.801	S	S	*	*			cis	-167.8	-177.1	-26.3	-178.5	33.2	0	0	0	108.3
412	T	36.7	Very low	35.2	Very low	112 Å²	112	151.1 Å²	151.1	69%	0.687	80%	0.798	S	S	*	*			trans	85.1	119.3	163.4	62.9	0	0	0	0	121.9
413	D	34.2	Very low	34.9	Very low	149 Å²	149	152.1 Å²	152.1	80%	0.797	79%	0.792	S	S	*	*			trans	39.1	130.4	138.2	-80.5	-46	0	0	0	123.7
414	T	36.5	Very low	34.9	Very low	134 Å²	134	158.3 Å²	158.3	82%	0.822	80%	0.799	S	S	*	*				179.9	149.6	100	-71.2	0	0	0	0	112
415	K	33.4	Very low	34.6	Very low	187 Å²	187	157.2 Å²	157.2	81%	0.813	79%	0.794	S	S	*	*			trans	-79.1	160.4	-179.6	-64.9	176.1	-179.4	173.3	0	114.3
416	R	31.3	Very low	34.3	Very low	251 Å²	251	155 Å²	155	95%	0.947	79%	0.787	S	S	*	*			trans	87.3	111.8	170.5	-51.9	179	-171.8	-139.3	3.8	116.6
417	A	31.4	Very low	34.3	Very low	101 Å²	101	154.8 Å²	154.8	84%	0.835	78%	0.782	S	S	*	*			trans	-156.6	129.9	134.6	0	0	0	0	0	110.3
418	C	29.8	Very low	34.2	Very low	123 Å²	123	155.2 Å²	155.2	83%	0.831	78%	0.778	S	S	*	*			trans	-96	171.4	148.2	-166.9	0	0	0	0	107.1
419	M	30.8	Very low	33.8	Very low	162 Å²	162	156.6 Å²	156.6	80%	0.798	78%	0.778	S	S	*	*	S	Bend	trans	72.6	112.5	177.1	-54.6	166.2	53.2	0	0	117.3
420	T	30.8	Very low	33.6	Very low	121 Å²	121	155.7 Å²	155.7	74%	0.742	78%	0.777	S	S	*	*				42.6	100.7	121.8	-40	0	0	0	0	119.3	R422	T420-R422 HydrophobicContact CG2-CG 4.47Å
421	R	34.1	Very low	33.4	Very low	248 Å²	248	156.1 Å²	156.1	94%	0.936	78%	0.779	S	S	*	*			trans	-118.6	114.2	142.9	-68.9	-178.9	173.9	-175.7	-2.1	106.8
422	R	33.4	Very low	33.1	Very low	212 Å²	212	153.5 Å²	153.5	80%	0.8	77%	0.772	S	S	*	*				66.4	107.7	59.6	-73.9	-166.1	167.2	-177.4	-2.4	114.6	T420	T420-R422 HydrophobicContact CG2-CG 4.47Å
423	H	32.3	Very low	33	Very low	172 Å²	172	156.3 Å²	156.3	80%	0.796	78%	0.777	S	S	*	*			trans	39.3	116.4	140.8	-69.1	-81.7	0	0	0	120.5
424	R	33.6	Very low	32.8	Very low	229 Å²	229	157.8 Å²	157.8	86%	0.864	78%	0.777	S	S	*	*				-138.5	144.3	121.8	-78.6	-165.4	158.4	152.8	-2.2	108
425	D	33.5	Very low	32.7	Very low	113 Å²	113	156.8 Å²	156.8	60%	0.604	77%	0.77	S	S	*	*			cis	-149.4	154.7	-13.7	-97.3	-36.3	0	0	0	110.2
426	T	31.7	Very low	32.6	Very low	100 Å²	100	153 Å²	153	61%	0.613	76%	0.755	S	S	*	*			trans	17.4	133.6	152.7	62.7	0	0	0	0	120.3
427	H	35.5	Very low	32.6	Very low	156 Å²	156	146.2 Å²	146.2	72%	0.722	74%	0.742	S	S	*	*				-160.9	143	52.1	-91.7	-79	0	0	0	115.8
428	L	33.6	Very low	32.6	Very low	135 Å²	135	147.9 Å²	147.9	71%	0.707	73%	0.732	S	S	*	*			trans	63	116.7	138.8	-64.3	165.6	0	0	0	122.7
429	L	35.1	Very low	32.6	Very low	145 Å²	145	148.2 Å²	148.2	76%	0.759	73%	0.725	S	S	*	*			trans	60.3	116.9	139.5	-53.2	173	0	0	0	117.6
430	D	30.9	Very low	32.7	Very low	146 Å²	146	146.6 Å²	146.6	78%	0.781	73%	0.727	S	S	*	*			cis	66.2	102.3	16.3	-151.4	16.6	0	0	0	116.4
431	N	34.8	Very low	32.7	Very low	143 Å²	143	146.1 Å²	146.1	77%	0.765	72%	0.724	S	S	*	*			trans	160.2	94.7	166.1	-90.5	-23.6	0	0	0	106.7
432	S	32.3	Very low	32.6	Very low	85 Å²	85	142.5 Å²	142.5	59%	0.594	72%	0.723	S	S	*	*				82.2	124.6	72.2	77	0	0	0	0	115.5
433	H	33.5	Very low	32.5	Very low	170 Å²	170	139.5 Å²	139.5	79%	0.787	72%	0.718	S	S	*	*			trans	80.9	130.7	148.5	-73.3	-54.6	0	0	0	123.4
434	F	31.6	Very low	32.6	Very low	180 Å²	180	137.2 Å²	137.2	79%	0.789	72%	0.721	S	S	*	*			trans	99.8	109.4	138.8	-89.3	-133.2	0	0	0	122.7
435	V	34	Very low	32.4	Very low	114 Å²	114	132.9 Å²	132.9	69%	0.691	71%	0.71	S	S	*	*				86.2	148.5	128.9	174	0	0	0	0	120.1
436	H	30.3	Very low	32.4	Very low	107 Å²	107	135.7 Å²	135.7	50%	0.495	73%	0.725	S	S	.	*			trans	-127	148.2	-178.4	-66.3	-60.6	0	0	0	110.6	P307 T308	P307-H436 VanDerWaalsContact CA-CD2 3.47Å; P307-H436 WeakPolarHBondContact CA-CD2 3.33Å; P307-H436 VanDerWaalsContact CA-CG 3.49Å; P307-H436 VanDerWaalsContact CB-CE1 3.44Å; P307-H436 WeakPolarHBondContact CB-CE1 3.45Å; T308-H436 PolarHBondContact N-ND1 2.77Å; T308-H436 PolarHBondContact O-ND1 2.99Å
437	T	31.9	Very low	32.4	Very low	108 Å²	108	138.4 Å²	138.4	66%	0.663	73%	0.732	S	S	*	*			trans	-155	145.7	164.7	-54.5	0	0	0	0	110.9	T308	T308-T437 VanDerWaalsContact CB-O 3.24Å; T308-T437 WeakPolarHBondContact CB-O 3.13Å; T308-T437 PolarHBondContact OG1-O 3.35Å
438	E	31.3	Very low	32.3	Very low	137 Å²	137	136 Å²	136	64%	0.64	73%	0.731	S	S	*	*			trans	-82.4	158.5	-168.5	-63.9	-172.4	152.2	0	0	116.3	T308	T308-E438 HydrophobicContact CG2-CB 4.22Å; T308-E438 HydrophobicContact CG2-CG 3.81Å; T308-E438 VanDerWaalsContact OG1-CG 3.23Å; T308-E438 WeakPolarHBondContact OG1-CG 3.4Å; T308-E438 PolarHBondContact OG1-N 2.99Å
439	L	30.1	Very low	32.3	Very low	129 Å²	129	135.7 Å²	135.7	68%	0.675	74%	0.737	S	S	*	*			trans	22.4	146.2	146.4	-68.2	164.9	0	0	0	120.8
440	P	32.6	Very low	32	Very low	128 Å²	128	137.9 Å²	137.9	83%	0.831	74%	0.74	S	S	*	*				-130.7	153.3	104	37.1	-31.7	0	0	0	115.1
441	T	30.9	Very low	31.9	Very low	112 Å²	112	142.2 Å²	142.2	69%	0.687	75%	0.746	S	S	*	*			trans	-80.8	151.8	171.8	48.9	0	0	0	0	112.6
442	N	32.2	Very low	31.9	Very low	172 Å²	172	140 Å²	140	92%	0.92	74%	0.738	S	S	*	*			trans	-151.2	140.3	144.9	-107	-34.3	0	0	0	110.3
443	E	31.3	Very low	31.9	Very low	149 Å²	149	145.2 Å²	145.2	70%	0.696	75%	0.747	S	S	*	*			trans	-98	161	-175.6	-56.6	-176	128.1	0	0	112.4	H445	E443-H445 IonicContact OE1-CD2 3.67Å; E443-H445 IonicContact OE1-CE1 3.73Å; E443-H445 IonicContact OE1-NE2 3.57Å; E443-H445 PolarHBondContact OE1-NE2 3.36Å; E443-H445 IonicContact OE2-CD2 3.21Å; E443-H445 PolarHBondContact OE2-CD2 3.38Å; E443-H445 IonicContact OE2-NE2 2.77Å; E443-H445 PolarHBondContact OE2-NE2 3.4Å
444	S	33.3	Very low	31.6	Very low	123 Å²	123	142.8 Å²	142.8	86%	0.86	74%	0.744	S	S	*	*			trans	-144.8	106.7	140.2	53.7	0	0	0	0	110.4
445	H	30.9	Very low	31.3	Very low	138 Å²	138	139.9 Å²	139.9	64%	0.639	75%	0.745	S	S	*	*			trans	-74	138.7	175.9	-72.9	-93	0	0	0	111.2	E443	E443-H445 IonicContact OE1-CD2 3.67Å; E443-H445 IonicContact OE1-CE1 3.73Å; E443-H445 IonicContact OE1-NE2 3.57Å; E443-H445 PolarHBondContact OE1-NE2 3.36Å; E443-H445 IonicContact OE2-CD2 3.21Å; E443-H445 PolarHBondContact OE2-CD2 3.38Å; E443-H445 IonicContact OE2-NE2 2.77Å; E443-H445 PolarHBondContact OE2-NE2 3.4Å
446	L	33.3	Very low	31.2	Very low	173 Å²	173	139.7 Å²	139.7	91%	0.906	75%	0.748	S	S	*	*			trans	-139.8	85.4	165	-103.3	168.6	0	0	0	110.4
447	M	30.9	Very low	31.1	Very low	157 Å²	157	140.6 Å²	140.6	77%	0.773	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-92.2	134.1	169	-79.1	-148.3	73.3	0	0	111.4
448	P	33.8	Very low	31	Very low	106 Å²	106	144.3 Å²	144.3	69%	0.688	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-74.7	158.1	153.5	-13.8	30.6	0	0	0	111.6
449	P	33.1	Very low	31	Very low	128 Å²	128	141.6 Å²	141.6	83%	0.831	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-93.7	167	-152.5	-8.5	28.5	0	0	0	116.2
450	K	29.6	Very low	31.1	Very low	190 Å²	190	144 Å²	144	83%	0.826	78%	0.776	S	S	*	*			trans	-105.8	134.4	165.7	-80.2	179.9	175.3	172.4	0	111.1
451	R	29.2	Very low	31.1	Very low	238 Å²	238	142.5 Å²	142.5	90%	0.898	77%	0.768	S	S	*	*			trans	68.3	171.8	164	-65.2	179.6	172.5	-175.5	-3.1	114.9
452	P	34.8	Very low	31.3	Very low	95 Å²	95	141.4 Å²	141.4	62%	0.617	77%	0.765	S	S	*	*			cis	-127.5	-165.3	2.3	18	9.3	0	0	0	115.6
453	Y	31.5	Very low	31.4	Very low	196 Å²	196	141.1 Å²	141.1	77%	0.769	76%	0.763	S	S	*	*			trans	76.2	126.1	173.6	-48.8	-75.8	0	0	0	115.9
454	T	26.8	Very low	31.5	Very low	118 Å²	118	137.5 Å²	137.5	72%	0.724	77%	0.766	S	S	*	*			cis	86.1	139.8	21.5	78.2	0	0	0	0	116.9
455	C	26.1	Very low	31.3	Very low	120 Å²	120	141.1 Å²	141.1	81%	0.811	77%	0.766	S	S	*	*			trans	74.7	141.5	-179.6	-60.7	0	0	0	0	115
456	S	30.8	Very low	31.3	Very low	109 Å²	109	141.1 Å²	141.1	76%	0.762	77%	0.771	S	S	*	*			cis	-153.6	167.4	-8.4	-104.5	0	0	0	0	112.6
457	T	27.9	Very low	31	Very low	126 Å²	126	139 Å²	139	77%	0.773	77%	0.765	S	S	*	*			trans	-63	142.9	171.5	46	0	0	0	0	113.8
458	E	31.4	Very low	31	Very low	186 Å²	186	137.8 Å²	137.8	87%	0.869	77%	0.767	S	S	*	*			trans	160.4	154.7	133.4	-89.6	178.6	178.8	0	0	110
459	S	30.9	Very low	30.7	Very low	80 Å²	80	136.1 Å²	136.1	56%	0.559	76%	0.762	S	S	*	*			cis	-162.1	164.1	-35.7	66.6	0	0	0	0	109.1
460	Q	32	Very low	30.5	Very low	181 Å²	181	136.2 Å²	136.2	85%	0.846	76%	0.764	S	S	*	*			trans	69.7	143.3	164.7	-65.2	170.4	72.8	0	0	116.9
461	S	33.2	Very low	30.5	Very low	95 Å²	95	134 Å²	134	66%	0.664	76%	0.762	S	S	*	*			cis	-157.8	152.3	-7.3	49.4	0	0	0	0	113.1
462	S	34.1	Very low	30.5	Very low	90 Å²	90	131 Å²	131	63%	0.629	76%	0.76	S	S	*	*			trans	34	126.1	142.2	62.7	0	0	0	0	119.6
463	N	34.9	Very low	30.3	Very low	165 Å²	165	135.6 Å²	135.6	88%	0.882	77%	0.77	S	S	*	*			cis	-168.3	165.7	30	-90.3	-33.1	0	0	0	110.8
464	G	32.2	Very low	30.2	Very low	73 Å²	73	134.2 Å²	134.2	75%	0.753	77%	0.773	S	S	*	*			trans	118.2	95.9	156.4	0	0	0	0	0	115.9
465	F	29.2	Very low	30.3	Very low	199 Å²	199	134.7 Å²	134.7	87%	0.873	78%	0.779	S	S	*	*			trans	-66.7	150.4	152.8	-75.4	-112.2	0	0	0	107.5
466	D	31.1	Very low	30.6	Very low	138 Å²	138	135.1 Å²	135.1	74%	0.738	78%	0.778	S	S	*	*				-162.4	179.7	66.7	-135.8	-40	0	0	0	115.5	V468	D466-V468 PolarHBondContact O-N 3.39Å
467	T	28.1	Very low	30.6	Very low	128 Å²	128	135 Å²	135	79%	0.785	78%	0.775	S	S	*	*			trans	-81.9	106.1	-169.4	-44.8	0	0	0	0	112
468	V	29.7	Very low	30.6	Very low	132 Å²	132	136.2 Å²	136.2	80%	0.8	77%	0.771	S	S	*	*			trans	-89.8	115.2	175.4	-179	0	0	0	0	110.5	D466	D466-V468 PolarHBondContact O-N 3.39Å
469	A	29.1	Very low	30.8	Very low	71 Å²	71	135.2 Å²	135.2	59%	0.587	77%	0.769	S	S	*	*			trans	-67.4	140.9	170.2	0	0	0	0	0	111	D471	A469-D471 VanDerWaalsContact C-N 3.25Å; A469-D471 PolarHBondContact O-N 3.14Å
470	C	28.9	Very low	30.7	Very low	131 Å²	131	137.8 Å²	137.8	89%	0.885	78%	0.776	S	S	*	*			trans	-78.7	74.1	173.4	-66.1	0	0	0	0	110.9	M472	C470-M472 PolarHBondContact O-N 3.01Å
471	D	29	Very low	30.7	Very low	144 Å²	144	136.5 Å²	136.5	77%	0.77	78%	0.775	S	S	*	*			trans	-63.2	97.9	172.4	-79.7	-25.6	0	0	0	110.8	A469 K473	A469-D471 VanDerWaalsContact C-N 3.25Å; A469-D471 PolarHBondContact O-N 3.14Å; D471-K473 PolarHBondContact O-N 3.43Å
472	M	29.1	Very low	30.8	Very low	174 Å²	174	137.6 Å²	137.6	86%	0.857	78%	0.783	S	S	*	*			trans	-64.7	103	163.6	-87.8	176.5	54.1	0	0	108.8	C470 M474	C470-M472 PolarHBondContact O-N 3.01Å; M472-M474 PolarHBondContact O-N 2.95Å
473	K	29.3	Very low	30.6	Very low	192 Å²	192	137.2 Å²	137.2	84%	0.835	79%	0.793	S	S	*	*			trans	-56.7	101.2	178.5	-74.1	-178.3	175.5	178.5	0	111.7	D471 C475	D471-K473 PolarHBondContact O-N 3.43Å; K473-C475 PolarHBondContact O-N 3.31Å
474	M	29.4	Very low	30.4	Very low	167 Å²	167	133.1 Å²	133.1	82%	0.823	79%	0.79	S	S	*	*			trans	-69.2	120.3	160.9	-68.3	-66.7	-77.7	0	0	108.6	M472 T476	M472-M474 PolarHBondContact O-N 2.95Å; M474-T476 PolarHBondContact O-N 3.05Å
475	C	28.9	Very low	30.3	Very low	128 Å²	128	136.2 Å²	136.2	87%	0.865	80%	0.795	S	S	*	*			trans	-75.5	89.8	178.9	-71	0	0	0	0	111.1	K473	K473-C475 PolarHBondContact O-N 3.31Å
476	T	33.6	Very low	30.6	Very low	128 Å²	128	134.9 Å²	134.9	79%	0.785	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-60.9	129.3	170.9	-39.7	0	0	0	0	110.3	M474 H478	M474-T476 PolarHBondContact O-N 3.05Å; T476-H478 PolarHBondContact O-N 2.9Å
477	P	31.3	Very low	30.8	Very low	107 Å²	107	136.9 Å²	136.9	70%	0.695	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-68.1	131.6	175.8	27.3	-33.5	0	0	0	110.8	M479	P477-M479 PolarHBondContact O-N 2.88Å
478	H	27.8	Very low	31	Very low	151 Å²	151	140.2 Å²	140.2	70%	0.699	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-64.9	128.9	174.9	-158.3	-101.3	0	0	0	109.9	T476 D480	T476-H478 PolarHBondContact O-N 2.9Å; H478-D480 IonicContact CE1-OD1 2.71Å; H478-D480 PolarHBondContact CE1-OD1 2.81Å; H478-D480 IonicContact CE1-OD2 3.07Å; H478-D480 PolarHBondContact CE1-OD2 3Å; H478-D480 VanDerWaalsContact ND1-CG 3.35Å; H478-D480 IonicContact ND1-OD1 2.76Å; H478-D480 IonicContact ND1-OD2 3.58Å; H478-D480 PolarHBondContact ND1-OD2 2.86Å
479	M	34.3	Very low	31.3	Very low	165 Å²	165	143.6 Å²	143.6	81%	0.813	81%	0.805	S	S	*	*			trans	-124.8	97.1	171.1	-83.2	-73.7	163.7	0	0	107.9	P477 N481	P477-M479 PolarHBondContact O-N 2.88Å; M479-N481 PolarHBondContact O-N 2.9Å
480	D	30.5	Very low	31.4	Very low	134 Å²	134	147.9 Å²	147.9	72%	0.717	82%	0.818	S	S	*	*			trans	-59.7	117.8	177.4	-70.8	-92.3	0	0	0	110.9	H478	H478-D480 IonicContact CE1-OD1 2.71Å; H478-D480 PolarHBondContact CE1-OD1 2.81Å; H478-D480 IonicContact CE1-OD2 3.07Å; H478-D480 PolarHBondContact CE1-OD2 3Å; H478-D480 VanDerWaalsContact ND1-CG 3.35Å; H478-D480 IonicContact ND1-OD1 2.76Å; H478-D480 IonicContact ND1-OD2 3.58Å; H478-D480 PolarHBondContact ND1-OD2 2.86Å
481	N	30.8	Very low	31.8	Very low	155 Å²	155	149.4 Å²	149.4	83%	0.829	82%	0.816	S	S	*	*			trans	-129.5	70.1	-175.8	-141.6	-7.4	0	0	0	109.8	M479 G483	M479-N481 PolarHBondContact O-N 2.9Å; N481-G483 PolarHBondContact O-N 3.11Å; N481-G483 VanDerWaalsContact O-N 3.17Å
482	S	36.3	Very low	31.9	Very low	118 Å²	118	149.8 Å²	149.8	83%	0.825	82%	0.818	S	S	*	*			trans	-67	107.8	174.8	56.2	0	0	0	0	110
483	G	28.2	Very low	32	Very low	81 Å²	81	146.6 Å²	146.6	84%	0.835	81%	0.813	S	S	*	*			trans	-66.7	143.1	-171.1	0	0	0	0	0	114.8	N481	N481-G483 PolarHBondContact O-N 3.11Å; N481-G483 VanDerWaalsContact O-N 3.17Å
484	G	32.1	Very low	32	Very low	80 Å²	80	144.7 Å²	144.7	83%	0.825	81%	0.81	S	S	*	*			trans	-137.5	97.8	169.9	0	0	0	0	0	110.3
485	T	29.9	Very low	32.2	Very low	138 Å²	138	142.7 Å²	142.7	85%	0.847	81%	0.807	S	S	*	*			trans	-78.8	133.7	179.7	49.5	0	0	0	0	112
486	M	35.3	Very low	32.3	Very low	171 Å²	171	144.4 Å²	144.4	84%	0.842	81%	0.808	S	S	*	*			trans	-163.1	131.5	135.4	-108	-170.6	-71.3	0	0	113.9
487	E	35.9	Very low	32.1	Very low	180 Å²	180	144.1 Å²	144.1	84%	0.841	81%	0.806	S	S	*	*			trans	52.9	128.3	148.5	-52.1	-159.1	143.4	0	0	123.5
488	K	31.4	Very low	32.1	Very low	198 Å²	198	143 Å²	143	86%	0.861	81%	0.806	S	S	*	*			trans	-71.5	141.6	168	-67.4	174.1	172.1	178.4	0	112.3
489	K	36.7	Very low	32.4	Very low	202 Å²	202	143.2 Å²	143.2	88%	0.878	81%	0.811	S	S	*	*			trans	-138.2	137.8	138.3	-72.6	-168.3	177.5	174	0	110.5
490	N	30.6	Very low	32.2	Very low	161 Å²	161	143.1 Å²	143.1	86%	0.861	81%	0.806	S	S	*	*			trans	-71.3	131.4	171.5	-76.8	4.1	0	0	0	110.1
491	I	37.2	Very low	32.2	Very low	164 Å²	164	144.5 Å²	144.5	84%	0.841	81%	0.808	S	S	*	*			trans	-139.7	150	146	-60	-173.9	0	0	0	106.9
492	D	31.3	Very low	32.1	Very low	151 Å²	151	143.7 Å²	143.7	81%	0.807	80%	0.799	S	S	*	*			trans	-70.5	153	-161.8	-56.2	-86.2	0	0	0	117.5
493	S	30.1	Very low	32	Very low	107 Å²	107	146.2 Å²	146.2	75%	0.748	80%	0.795	S	S	*	*			trans	4.7	153	141.1	-155.5	0	0	0	0	121.1
494	I	30.9	Very low	32	Very low	152 Å²	152	147.4 Å²	147.4	78%	0.779	79%	0.791	S	S	*	*			trans	79.9	78.9	169.9	-41.9	172.1	0	0	0	115.8
495	V	33.4	Very low	31.9	Very low	125 Å²	125	154.7 Å²	154.7	76%	0.758	79%	0.794	S	S	*	*			trans	-144.6	108.6	146	-176.1	0	0	0	0	110.1	T497	V495-T497 PolarHBondContact O-N 2.81Å; V495-T497 PolarHBondContact O-OG1 2.89Å
496	D	30.1	Very low	31.9	Very low	165 Å²	165	157.4 Å²	157.4	88%	0.882	79%	0.793	S	S	*	*			trans	-66.1	101.8	167.8	-86.2	-58.5	0	0	0	110.5	A498	D496-A498 PolarHBondContact O-N 2.9Å
497	T	30	Very low	31.6	Very low	122 Å²	122	156.7 Å²	156.7	75%	0.748	79%	0.792	S	S	*	*			trans	-90.3	82.3	-176.6	-55.5	0	0	0	0	110.2	V495 L499	V495-T497 PolarHBondContact O-N 2.81Å; V495-T497 PolarHBondContact O-OG1 2.89Å; T497-L499 PolarHBondContact O-N 3.29Å
498	A	31.7	Very low	31.2	Very low	83 Å²	83	159.1 Å²	159.1	69%	0.686	79%	0.793	S	S	*	*			trans	-55.8	120.9	177.4	0	0	0	0	0	111.7	D496 K500	D496-A498 PolarHBondContact O-N 2.9Å; A498-K500 VanDerWaalsContact C-N 3.33Å; A498-K500 PolarHBondContact O-N 3.42Å
499	L	33	Very low	30.9	Very low	155 Å²	155	154.4 Å²	154.4	81%	0.812	79%	0.785	S	S	*	*			trans	-70.2	83.8	-178.1	-106.4	164.5	0	0	0	111.4	T497 H501	T497-L499 PolarHBondContact O-N 3.29Å; L499-H501 PolarHBondContact O-N 3.02Å
500	K	29.8	Very low	30.5	Very low	163 Å²	163	149.9 Å²	149.9	71%	0.709	78%	0.779	S	S	*	*			trans	-63.8	87.3	178.1	-81.2	-177.6	161.2	-163.3	0	112.5	A498 H502	A498-K500 VanDerWaalsContact C-N 3.33Å; A498-K500 PolarHBondContact O-N 3.42Å; K500-H502 PolarHBondContact O-N 3.11Å
501	H	32.2	Very low	30.4	Very low	164 Å²	164	147.9 Å²	147.9	76%	0.759	77%	0.772	S	S	*	*			trans	-72.6	64.4	164.3	-84.5	-92.6	0	0	0	111.8	L499 K503	L499-H501 PolarHBondContact O-N 3.02Å; H501-K503 PolarHBondContact O-N 3.09Å
502	H	28.7	Very low	29.9	Very low	137 Å²	137	150.2 Å²	150.2	63%	0.634	77%	0.772	S	S	*	*			trans	-68.9	80	167.4	-79.2	-64.9	0	0	0	110.5	K500	K500-H502 PolarHBondContact O-N 3.11Å
503	K	33.5	Very low	29.8	Very low	171 Å²	171	147.6 Å²	147.6	74%	0.743	76%	0.758	S	S	*	*			trans	-118.3	65.7	160	-80.4	-170.6	175.1	178.9	0	109.9	H501 W505	H501-K503 PolarHBondContact O-N 3.09Å; K503-W505 PolarHBondContact O-N 2.84Å
504	S	29.3	Very low	29.8	Very low	106 Å²	106	147.4 Å²	147.4	74%	0.741	75%	0.754	S	S	*	*			trans	-59.6	97.7	167.6	-53.5	0	0	0	0	109.4	K506	S504-K506 PolarHBondContact O-N 3.36Å
505	W	30	Very low	29.8	Very low	234 Å²	234	147.6 Å²	147.6	89%	0.886	75%	0.752	S	S	*	*			trans	-70.3	86.3	172.7	-81.2	11.1	0	0	0	109.2	K503 I507	K503-W505 PolarHBondContact O-N 2.84Å; W505-I507 VanDerWaalsContact C-N 3.33Å; W505-I507 PolarHBondContact O-N 3.21Å
506	K	29.8	Very low	29.6	Very low	194 Å²	194	146.3 Å²	146.3	84%	0.843	75%	0.748	S	S	*	*			trans	-67.4	94	174.1	-162	172.5	-168.2	175.3	0	107.9	S504 R508	S504-K506 PolarHBondContact O-N 3.36Å; K506-R508 PolarHBondContact O-N 3.16Å
507	I	28	Very low	29.8	Very low	157 Å²	157	145.9 Å²	145.9	81%	0.805	75%	0.745	S	S	*	*			trans	-55.1	106.2	175.1	-60.9	176.7	0	0	0	107	W505 S509	W505-I507 VanDerWaalsContact C-N 3.33Å; W505-I507 PolarHBondContact O-N 3.21Å; I507-S509 VanDerWaalsContact C-N 3.31Å; I507-S509 PolarHBondContact O-N 3.34Å
508	R	26.7	Very low	29.7	Very low	230 Å²	230	149.5 Å²	149.5	87%	0.868	75%	0.753	S	S	*	*			trans	-73.7	94.8	168.7	-75.8	-170.6	175.9	-154.7	0.3	106.4	K506 S510	K506-R508 PolarHBondContact O-N 3.16Å; R508-S510 PolarHBondContact O-N 2.98Å
509	S	26.4	Very low	29.7	Very low	99 Å²	99	153.5 Å²	153.5	69%	0.692	76%	0.758	S	S	*	*			trans	-61.2	89	161.3	-177.2	0	0	0	0	108	I507 V511	I507-S509 VanDerWaalsContact C-N 3.31Å; I507-S509 PolarHBondContact O-N 3.34Å; S509-V511 PolarHBondContact O-N 2.88Å
510	S	28.8	Very low	29.6	Very low	107 Å²	107	151.2 Å²	151.2	75%	0.748	75%	0.752	S	S	*	*			trans	-76.5	79.2	168.7	54.4	0	0	0	0	107.4	R508 Y512	R508-S510 PolarHBondContact O-N 2.98Å; S510-Y512 PolarHBondContact O-N 2.93Å
511	V	28.4	Very low	29.5	Very low	119 Å²	119	152.5 Å²	152.5	72%	0.721	76%	0.763	S	S	*	*			trans	-56.1	103.4	170	178.8	0	0	0	0	107.4	S509 N513	S509-V511 PolarHBondContact O-N 2.88Å; V511-N513 VanDerWaalsContact C-N 3.26Å; V511-N513 PolarHBondContact O-N 3.49Å
512	Y	25.8	Very low	29.6	Very low	213 Å²	213	151.8 Å²	151.8	84%	0.835	77%	0.765	S	S	*	*			trans	-77.6	82.7	178.8	-166.9	-89.3	0	0	0	107.8	S510 P514	S510-Y512 PolarHBondContact O-N 2.93Å; Y512-P514 WeakPolarHBondContact O-CD 3.35Å
513	N	30.3	Very low	29.8	Very low	96 Å²	96	153.7 Å²	153.7	51%	0.513	77%	0.771	S	S	.	*			trans	-62	113.2	-176.9	177.3	12.2	0	0	0	110.7	V511 H515	V511-N513 VanDerWaalsContact C-N 3.26Å; V511-N513 PolarHBondContact O-N 3.49Å; N513-H515 VanDerWaalsContact C-N 3.29Å; N513-H515 PolarHBondContact O-N 3.42Å; N513-H515 PolarHBondContact OD1-N 3Å
514	P	29.3	Very low	29.9	Very low	103 Å²	103	151.7 Å²	151.7	67%	0.669	78%	0.776	S	S	*	*			trans	-87.8	6.5	-179.6	35.1	-29	0	0	0	113	Y512	Y512-P514 WeakPolarHBondContact O-CD 3.35Å
515	H	30.7	Very low	30.1	Very low	157 Å²	157	152.7 Å²	152.7	73%	0.727	77%	0.771	S	S	*	*			trans	-124.4	73.7	-176.1	-69.3	-74.3	0	0	0	112.7	N513	N513-H515 VanDerWaalsContact C-N 3.29Å; N513-H515 PolarHBondContact O-N 3.42Å; N513-H515 PolarHBondContact OD1-N 3Å
516	S	29.9	Very low	30	Very low	98 Å²	98	150.7 Å²	150.7	69%	0.685	77%	0.765	S	S	*	*			trans	-166.1	67.1	161.5	-80.9	0	0	0	0	113.5
517	L	32.8	Very low	30.1	Very low	156 Å²	156	146.9 Å²	146.9	82%	0.817	76%	0.76	S	S	*	*			trans	-169.2	83.2	136.7	-130.7	73.9	0	0	0	112.7	Q519	L517-Q519 PolarHBondContact O-N 3.47Å
518	E	28.6	Very low	30	Very low	197 Å²	197	144.1 Å²	144.1	92%	0.921	75%	0.754	S	S	*	*			trans	-77.3	101.5	154.5	-70.8	-171.8	129.9	0	0	108.6
519	Q	32.7	Very low	30.3	Very low	167 Å²	167	140.8 Å²	140.8	78%	0.78	75%	0.752	S	S	*	*			trans	-139.9	142.7	160.3	-75.6	-156.3	-7	0	0	111.5	L517	L517-Q519 PolarHBondContact O-N 3.47Å
520	P	30.3	Very low	30.4	Very low	108 Å²	108	141 Å²	141	70%	0.701	75%	0.753	S	S	*	*			trans	-82	153.8	-163.4	32.1	-37	0	0	0	114	N522	P520-N522 PolarHBondContact O-N 3.3Å
521	M	28.5	Very low	30.6	Very low	190 Å²	190	143 Å²	143	94%	0.936	76%	0.755	S	S	*	*			trans	-59.6	117	166.1	-74.7	-170.1	175.7	0	0	111
522	N	34.3	Very low	30.8	Very low	148 Å²	148	145.2 Å²	145.2	79%	0.791	76%	0.755	S	S	*	*			trans	-122.2	119.4	164.1	-102.4	-38.8	0	0	0	110.1	P520	P520-N522 PolarHBondContact O-N 3.3Å
523	K	32.6	Very low	31.2	Very low	177 Å²	177	141.6 Å²	141.6	77%	0.77	75%	0.75	S	S	*	*			trans	-80.7	133.1	177.6	-64.9	174.8	179.8	173.7	0	110.3
524	P	35.1	Very low	31.4	Very low	129 Å²	129	143 Å²	143	84%	0.838	76%	0.757	S	S	*	*			trans	-67.3	141.8	147.6	-4.4	21.8	0	0	0	108.5
525	I	32.8	Very low	31.5	Very low	127 Å²	127	144.9 Å²	144.9	65%	0.651	76%	0.762	S	S	*	*			trans	-134	131.7	-174.3	-118.7	174.4	0	0	0	109.4
526	Y	28.2	Very low	31.8	Very low	193 Å²	193	145.3 Å²	145.3	76%	0.757	77%	0.768	S	S	*	*			trans	70.3	165	165.4	-81.4	-110.9	0	0	0	115.9
527	P	32.9	Very low	31.9	Very low	113 Å²	113	148 Å²	148	73%	0.734	77%	0.772	S	S	*	*			cis	-116.8	154.4	14.8	40.5	-28.9	0	0	0	117.5
528	C	24.9	Very low	32.1	Very low	100 Å²	100	145.9 Å²	145.9	68%	0.676	77%	0.767	S	S	*	*			trans	-72.6	140.9	162.4	-51.9	0	0	0	0	110.6
529	I	34.1	Very low	32.4	Very low	160 Å²	160	140.8 Å²	140.8	82%	0.821	75%	0.749	S	S	*	*			trans	-116.6	98.1	160.3	-60.5	-179.2	0	0	0	108.1
530	S	27.2	Very low	32.6	Very low	102 Å²	102	139.7 Å²	139.7	71%	0.713	75%	0.749	S	S	*	*			trans	-79.6	121.2	162.7	144.5	0	0	0	0	107.9
531	N	33.9	Very low	32.8	Very low	149 Å²	149	139.3 Å²	139.3	80%	0.797	75%	0.749	S	S	*	*			trans	-127.4	114	159.4	-155.8	11.5	0	0	0	110.5
532	K	31.4	Very low	33.2	Very low	167 Å²	167	138.1 Å²	138.1	73%	0.726	74%	0.739	S	S	*	*			trans	-76.6	146.3	168.5	-59.5	171	-178.7	175.3	0	107.5
533	N	34.9	Very low	33.2	Very low	136 Å²	136	140.1 Å²	140.1	73%	0.727	74%	0.736	S	S	*	*				177.3	136.7	124.4	-90.3	-17.5	0	0	0	114
534	N	35.1	Very low	33.3	Very low	125 Å²	125	135.2 Å²	135.2	67%	0.668	72%	0.724	S	S	*	*			trans	65.4	100.3	141.1	-55.4	-12.6	0	0	0	120.6
535	N	31.5	Very low	33.3	Very low	143 Å²	143	135.4 Å²	135.4	77%	0.765	72%	0.718	S	S	*	*				46.6	119.2	115.7	-49.6	-12.4	0	0	0	119.4
536	I	35.7	Very low	33.3	Very low	166 Å²	166	136.2 Å²	136.2	85%	0.851	72%	0.723	S	S	*	*				-174.7	145.8	102.6	-92.1	154.3	0	0	0	109.5
537	M	32.1	Very low	33.6	Very low	156 Å²	156	134.5 Å²	134.5	77%	0.768	73%	0.725	S	S	*	*			trans	-120	145.9	175.2	-164.3	-165.1	-167.6	0	0	109.8	T539	M537-T539 HydrophobicContact SD-CG2 4.35Å
538	P	37.4	Very low	33.5	Very low	111 Å²	111	135.8 Å²	135.8	72%	0.721	73%	0.726	S	S	*	*				-133.1	114.4	129.9	11.6	10	0	0	0	110.9
539	T	35.1	Very low	34	Very low	89 Å²	89	136.2 Å²	136.2	55%	0.546	73%	0.728	S	S	.	*				73	129.6	78.3	60.9	0	0	0	0	116	M537	M537-T539 HydrophobicContact SD-CG2 4.35Å
540	N	37.1	Very low	33.7	Very low	145 Å²	145	133.7 Å²	133.7	78%	0.775	72%	0.724	S	S	*	*			trans	103.9	97.3	164.6	-55.7	-21	0	0	0	114.9
541	S	34.6	Very low	33.8	Very low	100 Å²	100	133.9 Å²	133.9	70%	0.699	73%	0.725	S	S	*	*				77	128.1	73.4	79.4	0	0	0	0	112.6
542	K	37	Very low	33.9	Very low	165 Å²	165	132.1 Å²	132.1	72%	0.717	73%	0.725	S	S	*	*			cis	-145.2	-174	15.9	-50.4	175.9	175.8	-175.9	0	109.9
543	Y	34.1	Very low	33.8	Very low	190 Å²	190	132 Å²	132	75%	0.745	73%	0.731	S	S	*	*			cis	-158.5	171.8	0.2	-133.2	169.5	0	0	0	111.9
544	S	34.3	Very low	33.5	Very low	74 Å²	74	129.9 Å²	129.9	52%	0.517	73%	0.727	S	S	.	*			trans	6.9	145.5	133.9	-74.2	0	0	0	0	122.1
545	D	35.4	Very low	33.4	Very low	133 Å²	133	130 Å²	130	71%	0.711	73%	0.733	S	S	*	*			cis	-147.5	143.3	-2.4	-79.5	-37.2	0	0	0	108.2
546	L	31.7	Very low	33.3	Very low	144 Å²	144	128.1 Å²	128.1	75%	0.754	74%	0.737	S	S	*	*				75	134.5	64.7	-102.1	170.1	0	0	0	115.3
547	I	35.1	Very low	33.1	Very low	156 Å²	156	125.4 Å²	125.4	80%	0.8	73%	0.733	S	S	*	*			trans	74.5	144.7	164.9	-59	158.6	0	0	0	115.9
548	D	30.2	Very low	33.1	Very low	141 Å²	141	123.2 Å²	123.2	75%	0.754	73%	0.733	S	S	*	*			cis	-170.7	152.3	-30.2	-167	49.3	0	0	0	107.1
549	P	35.1	Very low	32.9	Very low	108 Å²	108	126.1 Å²	126.1	70%	0.701	74%	0.736	S	S	*	*			trans	-104.9	118	-170.6	35.1	-27	0	0	0	114.9
550	S	29.5	Very low	32.6	Very low	108 Å²	108	126.9 Å²	126.9	76%	0.755	75%	0.745	S	S	*	*			trans	178.2	156.5	144.6	47.9	0	0	0	0	116.4
551	S	29.3	Very low	32.5	Very low	105 Å²	105	129.4 Å²	129.4	73%	0.734	75%	0.75	S	S	*	*			trans	80.7	163.8	149.8	84.2	0	0	0	0	120.9
552	S	34.3	Very low	32.3	Very low	113 Å²	113	133 Å²	133	79%	0.79	76%	0.755	S	S	*	*			trans	62.7	115.6	-170.7	67.1	0	0	0	0	115.3
553	L	30	Very low	32.1	Very low	164 Å²	164	131.8 Å²	131.8	86%	0.859	76%	0.756	S	S	*	*			cis	84.9	118.9	27.1	-162.7	86.3	0	0	0	114.7
554	S	29.4	Very low	32.1	Very low	91 Å²	91	129.6 Å²	129.6	64%	0.636	76%	0.757	S	S	*	*			trans	132.3	138.8	141.2	-57	0	0	0	0	115.9
555	T	32.2	Very low	31.9	Very low	129 Å²	129	133.3 Å²	133.3	79%	0.791	77%	0.766	S	S	*	*			trans	41	111.7	148.1	53.9	0	0	0	0	119.5
556	A	29.1	Very low	31.9	Very low	102 Å²	102	134.8 Å²	134.8	84%	0.843	77%	0.774	S	S	*	*				71.6	118.4	58.1	0	0	0	0	0	115.9
557	S	32.9	Very low	31.8	Very low	110 Å²	110	133.9 Å²	133.9	77%	0.769	77%	0.77	S	S	*	*			trans	-161	154	143.3	-168.8	0	0	0	0	110.3
558	S	30.6	Very low	31.7	Very low	109 Å²	109	138 Å²	138	76%	0.762	78%	0.777	S	S	*	*			trans	-111.6	135.7	177.8	-50.7	0	0	0	0	110.2
559	H	34.8	Very low	31.6	Very low	172 Å²	172	136.5 Å²	136.5	80%	0.796	78%	0.778	S	S	*	*			trans	-143	131.6	159.2	-86.8	-67.1	0	0	0	112
560	S	28.6	Very low	31.5	Very low	105 Å²	105	141.6 Å²	141.6	73%	0.734	79%	0.789	S	S	*	*			trans	-108.8	139	177	54.3	0	0	0	0	110.3
561	F	34.1	Very low	31.6	Very low	199 Å²	199	139.6 Å²	139.6	87%	0.873	79%	0.786	S	S	*	*			trans	-127.7	154.4	163.2	-81.1	-81.2	0	0	0	110.8
562	H	29.7	Very low	31.8	Very low	175 Å²	175	138 Å²	138	81%	0.81	79%	0.785	S	S	*	*			trans	-133	-169.8	-168.8	-154.5	-86.4	0	0	0	108.5
563	L	33.8	Very low	31.5	Very low	140 Å²	140	138.6 Å²	138.6	73%	0.733	79%	0.785	S	S	*	*			trans	78.6	147.3	-179.9	-56.4	103.3	0	0	0	113.9
564	N	33.8	Very low	31.7	Very low	143 Å²	143	138.6 Å²	138.6	77%	0.765	78%	0.78	S	S	*	*			cis	-140.3	167.4	1.6	-140.9	0.3	0	0	0	113.9
565	Q	29.7	Very low	31.7	Very low	152 Å²	152	140.8 Å²	140.8	71%	0.71	78%	0.784	S	S	*	*			trans	-83	161.7	170.5	-62.1	175	-11.9	0	0	111.3
566	D	35.8	Very low	31.7	Very low	165 Å²	165	141.8 Å²	141.8	88%	0.882	78%	0.779	S	S	*	*			trans	-155.5	154.6	133.9	-111.8	-36.5	0	0	0	111.8
567	N	30	Very low	31.8	Very low	124 Å²	124	143 Å²	143	66%	0.663	77%	0.771	S	S	*	*			trans	-117.3	150.3	-174	-64.2	-91.9	0	0	0	111.5
568	Y	32.2	Very low	31.5	Very low	243 Å²	243	145.4 Å²	145.4	95%	0.953	78%	0.775	S	S	*	*			trans	-148.1	148.8	145.9	-97.8	-71.7	0	0	0	111.8
569	S	28.6	Very low	31.7	Very low	110 Å²	110	145.1 Å²	145.1	77%	0.769	77%	0.771	S	S	*	*			trans	-153.7	139.9	-171.5	174.4	0	0	0	0	111
570	F	33	Very low	31.4	Very low	214 Å²	214	143 Å²	143	94%	0.939	77%	0.765	S	S	*	*			trans	-177.6	148.2	164.6	-113.4	-83.3	0	0	0	107.9
571	G	32.3	Very low	31.4	Very low	67 Å²	67	145.3 Å²	145.3	69%	0.691	76%	0.764	S	S	*	*			cis	165.3	159.2	-10.2	0	0	0	0	0	112
572	G	32	Very low	31.3	Very low	70 Å²	70	143.9 Å²	143.9	72%	0.722	76%	0.759	S	S	*	*			trans	87.5	122.3	176.2	0	0	0	0	0	114.7
573	T	29.3	Very low	31.5	Very low	127 Å²	127	139.1 Å²	139.1	78%	0.779	75%	0.75	S	S	*	*			cis	82.4	105.4	20.1	81.6	0	0	0	0	117.9
574	H	33.6	Very low	31.3	Very low	164 Å²	164	141 Å²	141	76%	0.759	76%	0.755	S	S	*	*			trans	-178.2	117.3	138.2	-93	-70.9	0	0	0	106.7
575	L	28.7	Very low	31.1	Very low	136 Å²	136	138.6 Å²	138.6	71%	0.712	75%	0.75	S	S	*	*				61.3	106.6	72.6	-69.7	170.9	0	0	0	114.4
576	H	32.6	Very low	31.3	Very low	150 Å²	150	139.7 Å²	139.7	69%	0.694	75%	0.754	S	S	*	*				173.3	141.7	108.8	-92.9	-66.6	0	0	0	114.7
577	N	31.5	Very low	30.9	Very low	128 Å²	128	144.2 Å²	144.2	68%	0.684	76%	0.759	S	S	*	*			trans	45.1	121.7	146.6	-44.2	-10.6	0	0	0	119.9
578	L	27.7	Very low	30.9	Very low	160 Å²	160	141.8 Å²	141.8	84%	0.838	76%	0.763	S	S	*	*				56.6	141.9	62.7	-69.8	167.1	0	0	0	115
579	P	34.3	Very low	30.8	Very low	104 Å²	104	137 Å²	137	68%	0.675	75%	0.754	S	S	*	*			cis	-139.9	-144.8	-34.3	30.8	-5.9	0	0	0	112.2
580	L	28.4	Very low	30.9	Very low	128 Å²	128	138.6 Å²	138.6	67%	0.67	75%	0.753	S	S	*	*			trans	93.1	111.7	159.7	-94.3	67.6	0	0	0	122.5
581	Q	28.1	Very low	30.8	Very low	153 Å²	153	134.8 Å²	134.8	72%	0.715	75%	0.747	S	S	*	*				77.1	153.5	124.2	-74.6	170.4	-7.4	0	0	124.3
582	H	31.5	Very low	30.7	Very low	168 Å²	168	137.1 Å²	137.1	78%	0.778	74%	0.744	S	S	*	*			trans	64.5	136.2	175.4	-63.3	-71.8	0	0	0	117.2
583	A	34	Very low	30.5	Very low	76 Å²	76	142.2 Å²	142.2	63%	0.628	75%	0.751	S	S	*	*			cis	-147.8	144.9	-7.1	0	0	0	0	0	107.7
584	E	30.8	Very low	30.5	Very low	179 Å²	179	144.8 Å²	144.8	84%	0.836	76%	0.759	S	S	*	*				40.1	129.1	87.2	-52.3	173.1	115.5	0	0	113.4
585	S	29.2	Very low	30.4	Very low	92 Å²	92	143.5 Å²	143.5	64%	0.643	76%	0.758	S	S	*	*			cis	-154	149	0.4	-172.7	0	0	0	0	105.6
586	H	33.6	Very low	30.4	Very low	175 Å²	175	141.2 Å²	141.2	81%	0.81	76%	0.758	S	S	*	*				-161.7	129.3	62	-78.2	-94.8	0	0	0	111.3
587	R	26.8	Very low	30.2	Very low	261 Å²	261	140.3 Å²	140.3	99%	0.985	77%	0.769	S	S	*	*			trans	-98.1	119.2	149.5	-93.5	-173.6	166.6	-157.2	-2.7	107.7
588	G	31.3	Very low	30.1	Very low	72 Å²	72	137 Å²	137	74%	0.742	76%	0.764	S	S	*	*			trans	-125.8	141.8	176.3	0	0	0	0	0	111
589	N	29.7	Very low	30.3	Very low	144 Å²	144	132.6 Å²	132.6	77%	0.77	76%	0.758	S	S	*	*			trans	-53.6	150.1	174.7	-62	-45.1	0	0	0	110.7
590	L	30.4	Very low	30	Very low	143 Å²	143	134 Å²	134	75%	0.749	76%	0.764	S	S	*	*				-141.8	94.8	61.4	-77.6	160.5	0	0	0	114.4
591	V	30.6	Very low	30.1	Very low	133 Å²	133	132.1 Å²	132.1	81%	0.806	77%	0.768	S	S	*	*	S	Bend	trans	-109.3	82.3	144.7	178.4	0	0	0	0	106.8
592	N	30.3	Very low	30.2	Very low	117 Å²	117	135.6 Å²	135.6	63%	0.626	77%	0.774	S	S	*	*			trans	177.9	85.5	163.2	-96.5	-28	0	0	0	111.4
593	M	28.9	Very low	30.2	Very low	176 Å²	176	133.8 Å²	133.8	87%	0.867	78%	0.781	S	S	*	*	S	Bend	trans	-140.6	37.5	155.1	-78.2	-142.6	-55.8	0	0	112.1
594	L	28.2	Very low	30.1	Very low	182 Å²	182	133.1 Å²	133.1	95%	0.953	78%	0.781	S	S	*	*			trans	-124.3	57.8	152.9	-83	176.3	0	0	0	108.4
595	N	30.9	Very low	30.1	Very low	137 Å²	137	130.4 Å²	130.4	73%	0.733	78%	0.777	S	S	*	*	S	Bend	trans	-126.7	132.4	167.4	-154.4	9.8	0	0	0	108.6
596	A	28.9	Very low	30.1	Very low	87 Å²	87	132.5 Å²	132.5	72%	0.719	79%	0.786	S	S	*	*			trans	-59.1	136.5	-154.7	0	0	0	0	0	114.7	G598	A596-G598 PolarHBondContact O-N 3.23Å
597	S	29.1	Very low	30.1	Very low	132 Å²	132	129.4 Å²	129.4	92%	0.923	78%	0.784	S	S	*	*			trans	-70.4	45.5	149.3	48.3	0	0	0	0	111.1	G599	S597-G599 PolarHBondContact O-N 3.04Å
598	G	30.2	Very low	30.4	Very low	57 Å²	57	122.3 Å²	122.3	59%	0.588	78%	0.775	S	S	*	*			trans	-73.5	67.2	173.7	0	0	0	0	0	110.3	A596 V600	A596-G598 PolarHBondContact O-N 3.23Å; G598-V600 PolarHBondContact O-N 3.09Å
599	G	30.2	Very low	30.6	Very low	69 Å²	69	125 Å²	125	71%	0.711	78%	0.782	S	S	*	*			trans	-55.9	122.7	178.9	0	0	0	0	0	110.7	S597 A601	S597-G599 PolarHBondContact O-N 3.04Å; G599-A601 PolarHBondContact O-N 3.15Å
600	V	28.9	Very low	30.9	Very low	132 Å²	132	120.8 Å²	120.8	80%	0.8	77%	0.773	S	S	*	*			trans	-76.4	93.3	-168.2	179.8	0	0	0	0	111.9	G598 R602	G598-V600 PolarHBondContact O-N 3.09Å; V600-R602 HydrophobicContact CG1-CG 4.18Å
601	A	31.1	Very low	30.9	Very low	90 Å²	90	121.5 Å²	121.5	74%	0.744	78%	0.783	S	S	*	*			trans	-126.9	93.3	155.6	0	0	0	0	0	107.1	G599	G599-A601 PolarHBondContact O-N 3.15Å
602	R	29	Very low	31	Very low	225 Å²	225	118.4 Å²	118.4	85%	0.849	78%	0.778	S	S	*	*				48.3	112.8	80.8	-65.3	-170.9	81.9	179.2	4.7	114.1	V600	V600-R602 HydrophobicContact CG1-CG 4.18Å
603	S	31.7	Very low	31.1	Very low	131 Å²	131	119.2 Å²	119.2	92%	0.916	79%	0.786	S	S	*	*			trans	87.3	142.2	157.4	-148	0	0	0	0	118.5
604	G	33.2	Very low	31.1	Very low	62 Å²	62	117 Å²	117	64%	0.639	79%	0.787	S	S	*	*			trans	89.6	88	177	0	0	0	0	0	113.8
605	T	30.8	Very low	31.2	Very low	122 Å²	122	112 Å²	112	75%	0.748	78%	0.78	S	S	*	*				59.6	83.5	53.3	76.1	0	0	0	0	116
606	T	29.3	Very low	31.3	Very low	136 Å²	136	109.7 Å²	109.7	83%	0.834	79%	0.788	S	S	*	*				42	106.7	123.4	57.8	0	0	0	0	120.3
607	S	33.1	Very low	31.3	Very low	109 Å²	109	109.8 Å²	109.8	76%	0.762	80%	0.797	S	S	*	*			trans	-168.1	131.8	139.6	50.1	0	0	0	0	109.3
608	S	33	Very low	31.4	Very low	113 Å²	113	106.8 Å²	106.8	79%	0.79	79%	0.787	S	S	*	*			cis	98.2	143.4	22.2	77.9	0	0	0	0	115.1
609	S	35.3	Very low	31.5	Very low	129 Å²	129	110.4 Å²	110.4	90%	0.902	80%	0.803	S	S	*	*			trans	76.9	144.6	-179.2	-156.6	0	0	0	0	114.9
610	G	35.5	Very low	31.6	Very low	55 Å²	55	110.8 Å²	110.8	57%	0.567	81%	0.807	S	S	*	*			cis	-168.4	139.5	-5.6	0	0	0	0	0	109
611	V	30.8	Very low	31.7	Very low	158 Å²	158	109.7 Å²	109.7	96%	0.958	81%	0.805	S	S	*	*				57.8	111.9	86.2	-175.6	0	0	0	0	114.2
612	G	31.8	Very low	31.6	Very low	68 Å²	68	110 Å²	110	70%	0.701	80%	0.802	S	S	*	*			trans	137.6	106.6	179.5	0	0	0	0	0	109.8
613	V	32.9	Very low	31.8	Very low	133 Å²	133	106.5 Å²	106.5	81%	0.806	80%	0.799	S	S	*	*			cis	80	135.2	37.9	-168.6	0	0	0	0	112.8
614	C	29.6	Very low	31.7	Very low	131 Å²	131	108.6 Å²	108.6	89%	0.885	79%	0.794	S	S	*	*			trans	73	147.8	-172.6	-53.8	0	0	0	0	115.4
615	G	30.1	Very low	31.5	Very low	77 Å²	77	112.4 Å²	112.4	79%	0.794	80%	0.8	S	S	*	*			cis	156.3	125	-11.3	0	0	0	0	0	114
616	G	32	Very low	31.5	Very low	88 Å²	88	112.7 Å²	112.7	91%	0.907	80%	0.797	S	S	*	*			trans	79.2	163.2	176.8	0	0	0	0	0	115.1
617	G	29.3	Very low	31.5	Very low	88 Å²	88	112 Å²	112	91%	0.907	79%	0.792	S	S	*	*			cis	150.1	91	-6.2	0	0	0	0	0	114
618	G	31.4	Very low	31.4	Very low	69 Å²	69	112.3 Å²	112.3	71%	0.711	79%	0.79	S	S	*	*			trans	152	120.2	175.7	0	0	0	0	0	110.1
619	S	32.9	Very low	31.2	Very low	134 Å²	134	113.7 Å²	113.7	94%	0.937	79%	0.794	S	S	*	*				87.6	110.1	51.6	-68.4	0	0	0	0	113.2
620	G	32.4	Very low	31.1	Very low	77 Å²	77	113.4 Å²	113.4	79%	0.794	78%	0.782	S	S	*	*			trans	139.8	83.2	155.2	0	0	0	0	0	119.7
621	S	31.2	Very low	30.8	Very low	109 Å²	109	119 Å²	119	76%	0.762	80%	0.799	S	S	*	*			trans	60.7	124.3	138.4	-158.9	0	0	0	0	123.4
622	S	28.6	Very low	30.8	Very low	97 Å²	97	118 Å²	118	68%	0.678	79%	0.788	S	S	*	*			trans	71.8	154.9	136.4	58.2	0	0	0	0	122
623	I	31.9	Very low	30.7	Very low	151 Å²	151	125 Å²	125	77%	0.774	80%	0.799	S	S	*	*			trans	72.5	96.4	-178.5	-49.3	168.4	0	0	0	110.5
624	Q	29.6	Very low	30.6	Very low	174 Å²	174	127 Å²	127	81%	0.813	80%	0.804	S	S	*	*				62.1	143.4	67.1	-68.9	-170.2	-78.9	0	0	114.6
625	D	30.7	Very low	30.5	Very low	142 Å²	142	131.2 Å²	131.2	76%	0.759	80%	0.802	S	S	*	*			trans	66.6	137.5	-179	-62	-40.8	0	0	0	117.1
626	N	29.8	Very low	30.3	Very low	128 Å²	128	134.9 Å²	134.9	68%	0.684	80%	0.803	S	S	*	*			cis	-159.5	172.6	-26.6	-141.3	-50.4	0	0	0	110.2
627	T	29.2	Very low	30.1	Very low	121 Å²	121	137 Å²	137	74%	0.742	80%	0.798	S	S	*	*			trans	51.1	82.9	165	56.6	0	0	0	0	118.3
628	T	31	Very low	30	Very low	116 Å²	116	137.7 Å²	137.7	71%	0.712	79%	0.789	S	S	*	*			trans	-98.3	117.5	149.6	35.4	0	0	0	0	110.4	D630	T628-D630 WeakPolarHBondContact CB-OD2 3.3Å
629	T	28.3	Very low	29.9	Very low	143 Å²	143	140.8 Å²	140.8	88%	0.877	80%	0.795	S	S	*	*			trans	-97.8	69.7	167.3	50.9	0	0	0	0	109.6
630	D	33.8	Very low	29.8	Very low	122 Å²	122	137.4 Å²	137.4	65%	0.652	78%	0.781	S	S	*	*			trans	-82.3	153.6	174.6	-66.1	-51.4	0	0	0	111.4	T628 L632	T628-D630 WeakPolarHBondContact CB-OD2 3.3Å; D630-L632 PolarHBondContact O-N 2.87Å
631	D	29.6	Very low	29.7	Very low	174 Å²	174	140.3 Å²	140.3	93%	0.93	78%	0.778	S	S	*	*	S	Bend	trans	-58	103.2	-170.1	-68	-62.4	0	0	0	114.7
632	L	30.6	Very low	29.7	Very low	137 Å²	137	142.3 Å²	142.3	72%	0.717	78%	0.78	S	S	*	*			trans	-139.2	32.8	-176.4	-127.5	162.4	0	0	0	115	D630	D630-L632 PolarHBondContact O-N 2.87Å
633	F	28.6	Very low	29.7	Very low	214 Å²	214	142.2 Å²	142.2	94%	0.939	77%	0.772	S	S	*	*			trans	-114.9	32.2	176.3	-81.6	-78	0	0	0	114.9
634	L	31.1	Very low	29.8	Very low	174 Å²	174	141.1 Å²	141.1	91%	0.911	77%	0.767	S	S	*	*	S	Bend	trans	-127.6	31.7	170.8	-93.8	169.7	0	0	0	113.4
635	R	27.3	Very low	30.1	Very low	220 Å²	220	139.6 Å²	139.6	83%	0.83	77%	0.765	S	S	*	*			trans	-153	78.8	170.7	-108.2	-177.4	-174.5	179	2.8	112
636	N	27.5	Very low	30.2	Very low	155 Å²	155	139.1 Å²	139.1	83%	0.829	76%	0.758	S	S	*	*			trans	-155.4	64.7	157.4	-118.7	9.1	0	0	0	110.1
637	T	27.7	Very low	30.3	Very low	131 Å²	131	142.7 Å²	142.7	80%	0.804	76%	0.763	S	S	*	*			trans	-105	140.5	165.1	44	0	0	0	0	108.4
638	S	26.7	Very low	30.6	Very low	103 Å²	103	142.3 Å²	142.3	72%	0.72	76%	0.756	S	S	*	*	S	Bend	trans	69.3	156	-161.7	79.3	0	0	0	0	115
639	T	29.1	Very low	30.6	Very low	135 Å²	135	145.2 Å²	145.2	83%	0.828	76%	0.762	S	S	*	*	S	Bend	trans	55	69.2	-175.3	55.4	0	0	0	0	115.1
640	G	29.9	Very low	30.7	Very low	62 Å²	62	144.6 Å²	144.6	64%	0.639	75%	0.752	S	S	*	*			trans	-164.3	30.1	176	0	0	0	0	0	113.8	N642	G640-N642 PolarHBondContact O-N 3.25Å
641	N	30.6	Very low	30.6	Very low	139 Å²	139	144 Å²	144	74%	0.743	76%	0.755	S	S	*	*			trans	-70.6	113.6	173.6	-67.6	23.2	0	0	0	107.7
642	N	31.4	Very low	30.6	Very low	150 Å²	150	143.5 Å²	143.5	80%	0.802	75%	0.752	S	S	*	*			trans	-92	115.5	164.4	-69.8	-43	0	0	0	106.6	G640 L644	G640-N642 PolarHBondContact O-N 3.25Å; N642-L644 VanDerWaalsContact C-N 3.28Å; N642-L644 PolarHBondContact O-N 2.94Å
643	D	29.6	Very low	30.6	Very low	96 Å²	96	144.5 Å²	144.5	51%	0.513	76%	0.758	S	S	.	*			trans	-74.7	67.8	-162.7	-59.4	-70.4	0	0	0	114.7	D645 E646	D643-D645 VanDerWaalsContact C-N 3.26Å; D643-E646 HydrophobicContact CB-CB 3.87Å; D643-E646 PolarHBondContact O-N 3.4Å
644	L	34.1	Very low	30.9	Very low	127 Å²	127	140.2 Å²	140.2	67%	0.665	74%	0.743	S	S	*	*	H	α-helix	trans	-69.4	-25.3	165.6	-86.8	160.7	0	0	0	112.3	N642 E646 Y647 L648	N642-L644 VanDerWaalsContact C-N 3.28Å; N642-L644 PolarHBondContact O-N 2.94Å; L644-E646 VanDerWaalsContact C-N 3.28Å; L644-E646 PolarHBondContact O-N 2.87Å; L644-Y647 PolarHBondContact O-N 3.09Å; L644-L648 PolarHBondContact O-N 3.39Å
645	D	34.7	Very low	30.8	Very low	143 Å²	143	137.8 Å²	137.8	77%	0.765	74%	0.739	S	S	*	*	H	α-helix	trans	-70.4	-21.3	172.6	-65.5	-30.3	0	0	0	112.5	D643 L648	D643-D645 VanDerWaalsContact C-N 3.26Å; D645-L648 CarbonylContact O-C 3.49Å
646	E	33.5	Very low	30.8	Very low	132 Å²	132	137.4 Å²	137.4	62%	0.617	74%	0.744	S	S	*	*	H	α-helix	trans	-77.2	-28.2	174.7	-171.9	169.2	-134.3	0	0	112.1	D643 L644	D643-E646 HydrophobicContact CB-CB 3.87Å; D643-E646 PolarHBondContact O-N 3.4Å; L644-E646 VanDerWaalsContact C-N 3.28Å; L644-E646 PolarHBondContact O-N 2.87Å
647	Y	32.3	Very low	31	Very low	203 Å²	203	134.6 Å²	134.6	80%	0.796	74%	0.742	S	S	*	*	H	α-helix	trans	-83.3	-12.8	173	-79.2	-81.9	0	0	0	113.9	L644	L644-Y647 PolarHBondContact O-N 3.09Å
648	L	35.5	Very low	31.1	Very low	113 Å²	113	135.6 Å²	135.6	59%	0.592	74%	0.742	S	S	*	*	S	Bend	trans	-115.8	77.3	173	-78.3	168.5	0	0	0	110	L644 D645 L650	L644-L648 PolarHBondContact O-N 3.39Å; D645-L648 CarbonylContact O-C 3.49Å; L648-L650 PolarHBondContact O-N 3.39Å
649	Q	29.6	Very low	31.3	Very low	177 Å²	177	140.7 Å²	140.7	83%	0.827	76%	0.755	S	S	*	*			trans	-70.5	59	175.2	-64.1	-172.5	3.5	0	0	112.8
650	L	32.2	Very low	31.3	Very low	130 Å²	130	138.7 Å²	138.7	68%	0.681	75%	0.747	S	S	*	*			trans	-69.4	139.7	160.6	-64.4	173.5	0	0	0	108.4	L648 N652	L648-L650 PolarHBondContact O-N 3.39Å; L650-N652 PolarHBondContact O-N 2.81Å
651	P	30.8	Very low	31.4	Very low	108 Å²	108	141.1 Å²	141.1	70%	0.701	75%	0.749	S	S	*	*			trans	-58.5	122.1	-178.9	-27	35.5	0	0	0	112.6	L653	P651-L653 HydrophobicContact CB-CD1 4.44Å; P651-L653 PolarHBondContact O-N 3.31Å
652	N	28.9	Very low	31.2	Very low	165 Å²	165	145.8 Å²	145.8	88%	0.882	76%	0.758	S	S	*	*			trans	-70.6	69.8	176.6	-94.2	-56.5	0	0	0	111.8	L650	L650-N652 PolarHBondContact O-N 2.81Å
653	L	32.3	Very low	31.1	Very low	158 Å²	158	146.7 Å²	146.7	83%	0.827	76%	0.757	S	S	*	*			trans	-115.5	14	179.7	-104.7	151.6	0	0	0	112.5	P651	P651-L653 HydrophobicContact CB-CD1 4.44Å; P651-L653 PolarHBondContact O-N 3.31Å
654	I	34	Very low	31.1	Very low	123 Å²	123	152.5 Å²	152.5	63%	0.631	78%	0.778	S	S	*	*	S	Bend	trans	-121.7	158.5	170	-56.2	178.8	0	0	0	106.7
655	C	28.6	Very low	30.7	Very low	123 Å²	123	151.4 Å²	151.4	83%	0.831	79%	0.787	S	S	*	*	S	Bend	trans	75.3	31.8	-179.7	-57.7	0	0	0	0	117.5
656	K	28.9	Very low	30.5	Very low	212 Å²	212	148 Å²	148	92%	0.922	79%	0.786	S	S	*	*			trans	-138.8	83.5	150.5	-74	-162.8	178.5	-176.2	0	112
657	A	31.6	Very low	30.6	Very low	97 Å²	97	152.7 Å²	152.7	80%	0.802	80%	0.798	S	S	*	*			trans	-140.6	125.1	165.1	0	0	0	0	0	107.5
658	D	29.2	Very low	31.1	Very low	151 Å²	151	149.6 Å²	149.6	81%	0.807	79%	0.785	S	S	*	*			trans	-69.8	150.6	-167.8	-67.1	-68.3	0	0	0	113.8	S660	D658-S660 PolarHBondContact O-N 2.9Å
659	E	30	Very low	31.1	Very low	211 Å²	211	149.1 Å²	149.1	99%	0.986	78%	0.783	S	S	*	*	S	Bend	trans	-72.9	59.9	174.1	-66.6	-170.8	115.9	0	0	112.5
660	S	29.1	Very low	31.6	Very low	93 Å²	93	142.3 Å²	142.3	65%	0.65	76%	0.755	S	S	*	*			trans	-148.8	140.9	165.8	70.1	0	0	0	0	112.3	D658	D658-S660 PolarHBondContact O-N 2.9Å
661	T	31.8	Very low	31.8	Very low	112 Å²	112	139.6 Å²	139.6	69%	0.687	75%	0.746	S	S	*	*	S	Bend	trans	72.2	74.3	171.2	-38.2	0	0	0	0	117.1	H663	T661-H663 PolarHBondContact O-N 2.99Å
662	Y	26.6	Very low	32.5	Very low	238 Å²	238	137.9 Å²	137.9	93%	0.933	73%	0.733	S	S	*	*			trans	28.1	57.2	140.2	-78.4	-82.5	0	0	0	119.5
663	H	30.9	Very low	33.1	Very low	169 Å²	169	132.3 Å²	132.3	78%	0.782	70%	0.703	S	S	*	*			trans	-137	119.9	164.7	-85.6	-80.1	0	0	0	111.9	T661 A665	T661-H663 PolarHBondContact O-N 2.99Å; H663-A665 PolarHBondContact O-N 3.45Å
664	F	27.7	Very low	33.6	Very low	217 Å²	217	126.1 Å²	126.1	95%	0.952	67%	0.672	S	S	*	*			trans	-75.1	63.4	170.9	-89.1	-85.9	0	0	0	111.3	G666	F664-G666 PolarHBondContact O-N 3.12Å
665	A	27.3	Very low	33.9	Very low	104 Å²	104	122.6 Å²	122.6	86%	0.86	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	65.3	171	0	0	0	0	0	110.4	H663	H663-A665 PolarHBondContact O-N 3.45Å
666	G	30.2	Very low	34.6	Very low	71 Å²	71	120.8 Å²	120.8	73%	0.732	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-155.4	-1.3	-171	0	0	0	0	0	116.9	F664	F664-G666 PolarHBondContact O-N 3.12Å
667	R	34.8	Very low	35.4	Very low	232 Å²	232	113.6 Å²	113.6	88%	0.875	61%	0.611	S	S	*	*			trans	-90.7	105.7	164.7	-77	-174.2	171.8	-173.7	-4.3	108.7	D669	R667-D669 PolarHBondContact O-N 3.15Å
668	R	42.4	Very low	36.1	Very low	138 Å²	138	114 Å²	114	52%	0.521	60%	0.599	S	S	.	*			trans	-57.6	130.3	154.6	-95.8	-179.9	158.2	120	-8	106.8	E676	R668-E676 IonicContact CZ-OE1 3.02Å; R668-E676 IonicContact CZ-OE2 3.11Å; R668-E676 VanDerWaalsContact CZ-OE2 3.28Å; R668-E676 IonicContact NE-OE1 3.47Å; R668-E676 IonicContact NE-OE2 3.24Å; R668-E676 PolarHBondContact NE-OE2 3.33Å; R668-E676 IonicContact NH2-OE1 2.87Å; R668-E676 PolarHBondContact NH2-OE1 3.39Å; R668-E676 IonicContact NH2-OE2 3.52Å; R668-E676 PolarHBondContact NH2-OE2 3.49Å
669	D	36.5	Very low	36.8	Very low	102 Å²	102	110.7 Å²	110.7	55%	0.545	59%	0.588	S	S	.	*			trans	-64.3	142.2	168.9	-70	-60.4	0	0	0	109.1	R667 C671 T672 M673	R667-D669 PolarHBondContact O-N 3.15Å; D669-C671 PolarHBondContact O-N 2.8Å; D669-C671 VanDerWaalsContact O-N 3.15Å; D669-T672 PolarHBondContact O-N 3.18Å; D669-T672 VanDerWaalsContact O-N 3.09Å; D669-T672 PolarHBondContact O-OG1 3Å; D669-M673 PolarHBondContact O-N 3.47Å
670	S	39.3	Very low	37.4	Very low	35 Å²	35	105.6 Å²	105.6	25%	0.245	57%	0.568	C	S	.	*	H	α-helix	trans	-55	-36.8	179.3	45.8	0	0	0	0	111.5	T672 M673 T674	S670-T672 PolarHBondContact O-N 2.9Å; S670-M673 PolarHBondContact O-N 3.41Å; S670-T674 PolarHBondContact O-N 2.84Å; S670-T674 PolarHBondContact O-OG1 2.84Å
671	C	36.8	Very low	37.8	Very low	72 Å²	72	105.9 Å²	105.9	49%	0.486	56%	0.561	S	S	.	*	H	α-helix	trans	-58.9	-40.2	177.9	-51.1	0	0	0	0	113.8	D669 A675	D669-C671 PolarHBondContact O-N 2.8Å; D669-C671 VanDerWaalsContact O-N 3.15Å; C671-A675 WeakPolarHBondContact O-CB 3.16Å; C671-A675 PolarHBondContact O-N 2.84Å
672	T	45.3	Very low	37.9	Very low	72 Å²	72	103 Å²	103	44%	0.442	55%	0.548	S	S	.	.	H	α-helix	trans	-75.3	-33.1	177.5	22.6	0	0	0	0	112	D669 S670 A675 E676	D669-T672 PolarHBondContact O-N 3.18Å; D669-T672 VanDerWaalsContact O-N 3.09Å; D669-T672 PolarHBondContact O-OG1 3Å; S670-T672 PolarHBondContact O-N 2.9Å; T672-A675 PolarHBondContact O-N 2.84Å; T672-E676 WeakPolarHBondContact O-CG 3.48Å; T672-E676 PolarHBondContact O-N 2.83Å
673	M	41.9	Very low	38.3	Very low	49 Å²	49	95.3 Å²	95.3	24%	0.241	53%	0.53	C	S	.	.	H	α-helix	trans	-68.9	-45.1	173.8	-169.3	-176.2	-68.5	0	0	112	D669 S670 A675 E676 I677 I845	D669-M673 PolarHBondContact O-N 3.47Å; S670-M673 PolarHBondContact O-N 3.41Å; M673-A675 VanDerWaalsContact C-N 3.28Å; M673-A675 PolarHBondContact O-N 3.02Å; M673-E676 PolarHBondContact O-N 3.12Å; M673-I677 HydrophobicContact CG-CD1 3.93Å; M673-I677 WeakPolarHBondContact O-CB 3.3Å; M673-I677 VanDerWaalsContact O-CG1 3.29Å; M673-I677 WeakPolarHBondContact O-CG1 3.5Å; M673-I677 PolarHBondContact O-N 2.81Å; M673-I845 WeakPolarHBondContact CE-O 3.47Å; M673-I845 HydrophobicContact SD-CB 4.48Å
674	T	42.3	Very low	38.5	Very low	28 Å²	28	93.1 Å²	93.1	17%	0.172	52%	0.518	C	S	.	.	H	α-helix	trans	-58.4	-41.9	172.5	-59.9	0	0	0	0	110.5	D16 S670 I677 L678	D16-T674 HydrophobicContact CB-CG2 4.4Å; D16-T674 VanDerWaalsContact OD2-CG2 3.3Å; D16-T674 WeakPolarHBondContact OD2-CG2 3.43Å; D16-T674 PolarHBondContact OD2-OG1 3.3Å; S670-T674 PolarHBondContact O-N 2.84Å; S670-T674 PolarHBondContact O-OG1 2.84Å; T674-I677 PolarHBondContact O-N 2.79Å; T674-L678 HydrophobicContact CG2-CD1 3.74Å; T674-L678 HydrophobicContact CG2-CG 4.12Å; T674-L678 WeakPolarHBondContact O-CB 3.38Å; T674-L678 VanDerWaalsContact O-CG 3.3Å; T674-L678 WeakPolarHBondContact O-CG 3.5Å; T674-L678 PolarHBondContact O-N 3.37Å
675	A	40	Very low	39	Very low	49 Å²	49	89.8 Å²	89.8	41%	0.405	50%	0.499	S	S	.	.	H	α-helix	trans	-62.3	-49.4	177.2	0	0	0	0	0	112.7	C671 T672 M673 I677 L678 S679	C671-A675 WeakPolarHBondContact O-CB 3.16Å; C671-A675 PolarHBondContact O-N 2.84Å; T672-A675 PolarHBondContact O-N 2.84Å; M673-A675 VanDerWaalsContact C-N 3.28Å; M673-A675 PolarHBondContact O-N 3.02Å; A675-I677 VanDerWaalsContact C-N 3.31Å; A675-I677 PolarHBondContact O-N 2.9Å; A675-L678 PolarHBondContact O-N 3.11Å; A675-S679 WeakPolarHBondContact O-CB 3.22Å; A675-S679 PolarHBondContact O-N 2.97Å; A675-S679 PolarHBondContact O-OG 3.3Å
676	E	44.3	Very low	39.4	Very low	84 Å²	84	91.6 Å²	91.6	39%	0.393	50%	0.495	S	S	.	.	H	α-helix	trans	-56.7	-43.9	175.5	-75	173.2	174.7	0	0	111.7	R668 T672 M673 N680	R668-E676 IonicContact CZ-OE1 3.02Å; R668-E676 IonicContact CZ-OE2 3.11Å; R668-E676 VanDerWaalsContact CZ-OE2 3.28Å; R668-E676 IonicContact NE-OE1 3.47Å; R668-E676 IonicContact NE-OE2 3.24Å; R668-E676 PolarHBondContact NE-OE2 3.33Å; R668-E676 IonicContact NH2-OE1 2.87Å; R668-E676 PolarHBondContact NH2-OE1 3.39Å; R668-E676 IonicContact NH2-OE2 3.52Å; R668-E676 PolarHBondContact NH2-OE2 3.49Å; T672-E676 WeakPolarHBondContact O-CG 3.48Å; T672-E676 PolarHBondContact O-N 2.83Å; M673-E676 PolarHBondContact O-N 3.12Å; E676-N680 WeakPolarHBondContact O-CB 3.4Å; E676-N680 VanDerWaalsContact O-CG 3.28Å; E676-N680 PolarHBondContact O-N 3.03Å; E676-N680 VanDerWaalsContact O-N 3.08Å; E676-N680 PolarHBondContact O-ND2 2.94Å
677	I	45.6	Very low	39.8	Very low	62 Å²	62	95.6 Å²	95.6	32%	0.318	49%	0.494	S	S	.	.	H	α-helix	trans	-65.7	-45.9	178.7	-69.1	167.8	0	0	0	111.4	M673 T674 A675 N680 L681	M673-I677 HydrophobicContact CG-CD1 3.93Å; M673-I677 WeakPolarHBondContact O-CB 3.3Å; M673-I677 VanDerWaalsContact O-CG1 3.29Å; M673-I677 WeakPolarHBondContact O-CG1 3.5Å; M673-I677 PolarHBondContact O-N 2.81Å; T674-I677 PolarHBondContact O-N 2.79Å; A675-I677 VanDerWaalsContact C-N 3.31Å; A675-I677 PolarHBondContact O-N 2.9Å; I677-N680 PolarHBondContact O-N 3.05Å; I677-L681 HydrophobicContact CG2-CD1 3.83Å; I677-L681 HydrophobicContact CG2-CG 4.44Å; I677-L681 WeakPolarHBondContact O-CB 3.3Å; I677-L681 VanDerWaalsContact O-CG 3.32Å; I677-L681 WeakPolarHBondContact O-CG 3.34Å; I677-L681 PolarHBondContact O-N 3.35Å
678	L	46.5	Very low	39.9	Very low	105 Å²	105	90.9 Å²	90.9	55%	0.55	49%	0.485	S	S	.	.	H	α-helix	trans	-66.9	-36.5	178.7	-71.6	176.8	0	0	0	112.6	T674 A675 L681 A682	T674-L678 HydrophobicContact CG2-CD1 3.74Å; T674-L678 HydrophobicContact CG2-CG 4.12Å; T674-L678 WeakPolarHBondContact O-CB 3.38Å; T674-L678 VanDerWaalsContact O-CG 3.3Å; T674-L678 WeakPolarHBondContact O-CG 3.5Å; T674-L678 PolarHBondContact O-N 3.37Å; A675-L678 PolarHBondContact O-N 3.11Å; L678-L681 HydrophobicContact CD2-CD1 4.42Å; L678-L681 PolarHBondContact O-N 3.5Å; L678-A682 PolarHBondContact O-N 3.02Å
679	S	43.5	Very low	39.3	Very low	82 Å²	82	86.7 Å²	86.7	57%	0.573	49%	0.485	S	S	*	.	H	α-helix	trans	-63.5	-43.2	173.4	-68.2	0	0	0	0	112.1	A675 A682 S683	A675-S679 WeakPolarHBondContact O-CB 3.22Å; A675-S679 PolarHBondContact O-N 2.97Å; A675-S679 PolarHBondContact O-OG 3.3Å; S679-A682 PolarHBondContact O-N 3.12Å; S679-S683 PolarHBondContact O-N 3.06Å
680	N	41.7	Very low	39.2	Very low	104 Å²	104	87.3 Å²	87.3	56%	0.556	49%	0.485	S	S	*	.	H	α-helix	trans	-69.3	-37.7	177.2	-69.1	-26.9	0	0	0	112.1	E676 I677 A682 S683 F684	E676-N680 WeakPolarHBondContact O-CB 3.4Å; E676-N680 VanDerWaalsContact O-CG 3.28Å; E676-N680 PolarHBondContact O-N 3.03Å; E676-N680 VanDerWaalsContact O-N 3.08Å; E676-N680 PolarHBondContact O-ND2 2.94Å; I677-N680 PolarHBondContact O-N 3.05Å; N680-A682 VanDerWaalsContact C-N 3.31Å; N680-A682 PolarHBondContact O-N 3.27Å; N680-S683 WeakPolarHBondContact O-CB 3.3Å; N680-S683 PolarHBondContact O-N 2.96Å; N680-F684 PolarHBondContact O-N 2.96Å; N680-F684 VanDerWaalsContact O-N 3.13Å
681	L	38.7	Very low	39	Very low	98 Å²	98	95 Å²	95	51%	0.513	51%	0.514	S	S	.	.	H	α-helix	trans	-63.5	-34.3	173.3	-76.5	168.6	0	0	0	112.8	I677 L678 R685	I677-L681 HydrophobicContact CG2-CD1 3.83Å; I677-L681 HydrophobicContact CG2-CG 4.44Å; I677-L681 WeakPolarHBondContact O-CB 3.3Å; I677-L681 VanDerWaalsContact O-CG 3.32Å; I677-L681 WeakPolarHBondContact O-CG 3.34Å; I677-L681 PolarHBondContact O-N 3.35Å; L678-L681 HydrophobicContact CD2-CD1 4.42Å; L678-L681 PolarHBondContact O-N 3.5Å; L681-R685 PolarHBondContact O-N 2.97Å
682	A	34.4	Very low	38.8	Very low	51 Å²	51	99.6 Å²	99.6	42%	0.421	53%	0.534	S	S	.	.	H	α-helix	trans	-64.6	-43.9	172.3	0	0	0	0	0	111.5	L678 S679 N680 F684 R685 D686	L678-A682 PolarHBondContact O-N 3.02Å; S679-A682 PolarHBondContact O-N 3.12Å; N680-A682 VanDerWaalsContact C-N 3.31Å; N680-A682 PolarHBondContact O-N 3.27Å; A682-F684 VanDerWaalsContact C-N 3.32Å; A682-F684 PolarHBondContact O-N 3.45Å; A682-R685 WeakPolarHBondContact O-CB 3.3Å; A682-R685 PolarHBondContact O-N 3.02Å; A682-D686 PolarHBondContact O-N 2.91Å
683	S	34.6	Very low	38.3	Very low	77 Å²	77	103.3 Å²	103.3	54%	0.538	55%	0.551	S	S	.	*	H	α-helix	trans	-60	-38.8	176.9	-166.4	0	0	0	0	113	S679 N680 R685 E687	S679-S683 PolarHBondContact O-N 3.06Å; N680-S683 WeakPolarHBondContact O-CB 3.3Å; N680-S683 PolarHBondContact O-N 2.96Å; S683-R685 VanDerWaalsContact C-N 3.26Å; S683-R685 PolarHBondContact O-N 3.07Å; S683-E687 PolarHBondContact O-N 3.14Å
684	F	34.9	Very low	37.9	Very low	124 Å²	124	105 Å²	105	54%	0.544	58%	0.58	S	S	.	*	H	α-helix	trans	-67	-25.5	173.9	-94.7	-80.9	0	0	0	113.4	N680 A682 I688	N680-F684 PolarHBondContact O-N 2.96Å; N680-F684 VanDerWaalsContact O-N 3.13Å; A682-F684 VanDerWaalsContact C-N 3.32Å; A682-F684 PolarHBondContact O-N 3.45Å; F684-I688 WeakPolarHBondContact O-CG1 3.48Å; F684-I688 PolarHBondContact O-N 2.91Å; F684-I688 VanDerWaalsContact O-N 3.17Å
685	R	37.2	Very low	37.4	Very low	147 Å²	147	111.1 Å²	111.1	56%	0.555	61%	0.605	S	S	*	*	H	α-helix	trans	-79.2	-32.6	-178.1	-163.9	173.2	-178.1	151	8.6	112.7	L681 A682 S683 E690	L681-R685 PolarHBondContact O-N 2.97Å; A682-R685 WeakPolarHBondContact O-CB 3.3Å; A682-R685 PolarHBondContact O-N 3.02Å; S683-R685 VanDerWaalsContact C-N 3.26Å; S683-R685 PolarHBondContact O-N 3.07Å; R685-E690 IonicContact CZ-OE1 3.65Å; R685-E690 IonicContact CZ-OE2 2.77Å; R685-E690 VanDerWaalsContact CZ-OE2 3.29Å; R685-E690 IonicContact NE-OE1 3.62Å; R685-E690 IonicContact NE-OE2 3.91Å; R685-E690 PolarHBondContact NE-OE2 3.48Å; R685-E690 VanDerWaalsContact NH2-CD 3.33Å; R685-E690 IonicContact NH2-OE1 2.74Å; R685-E690 PolarHBondContact NH2-OE1 3.34Å; R685-E690 IonicContact NH2-OE2 3.52Å; R685-E690 PolarHBondContact NH2-OE2 3.08Å
686	D	36.6	Very low	37.1	Very low	142 Å²	142	116.9 Å²	116.9	76%	0.759	63%	0.627	S	S	*	*	H	α-helix	trans	-73.7	-30.8	171.5	-71.1	-32.7	0	0	0	112.1	A682	A682-D686 PolarHBondContact O-N 2.91Å
687	E	38.5	Very low	36.6	Very low	155 Å²	155	118.9 Å²	118.9	72%	0.724	64%	0.636	S	S	*	*	H	α-helix	trans	-75	-36	177.7	-167.8	169.5	-146.5	0	0	112.8	S683 G689	S683-E687 PolarHBondContact O-N 3.14Å; E687-G689 VanDerWaalsContact C-N 3.26Å; E687-G689 PolarHBondContact O-N 2.86Å; E687-G689 VanDerWaalsContact O-N 3.14Å
688	I	38	Very low	35.9	Very low	132 Å²	132	121.2 Å²	121.2	68%	0.677	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	63	174.3	-50.6	171.5	0	0	0	109.4	F684 E690	F684-I688 WeakPolarHBondContact O-CG1 3.48Å; F684-I688 PolarHBondContact O-N 2.91Å; F684-I688 VanDerWaalsContact O-N 3.17Å; I688-E690 PolarHBondContact O-N 3.29Å
689	G	28.5	Very low	35	Very low	51 Å²	51	123.1 Å²	123.1	53%	0.526	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-29.8	95.5	-165.6	0	0	0	0	0	117.4	E687 F691	E687-G689 VanDerWaalsContact C-N 3.26Å; E687-G689 PolarHBondContact O-N 2.86Å; E687-G689 VanDerWaalsContact O-N 3.14Å; G689-F691 WeakPolarHBondContact O-CD2 3.45Å; G689-F691 PolarHBondContact O-N 3.21Å; G689-F691 VanDerWaalsContact O-N 3.13Å
690	E	33.9	Very low	34.4	Very low	115 Å²	115	126.4 Å²	126.4	54%	0.537	68%	0.678	S	S	.	*			trans	-74.7	100.4	178.2	-161.8	172.9	-145.1	0	0	110.3	R685 I688 N692	R685-E690 IonicContact CZ-OE1 3.65Å; R685-E690 IonicContact CZ-OE2 2.77Å; R685-E690 VanDerWaalsContact CZ-OE2 3.29Å; R685-E690 IonicContact NE-OE1 3.62Å; R685-E690 IonicContact NE-OE2 3.91Å; R685-E690 PolarHBondContact NE-OE2 3.48Å; R685-E690 VanDerWaalsContact NH2-CD 3.33Å; R685-E690 IonicContact NH2-OE1 2.74Å; R685-E690 PolarHBondContact NH2-OE1 3.34Å; R685-E690 IonicContact NH2-OE2 3.52Å; R685-E690 PolarHBondContact NH2-OE2 3.08Å; I688-E690 PolarHBondContact O-N 3.29Å; E690-N692 PolarHBondContact O-N 3.03Å
691	F	35.1	Very low	33.9	Very low	196 Å²	196	127.9 Å²	127.9	86%	0.86	69%	0.685	S	S	*	*			trans	-59.6	120.9	-179.5	-81.5	-98.9	0	0	0	111.1	G689 D693	G689-F691 WeakPolarHBondContact O-CD2 3.45Å; G689-F691 PolarHBondContact O-N 3.21Å; G689-F691 VanDerWaalsContact O-N 3.13Å; F691-D693 PolarHBondContact O-N 2.9Å
692	N	33.9	Very low	33.4	Very low	169 Å²	169	128.3 Å²	128.3	90%	0.904	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	12.1	-162.3	-90.2	-81.3	0	0	0	117.7	E690	E690-N692 PolarHBondContact O-N 3.03Å
693	D	35.4	Very low	33.2	Very low	149 Å²	149	131.7 Å²	131.7	80%	0.797	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-3.2	-173.3	-89.6	-20.6	0	0	0	115	F691 K695	F691-D693 PolarHBondContact O-N 2.9Å; D693-K695 PolarHBondContact O-N 3.48Å
694	G	32.5	Very low	32.8	Very low	84 Å²	84	132.5 Å²	132.5	87%	0.866	71%	0.714	S	S	*	*			trans	61.7	13.8	168.1	0	0	0	0	0	116.2
695	K	32	Very low	32.5	Very low	158 Å²	158	132 Å²	132	69%	0.687	73%	0.726	S	S	*	*			trans	-109.5	108.4	177.2	-77.4	-177.9	175	179.4	0	110.6	D693 H697	D693-K695 PolarHBondContact O-N 3.48Å; K695-H697 VanDerWaalsContact C-N 3.28Å; K695-H697 PolarHBondContact O-N 3.45Å
696	I	33.8	Very low	32.2	Very low	169 Å²	169	131.7 Å²	131.7	87%	0.867	74%	0.736	S	S	*	*			trans	-70.9	90.4	161.5	-53.3	173.3	0	0	0	107	S698	I696-S698 PolarHBondContact O-N 3.48Å
697	H	33.9	Very low	32	Very low	126 Å²	126	135.3 Å²	135.3	58%	0.583	75%	0.745	S	S	*	*			trans	-72.7	111.3	168.6	-98.1	-84.9	0	0	0	108.4	K695 D699	K695-H697 VanDerWaalsContact C-N 3.28Å; K695-H697 PolarHBondContact O-N 3.45Å; H697-D699 PolarHBondContact O-N 3.39Å
698	S	30.4	Very low	31.4	Very low	111 Å²	111	130.8 Å²	130.8	78%	0.776	74%	0.74	S	S	*	*	S	Bend	trans	-75.3	58.5	-179.1	57.9	0	0	0	0	112.3	I696	I696-S698 PolarHBondContact O-N 3.48Å
699	D	28.7	Very low	31.1	Very low	145 Å²	145	129.6 Å²	129.6	78%	0.775	74%	0.743	S	S	*	*			trans	-156.4	47.8	176.9	-89.9	-45.2	0	0	0	110.3	H697 I701	H697-D699 PolarHBondContact O-N 3.39Å; D699-I701 PolarHBondContact O-N 2.97Å; D699-I701 VanDerWaalsContact O-N 3.08Å
700	I	30.9	Very low	31	Very low	151 Å²	151	136.1 Å²	136.1	77%	0.774	76%	0.76	S	S	*	*			trans	-83.1	86.4	176	-55.9	-176.5	0	0	0	109.5
701	I	29.3	Very low	30.7	Very low	135 Å²	135	139.4 Å²	139.4	69%	0.692	77%	0.773	S	S	*	*			trans	-58.9	131.2	161.8	-61.1	173.7	0	0	0	107.7	D699 V703	D699-I701 PolarHBondContact O-N 2.97Å; D699-I701 VanDerWaalsContact O-N 3.08Å; I701-V703 PolarHBondContact O-N 2.8Å
702	P	29.4	Very low	30.3	Very low	108 Å²	108	136.2 Å²	136.2	70%	0.701	77%	0.769	S	S	*	*			trans	-69.2	101.1	-177.6	27.1	-34.5	0	0	0	111.1	S704	P702-S704 PolarHBondContact O-N 3.37Å
703	V	28.9	Very low	30.1	Very low	121 Å²	121	136.4 Å²	136.4	73%	0.733	76%	0.764	S	S	*	*			trans	-74.1	65	173.2	-169.6	0	0	0	0	110.2	I701	I701-V703 PolarHBondContact O-N 2.8Å
704	S	27.2	Very low	29.8	Very low	95 Å²	95	135.4 Å²	135.4	66%	0.664	76%	0.758	S	S	*	*			trans	-69.6	151.4	154.9	65.5	0	0	0	0	109.2	P702	P702-S704 PolarHBondContact O-N 3.37Å
705	S	28.8	Very low	29.8	Very low	113 Å²	113	136.8 Å²	136.8	79%	0.79	75%	0.751	S	S	*	*			trans	56.8	98.1	-172.2	71.7	0	0	0	0	116.1
706	N	30.8	Very low	29.6	Very low	141 Å²	141	136.8 Å²	136.8	75%	0.754	76%	0.759	S	S	*	*			trans	-131.4	47.6	154.6	-143.7	-11.6	0	0	0	112.1	G708	N706-G708 PolarHBondContact O-N 2.81Å
707	F	32.3	Very low	29.4	Very low	217 Å²	217	139.8 Å²	139.8	95%	0.952	76%	0.759	S	S	*	*			trans	-69.6	101.8	148.9	-94.7	-82.9	0	0	0	106.5
708	G	26.4	Very low	29.2	Very low	61 Å²	61	140.8 Å²	140.8	63%	0.629	77%	0.774	S	S	*	*			trans	-73.3	155.4	-158.7	0	0	0	0	0	115.8	N706	N706-G708 PolarHBondContact O-N 2.81Å
709	S	30.3	Very low	29.1	Very low	106 Å²	106	138.9 Å²	138.9	74%	0.741	77%	0.772	S	S	*	*			trans	-139.4	145.2	146.8	65.6	0	0	0	0	108.8	F711	S709-F711 PolarHBondContact O-N 3.13Å; S709-F711 VanDerWaalsContact O-N 3.07Å
710	H	26.7	Very low	29.1	Very low	188 Å²	188	138.8 Å²	138.8	87%	0.87	78%	0.777	S	S	*	*			trans	-69.8	104.1	-173.8	-67.6	-91	0	0	0	112
711	F	28.1	Very low	29	Very low	184 Å²	184	142.6 Å²	142.6	81%	0.807	78%	0.783	S	S	*	*			trans	-132.4	95.9	159.3	-93	-78.9	0	0	0	111.7	S709 H713	S709-F711 PolarHBondContact O-N 3.13Å; S709-F711 VanDerWaalsContact O-N 3.07Å; F711-H713 PolarHBondContact O-N 2.86Å
712	V	27.7	Very low	29	Very low	129 Å²	129	142.9 Å²	142.9	78%	0.782	79%	0.786	S	S	*	*			trans	-74.3	89.3	168.9	179.4	0	0	0	0	108.1	I714	V712-I714 HydrophobicContact CG1-CG1 4.26Å; V712-I714 PolarHBondContact O-N 3.22Å
713	H	28.7	Very low	29.3	Very low	173 Å²	173	142.2 Å²	142.2	80%	0.801	78%	0.782	S	S	*	*			trans	-83.4	94.8	174	-138.1	-46.9	0	0	0	110.4	F711	F711-H713 PolarHBondContact O-N 2.86Å
714	I	29.3	Very low	29.2	Very low	129 Å²	129	144.1 Å²	144.1	66%	0.662	78%	0.784	S	S	*	*			trans	-56.6	143.5	172.4	-66.6	173.1	0	0	0	109.3	V712 N716	V712-I714 HydrophobicContact CG1-CG1 4.26Å; V712-I714 PolarHBondContact O-N 3.22Å; I714-N716 PolarHBondContact O-N 2.95Å
715	P	32.8	Very low	29.5	Very low	113 Å²	113	147.2 Å²	147.2	73%	0.734	79%	0.788	S	S	*	*			trans	-54.5	137.7	-178.5	-28.3	35.9	0	0	0	113.3	R717	P715-R717 PolarHBondContact O-N 2.84Å
716	N	27.1	Very low	29.6	Very low	158 Å²	158	148.5 Å²	148.5	85%	0.845	79%	0.786	S	S	*	*			trans	-65.8	92.1	-176.6	-173.2	2.5	0	0	0	111.6	I714	I714-N716 PolarHBondContact O-N 2.95Å
717	R	30.4	Very low	29.8	Very low	232 Å²	232	148.4 Å²	148.4	88%	0.875	79%	0.785	S	S	*	*			trans	-96	121.1	164.3	-89.3	-168.3	171.4	-165.2	-1.6	109.9	P715 G719	P715-R717 PolarHBondContact O-N 2.84Å; R717-G719 PolarHBondContact O-N 2.99Å
718	T	28.4	Very low	29.8	Very low	146 Å²	146	145 Å²	145	90%	0.896	78%	0.777	S	S	*	*			trans	-47.1	114.3	170.4	36	0	0	0	0	112.1
719	G	29.9	Very low	30.3	Very low	72 Å²	72	150.4 Å²	150.4	74%	0.742	79%	0.79	S	S	*	*			trans	-153.7	104.9	178.6	0	0	0	0	0	110.7	R717 Y721	R717-G719 PolarHBondContact O-N 2.99Å; G719-Y721 PolarHBondContact O-N 3.36Å
720	V	27.9	Very low	30.4	Very low	143 Å²	143	151.9 Å²	151.9	87%	0.867	79%	0.789	S	S	*	*			trans	-74.5	119.7	179.9	176.8	0	0	0	0	109.9
721	Y	29.3	Very low	30.7	Very low	230 Å²	230	148 Å²	148	90%	0.902	78%	0.779	S	S	*	*			trans	-157.5	145.5	149.6	-107.5	-71.1	0	0	0	112.2	G719	G719-Y721 PolarHBondContact O-N 3.36Å
722	N	28.4	Very low	31.1	Very low	142 Å²	142	147.4 Å²	147.4	76%	0.759	78%	0.783	S	S	*	*			trans	-165.2	159	-174.4	-166	41.9	0	0	0	106.4
723	P	35.2	Very low	31.5	Very low	94 Å²	94	147.2 Å²	147.2	61%	0.61	78%	0.777	S	S	*	*			cis	-123	-164.9	-17.2	25.5	-1.6	0	0	0	112.1
724	M	27.4	Very low	32	Very low	160 Å²	160	149.3 Å²	149.3	79%	0.788	78%	0.784	S	S	*	*			trans	70.4	122.6	154.8	-57.8	-156.8	73.7	0	0	121
725	H	33.6	Very low	32.4	Very low	161 Å²	161	149 Å²	149	75%	0.745	78%	0.784	S	S	*	*				-148.8	123.5	128.3	-129.8	-73.4	0	0	0	109.5	D727	H725-D727 IonicContact CE1-OD2 3.57Å; H725-D727 PolarHBondContact CE1-OD2 2.89Å; H725-D727 IonicContact ND1-OD2 3.28Å; H725-D727 PolarHBondContact ND1-OD2 3.27Å; H725-D727 VanDerWaalsContact ND1-OD2 3.11Å
726	N	30.5	Very low	32.6	Very low	139 Å²	139	151.7 Å²	151.7	74%	0.743	79%	0.79	S	S	*	*			trans	-87.9	151.7	149.6	-94	-0.8	0	0	0	106.5
727	D	35.2	Very low	32.9	Very low	139 Å²	139	152.5 Å²	152.5	74%	0.743	79%	0.786	S	S	*	*			trans	-157.8	139.4	150.7	-99.5	-40	0	0	0	110.8	H725	H725-D727 IonicContact CE1-OD2 3.57Å; H725-D727 PolarHBondContact CE1-OD2 2.89Å; H725-D727 IonicContact ND1-OD2 3.28Å; H725-D727 PolarHBondContact ND1-OD2 3.27Å; H725-D727 VanDerWaalsContact ND1-OD2 3.11Å
728	D	31.8	Very low	33.2	Very low	145 Å²	145	150.5 Å²	150.5	78%	0.775	79%	0.787	S	S	*	*			trans	-83.6	133.6	-179.8	-70.2	-72.9	0	0	0	111.7
729	I	37.7	Very low	33.4	Very low	175 Å²	175	152.4 Å²	152.4	90%	0.897	78%	0.783	S	S	*	*			trans	-128.3	117.2	153	-59.8	-175.8	0	0	0	109.3
730	N	33.2	Very low	33.6	Very low	137 Å²	137	153.7 Å²	153.7	73%	0.733	78%	0.776	S	S	*	*			trans	-100.8	171.6	-172.3	-128.9	-54.5	0	0	0	112
731	T	32.5	Very low	34.1	Very low	107 Å²	107	153 Å²	153	66%	0.656	77%	0.772	S	S	*	*			trans	77.3	120.3	162.6	-12.9	0	0	0	0	118.9
732	I	35.7	Very low	34.1	Very low	171 Å²	171	150.4 Å²	150.4	88%	0.877	77%	0.768	S	S	*	*				-156.6	135.7	112.1	-100.1	157.8	0	0	0	109.1
733	N	36.5	Very low	34.4	Very low	126 Å²	126	151 Å²	151	67%	0.674	77%	0.771	S	S	*	*			trans	-81.6	148.7	-172.9	-76.8	-75.5	0	0	0	113.5
734	K	40.1	Very low	34.4	Very low	216 Å²	216	153.8 Å²	153.8	94%	0.939	78%	0.775	S	S	*	*			trans	-147.8	120.1	141.6	-112.9	168.3	-173	175.7	0	111.5
735	N	36.3	Very low	34.7	Very low	122 Å²	122	152.1 Å²	152.1	65%	0.652	77%	0.77	S	S	*	*			trans	-84.9	137.2	-178.2	-75.3	-90.3	0	0	0	111.7
736	I	37.7	Very low	34.7	Very low	171 Å²	171	151.2 Å²	151.2	88%	0.877	77%	0.77	S	S	*	*			trans	-136	133.5	141.6	-60.9	-174.5	0	0	0	107.6
737	K	32.4	Very low	34.9	Very low	175 Å²	175	153.2 Å²	153.2	76%	0.761	78%	0.777	S	S	*	*			trans	-124.6	132.5	179.4	-75.6	-178.6	177.4	176.4	0	111.3
738	Q	37	Very low	34.9	Very low	190 Å²	190	152.9 Å²	152.9	89%	0.888	78%	0.78	S	S	*	*			trans	-160.8	120.9	151.3	-99.4	156.2	30.3	0	0	104.8
739	K	34	Very low	35.1	Very low	185 Å²	185	151.4 Å²	151.4	80%	0.804	78%	0.778	S	S	*	*			cis	66.4	127.4	42.9	-126.8	-156.1	176	-172	0	110.2
740	T	33.9	Very low	35.1	Very low	99 Å²	99	147 Å²	147	61%	0.607	76%	0.763	S	S	*	*			cis	-162.7	163.1	23.3	-34.7	0	0	0	0	113.5
741	T	36.9	Very low	35.2	Very low	128 Å²	128	146.9 Å²	146.9	79%	0.785	76%	0.762	S	S	*	*			trans	80.2	141.2	147.1	20.9	0	0	0	0	123.6
742	H	29.3	Very low	35.1	Very low	177 Å²	177	146.1 Å²	146.1	82%	0.819	76%	0.761	S	S	*	*			trans	-80.1	168.1	176.2	-46.8	-108.5	0	0	0	113.7
743	L	35.7	Very low	35	Very low	155 Å²	155	144.8 Å²	144.8	81%	0.812	76%	0.755	S	S	*	*				-169.5	125.7	116.5	-102.9	165.5	0	0	0	115.3
744	H	34.2	Very low	35	Very low	152 Å²	152	145.6 Å²	145.6	70%	0.704	76%	0.758	S	S	*	*			trans	23.9	131.7	147.6	-76.3	142.2	0	0	0	125.6
745	N	34.2	Very low	34.5	Very low	125 Å²	125	143.6 Å²	143.6	67%	0.668	75%	0.752	S	S	*	*				98.6	121.5	123.3	-72	4.9	0	0	0	123.5
746	N	34.9	Very low	34.5	Very low	142 Å²	142	142.2 Å²	142.2	76%	0.759	75%	0.749	S	S	*	*			trans	105.1	136.7	134.5	-70.1	-1.6	0	0	0	122.2
747	M	33.2	Very low	34	Very low	181 Å²	181	139.6 Å²	139.6	89%	0.892	74%	0.742	S	S	*	*			trans	82.2	80.8	157.5	-67.9	171.9	72.2	0	0	121
748	V	34.9	Very low	33.9	Very low	132 Å²	132	136.9 Å²	136.9	80%	0.8	74%	0.74	S	S	*	*			trans	-48.7	155	136.2	-169.1	0	0	0	0	109.7
749	P	37.8	Very low	33.5	Very low	114 Å²	114	132.3 Å²	132.3	74%	0.74	73%	0.729	S	S	*	*			cis	-131.6	-166.7	29.6	48.2	-31.2	0	0	0	114.3
750	S	36.9	Very low	33.3	Very low	83 Å²	83	129.5 Å²	129.5	58%	0.58	72%	0.722	S	S	*	*			cis	-156.4	162.8	8.4	-139.9	0	0	0	0	111.4
751	D	35.5	Very low	33.2	Very low	133 Å²	133	132.8 Å²	132.8	71%	0.711	73%	0.731	S	S	*	*			trans	45.6	118.6	149	-49.1	-41.4	0	0	0	119.6
752	S	29.9	Very low	32.9	Very low	91 Å²	91	131.7 Å²	131.7	64%	0.636	72%	0.724	S	S	*	*			cis	57.2	112.7	22.6	88.5	0	0	0	0	114.8
753	L	33.7	Very low	32.9	Very low	144 Å²	144	130 Å²	130	75%	0.754	72%	0.72	S	S	*	*				-175.1	153.3	99.6	-115.9	57.1	0	0	0	112.1
754	I	37.4	Very low	32.8	Very low	143 Å²	143	129.5 Å²	129.5	73%	0.733	72%	0.723	S	S	*	*			trans	54.3	123.1	143.9	-63.3	166.8	0	0	0	118.2
755	H	28.2	Very low	32.5	Very low	174 Å²	174	127.6 Å²	127.6	81%	0.806	72%	0.722	S	S	*	*			cis	77	171.6	43.4	-128.9	-4	0	0	0	112.7
756	P	36	Very low	32.5	Very low	92 Å²	92	127.6 Å²	127.6	60%	0.597	73%	0.727	S	S	*	*				-122.1	-159.2	-114.4	43.6	-29.8	0	0	0	116
757	T	29	Very low	32.3	Very low	117 Å²	117	125.1 Å²	125.1	72%	0.718	72%	0.721	S	S	*	*			trans	90.1	135.7	151.1	34.3	0	0	0	0	122.6
758	T	29.3	Very low	32.2	Very low	118 Å²	118	123.7 Å²	123.7	72%	0.724	72%	0.715	S	S	*	*			trans	69.2	104	144.1	49.6	0	0	0	0	122.8
759	S	29.1	Very low	32.1	Very low	93 Å²	93	123.4 Å²	123.4	65%	0.65	71%	0.714	S	S	*	*				93.9	157.5	110.3	78.5	0	0	0	0	122.2
760	N	30.1	Very low	31.7	Very low	126 Å²	126	124.7 Å²	124.7	67%	0.674	71%	0.714	S	S	*	*			trans	81.9	119.2	152.5	-66.6	-10.5	0	0	0	121.1
761	H	31.4	Very low	31.6	Very low	168 Å²	168	127.5 Å²	127.5	78%	0.778	73%	0.729	S	S	*	*			trans	69.5	150.7	144.4	-62.3	-43	0	0	0	119.1
762	T	30.8	Very low	31.5	Very low	106 Å²	106	128 Å²	128	65%	0.65	73%	0.731	S	S	*	*			cis	-160.1	144.7	-16.5	-99.2	0	0	0	0	110.5
763	I	29.2	Very low	31.6	Very low	142 Å²	142	130.4 Å²	130.4	73%	0.728	74%	0.742	S	S	*	*			trans	8.5	126.6	154.4	-50.3	165.2	0	0	0	118.3
764	T	32.8	Very low	31.5	Very low	143 Å²	143	129.2 Å²	129.2	88%	0.877	74%	0.741	S	S	*	*			trans	-152.6	146.2	133.4	-71.7	0	0	0	0	109.7
765	T	28.7	Very low	31.3	Very low	112 Å²	112	128.7 Å²	128.7	69%	0.687	75%	0.745	S	S	*	*			trans	-97.4	-179.3	-168.3	-39.1	0	0	0	0	112.3
766	T	33.8	Very low	31.3	Very low	126 Å²	126	125.8 Å²	125.8	77%	0.773	74%	0.739	S	S	*	*			trans	94.3	139.4	153	-40.6	0	0	0	0	116.5
767	S	30	Very low	30.9	Very low	90 Å²	90	127.1 Å²	127.1	63%	0.629	75%	0.746	S	S	*	*			cis	-171.3	160.2	-45.1	55.5	0	0	0	0	111.6
768	I	31.1	Very low	30.9	Very low	151 Å²	151	126.8 Å²	126.8	77%	0.774	74%	0.744	S	S	*	*			trans	59.7	136.7	159.6	-13.6	179.8	0	0	0	121.6
769	T	33.1	Very low	30.8	Very low	125 Å²	125	128.4 Å²	128.4	77%	0.767	75%	0.748	S	S	*	*			trans	119.9	132.8	130.6	-25.2	0	0	0	0	117.8
770	N	30.6	Very low	30.8	Very low	141 Å²	141	128.7 Å²	128.7	75%	0.754	75%	0.746	S	S	*	*			trans	-77	158.6	178.5	-44.4	-36.5	0	0	0	112.7
771	T	34.7	Very low	30.7	Very low	143 Å²	143	129.6 Å²	129.6	88%	0.877	76%	0.756	S	S	*	*			trans	-141.6	130.8	137.5	-18.3	0	0	0	0	110
772	N	32.3	Very low	30.5	Very low	143 Å²	143	126.5 Å²	126.5	77%	0.765	75%	0.749	S	S	*	*			trans	-80.4	148.4	174.9	-68.2	-20.2	0	0	0	110.7
773	T	32.6	Very low	30.3	Very low	141 Å²	141	128.5 Å²	128.5	87%	0.865	76%	0.762	S	S	*	*			trans	-143.7	123	150.9	-37.1	0	0	0	0	109.3
774	T	31.1	Very low	30.2	Very low	119 Å²	119	127.4 Å²	127.4	73%	0.73	76%	0.762	S	S	*	*			trans	-86.7	132.8	-169.6	-45.9	0	0	0	0	111.5
775	T	32.5	Very low	29.9	Very low	133 Å²	133	127 Å²	127	82%	0.816	76%	0.764	S	S	*	*			trans	-129.2	120.3	157	-49.6	0	0	0	0	108.5
776	T	28.6	Very low	29.9	Very low	112 Å²	112	127 Å²	127	69%	0.687	77%	0.769	S	S	*	*			trans	-82	127.9	-168.8	-35.5	0	0	0	0	111.6
777	T	28.7	Very low	29.6	Very low	121 Å²	121	125.9 Å²	125.9	74%	0.742	77%	0.766	S	S	*	*			trans	-141.3	101.2	163.6	-51.9	0	0	0	0	109.6	N779	T777-N779 PolarHBondContact O-N 3.45Å; T777-N779 VanDerWaalsContact O-N 3.17Å
778	T	27.8	Very low	29.6	Very low	109 Å²	109	129.4 Å²	129.4	67%	0.669	78%	0.778	S	S	*	*			trans	-84.2	87.6	-171.9	-51.4	0	0	0	0	111.4	T780	T778-T780 WeakPolarHBondContact CG2-OG1 3.39Å; T778-T780 PolarHBondContact O-N 3.41Å
779	N	28.5	Very low	29.4	Very low	153 Å²	153	129.3 Å²	129.3	82%	0.818	78%	0.78	S	S	*	*			trans	-93.3	71.5	166.9	-80.4	4.2	0	0	0	110.5	T777	T777-N779 PolarHBondContact O-N 3.45Å; T777-N779 VanDerWaalsContact O-N 3.17Å
780	T	29.3	Very low	29.2	Very low	99 Å²	99	131 Å²	131	61%	0.607	78%	0.783	S	S	*	*			trans	-70	137.5	166.5	-52.9	0	0	0	0	109.3	T778 T782	T778-T780 WeakPolarHBondContact CG2-OG1 3.39Å; T778-T780 PolarHBondContact O-N 3.41Å; T780-T782 PolarHBondContact O-N 3.23Å
781	T	26.2	Very low	29	Very low	144 Å²	144	129.7 Å²	129.7	88%	0.883	79%	0.786	S	S	*	*			trans	-70.2	91.6	177.9	-41.2	0	0	0	0	111.2
782	T	27.5	Very low	28.7	Very low	104 Å²	104	129.1 Å²	129.1	64%	0.638	78%	0.777	S	S	*	*			trans	-126	117.8	170.4	34.6	0	0	0	0	110.9	T780 T784	T780-T782 PolarHBondContact O-N 3.23Å; T782-T784 PolarHBondContact O-N 3.42Å; T782-T784 VanDerWaalsContact O-N 3.16Å
783	T	26.4	Very low	28.5	Very low	148 Å²	148	130 Å²	130	91%	0.908	78%	0.78	S	S	*	*			trans	-64.6	108.1	173	43	0	0	0	0	110.6
784	T	27.7	Very low	28.3	Very low	119 Å²	119	132.5 Å²	132.5	73%	0.73	78%	0.775	S	S	*	*			trans	-111.7	110.9	173.6	37.6	0	0	0	0	111.1	T782 S786	T782-T784 PolarHBondContact O-N 3.42Å; T782-T784 VanDerWaalsContact O-N 3.16Å; T784-S786 PolarHBondContact O-N 3.39Å
785	S	25.8	Very low	28.1	Very low	133 Å²	133	133.1 Å²	133.1	93%	0.93	78%	0.779	S	S	*	*			trans	-60.3	118.3	174.5	-48.2	0	0	0	0	110.6
786	S	29.3	Very low	27.9	Very low	112 Å²	112	131.4 Å²	131.4	78%	0.783	77%	0.768	S	S	*	*			trans	-124.6	100.5	168.3	42.3	0	0	0	0	109.3	T784 N788	T784-S786 PolarHBondContact O-N 3.39Å; S786-N788 PolarHBondContact O-N 2.97Å
787	S	27	Very low	27.9	Very low	103 Å²	103	130.1 Å²	130.1	72%	0.72	76%	0.757	S	S	*	*			trans	-69.4	114.8	178	53.2	0	0	0	0	110.8
788	N	29.9	Very low	28.1	Very low	164 Å²	164	135.7 Å²	135.7	88%	0.877	77%	0.765	S	S	*	*			trans	-111.7	118.9	159.1	-92.2	-30	0	0	0	108.6	S786 N790	S786-N788 PolarHBondContact O-N 2.97Å; N788-N790 PolarHBondContact O-N 2.93Å
789	N	27.1	Very low	28.2	Very low	150 Å²	150	134.4 Å²	134.4	80%	0.802	76%	0.759	S	S	*	*			trans	-77.2	121	-170.6	-62.3	-35	0	0	0	111.1
790	N	29.3	Very low	28.4	Very low	159 Å²	159	135.5 Å²	135.5	85%	0.85	75%	0.752	S	S	*	*			trans	-136.6	113.9	157	-100.1	-29.7	0	0	0	108	N788 N792	N788-N790 PolarHBondContact O-N 2.93Å; N790-N792 PolarHBondContact O-N 3.23Å; N790-N792 VanDerWaalsContact O-N 3.08Å
791	S	26.9	Very low	28.4	Very low	115 Å²	115	137 Å²	137	80%	0.804	76%	0.755	S	S	*	*			trans	-84.8	79.9	-166.2	54.5	0	0	0	0	112.7
792	N	28.8	Very low	28.8	Very low	131 Å²	131	135.4 Å²	135.4	70%	0.701	74%	0.738	S	S	*	*			trans	-94	120.7	162.1	-78.4	-12.6	0	0	0	109.5	N790 Y794	N790-N792 PolarHBondContact O-N 3.23Å; N790-N792 VanDerWaalsContact O-N 3.08Å; N792-Y794 HydrophobicContact CB-CD2 4.31Å; N792-Y794 HydrophobicContact CB-CE2 4.12Å; N792-Y794 PolarHBondContact O-N 3.14Å
793	I	26.9	Very low	29	Very low	161 Å²	161	137.5 Å²	137.5	83%	0.826	75%	0.745	S	S	*	*			trans	-76.5	90.2	-177.3	-57.5	174.8	0	0	0	109.2	T795	I793-T795 PolarHBondContact O-N 2.91Å
794	Y	28	Very low	29	Very low	194 Å²	194	138.3 Å²	138.3	76%	0.761	74%	0.741	S	S	*	*			trans	-80.3	104.3	167.9	-81.9	-85.9	0	0	0	110	N792 V796	N792-Y794 HydrophobicContact CB-CD2 4.31Å; N792-Y794 HydrophobicContact CB-CE2 4.12Å; N792-Y794 PolarHBondContact O-N 3.14Å; Y794-V796 PolarHBondContact O-N 3.25Å
795	T	28.3	Very low	29.1	Very low	132 Å²	132	141.1 Å²	141.1	81%	0.81	75%	0.745	S	S	*	*			trans	-66.8	95.5	162.7	45.7	0	0	0	0	109	I793 D797	I793-T795 PolarHBondContact O-N 2.91Å; T795-D797 PolarHBondContact O-N 3.09Å
796	V	27.4	Very low	29.1	Very low	97 Å²	97	142.9 Å²	142.9	59%	0.588	74%	0.736	S	S	*	*			trans	-73.8	109.4	-178.1	179.9	0	0	0	0	110.4	Y794 R798 L801	Y794-V796 PolarHBondContact O-N 3.25Å; V796-R798 PolarHBondContact O-N 2.74Å; V796-L801 HydrophobicContact CG1-CD1 3.65Å
797	D	30.1	Very low	29	Very low	85 Å²	85	144.8 Å²	144.8	46%	0.455	74%	0.736	S	S	.	*			trans	-49.2	110.6	164.8	-82.9	-45.1	0	0	0	110.2	T795 C799 R800	T795-D797 PolarHBondContact O-N 3.09Å; D797-C799 PolarHBondContact O-N 2.87Å; D797-C799 VanDerWaalsContact O-N 3.09Å; D797-R800 HydrophobicContact CB-CB 3.97Å; D797-R800 HydrophobicContact CB-CG 3.93Å; D797-R800 PolarHBondContact O-N 3.34Å; D797-R800 IonicContact OD2-CZ 2.9Å; D797-R800 IonicContact OD2-NH1 3.22Å; D797-R800 PolarHBondContact OD2-NH1 3.24Å
798	R	31.1	Very low	29	Very low	238 Å²	238	145.8 Å²	145.8	90%	0.898	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-20.5	174.8	-81.9	-175	171.1	175.5	-2.3	112.9	V796	V796-R798 PolarHBondContact O-N 2.74Å
799	C	30.6	Very low	28.8	Very low	82 Å²	82	142.5 Å²	142.5	55%	0.554	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-23.2	172.5	-62.3	0	0	0	0	114.1	D797	D797-C799 PolarHBondContact O-N 2.87Å; D797-C799 VanDerWaalsContact O-N 3.09Å
800	R	31.9	Very low	28.9	Very low	176 Å²	176	143.4 Å²	143.4	66%	0.664	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-78.8	-19.2	-178.7	-86.2	-178.7	153.1	116.8	-6.4	114	D797 Q802 N803	D797-R800 HydrophobicContact CB-CB 3.97Å; D797-R800 HydrophobicContact CB-CG 3.93Å; D797-R800 PolarHBondContact O-N 3.34Å; D797-R800 IonicContact OD2-CZ 2.9Å; D797-R800 IonicContact OD2-NH1 3.22Å; D797-R800 PolarHBondContact OD2-NH1 3.24Å; R800-Q802 VanDerWaalsContact C-N 3.29Å; R800-Q802 PolarHBondContact O-N 2.58Å; R800-N803 PolarHBondContact O-N 3.28Å
801	L	31.2	Very low	28.8	Very low	129 Å²	129	140.9 Å²	140.9	68%	0.675	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-77.1	-4.2	-171.7	-109.4	149.1	0	0	0	115.6	V796	V796-L801 HydrophobicContact CG1-CD1 3.65Å
802	Q	32.8	Very low	28.8	Very low	112 Å²	112	138.8 Å²	138.8	52%	0.523	71%	0.71	S	S	.	*	G	3₁₀ helix	trans	-95.4	-11.2	170.3	-71.4	-172.7	-32	0	0	113.7	R800 M804	R800-Q802 VanDerWaalsContact C-N 3.29Å; R800-Q802 PolarHBondContact O-N 2.58Å; Q802-M804 PolarHBondContact O-N 3.29Å; Q802-M804 VanDerWaalsContact O-N 3.11Å
803	N	32.3	Very low	28.6	Very low	148 Å²	148	135.6 Å²	135.6	79%	0.791	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	12.4	-175.8	-118.6	5.3	0	0	0	114.9	R800	R800-N803 PolarHBondContact O-N 3.28Å
804	M	26.9	Very low	28.5	Very low	165 Å²	165	137.2 Å²	137.2	81%	0.813	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	8	-175.1	-76.1	-67.5	-72.2	0	0	114.3	Q802	Q802-M804 PolarHBondContact O-N 3.29Å; Q802-M804 VanDerWaalsContact O-N 3.11Å
805	H	29	Very low	28.7	Very low	178 Å²	178	134.4 Å²	134.4	82%	0.824	72%	0.715	S	S	*	*	S	Bend	trans	-147.1	34.5	177.5	-126	-75.8	0	0	0	116
806	F	26.2	Very low	28.8	Very low	170 Å²	170	135.2 Å²	135.2	75%	0.746	71%	0.714	S	S	*	*			trans	-110.8	49.1	171.2	-130.5	-91.2	0	0	0	113.2	Q808	F806-Q808 HydrophobicContact CD1-CB 4.06Å; F806-Q808 HydrophobicContact CE1-CB 4.06Å; F806-Q808 PolarHBondContact O-N 3.08Å
807	I	27.1	Very low	28.8	Very low	151 Å²	151	137.9 Å²	137.9	77%	0.774	73%	0.725	S	S	*	*			trans	-69.1	84.4	154.3	-58.1	178.4	0	0	0	106.4	S809	I807-S809 VanDerWaalsContact C-N 3.33Å; I807-S809 PolarHBondContact O-N 3.26Å
808	Q	28.1	Very low	28.8	Very low	125 Å²	125	140.1 Å²	140.1	58%	0.584	74%	0.737	S	S	*	*			trans	-69.8	98.1	166.2	-175.8	166.5	1.5	0	0	107	F806 H810	F806-Q808 HydrophobicContact CD1-CB 4.06Å; F806-Q808 HydrophobicContact CE1-CB 4.06Å; F806-Q808 PolarHBondContact O-N 3.08Å; Q808-H810 VanDerWaalsContact C-N 3.34Å; Q808-H810 PolarHBondContact O-N 3.46Å
809	S	25.8	Very low	28.7	Very low	94 Å²	94	135 Å²	135	66%	0.657	73%	0.727	S	S	*	*			trans	-59.6	95.1	177.6	-63.9	0	0	0	0	110.2	I807 S811	I807-S809 VanDerWaalsContact C-N 3.33Å; I807-S809 PolarHBondContact O-N 3.26Å; S809-S811 PolarHBondContact O-N 3.41Å
810	H	27.8	Very low	28.7	Very low	169 Å²	169	137.9 Å²	137.9	78%	0.782	74%	0.737	S	S	*	*			trans	-69.2	67.7	164.4	-75.5	-71.5	0	0	0	109.5	Q808 G812	Q808-H810 VanDerWaalsContact C-N 3.34Å; Q808-H810 PolarHBondContact O-N 3.46Å; H810-G812 PolarHBondContact O-N 3.04Å
811	S	27.3	Very low	28.5	Very low	106 Å²	106	135.7 Å²	135.7	74%	0.741	74%	0.739	S	S	*	*			trans	-67	89.7	163.2	55.7	0	0	0	0	107.6	S809 G813	S809-S811 PolarHBondContact O-N 3.41Å; S811-G813 VanDerWaalsContact C-N 3.34Å; S811-G813 PolarHBondContact O-N 3.06Å
812	G	26.4	Very low	28.4	Very low	72 Å²	72	137 Å²	137	74%	0.742	75%	0.746	S	S	*	*			trans	-61.9	93	175.9	0	0	0	0	0	110.3	H810 E814	H810-G812 PolarHBondContact O-N 3.04Å; G812-E814 PolarHBondContact O-N 3.08Å
813	G	25.6	Very low	28.1	Very low	63 Å²	63	137.2 Å²	137.2	65%	0.649	76%	0.755	S	S	*	*			trans	-72.6	106.1	171.6	0	0	0	0	0	109.4	S811 V815	S811-G813 VanDerWaalsContact C-N 3.34Å; S811-G813 PolarHBondContact O-N 3.06Å; G813-V815 PolarHBondContact O-N 2.96Å
814	E	25.5	Very low	27.9	Very low	195 Å²	195	137.6 Å²	137.6	91%	0.911	76%	0.756	S	S	*	*			trans	-63.2	96.7	172.3	-63.7	-177.2	140.3	0	0	110.1	G812	G812-E814 PolarHBondContact O-N 3.08Å
815	V	30.7	Very low	27.8	Very low	136 Å²	136	136.4 Å²	136.4	82%	0.824	75%	0.752	S	S	*	*			trans	-99.2	103.4	170.7	-176.4	0	0	0	0	108.3	G813 N817	G813-V815 PolarHBondContact O-N 2.96Å; V815-N817 PolarHBondContact O-N 3.15Å
816	N	30.8	Very low	27.8	Very low	148 Å²	148	133 Å²	133	79%	0.791	74%	0.744	S	S	*	*			trans	-58.7	132.4	-177.4	-114	-51.1	0	0	0	112.2	N818	N816-N818 PolarHBondContact O-N 2.94Å
817	N	27.6	Very low	27.7	Very low	153 Å²	153	131.7 Å²	131.7	82%	0.818	75%	0.745	S	S	*	*			trans	-63	113.9	167.7	-88.5	-34.7	0	0	0	110	V815	V815-N817 PolarHBondContact O-N 3.15Å
818	N	29.7	Very low	27.7	Very low	132 Å²	132	128.7 Å²	128.7	71%	0.706	74%	0.737	S	S	*	*			trans	-159.6	94.1	157.2	-103.8	-51.9	0	0	0	112.6	N816	N816-N818 PolarHBondContact O-N 2.94Å
819	N	29.1	Very low	27.7	Very low	130 Å²	130	128 Å²	128	70%	0.695	75%	0.747	S	S	*	*			trans	65.9	134.7	147.6	-50.2	-39.4	0	0	0	120.4
820	N	30	Very low	28	Very low	143 Å²	143	128.5 Å²	128.5	77%	0.765	74%	0.741	S	S	*	*			trans	80.4	106.8	155.9	-53.2	-17.9	0	0	0	118.8
821	N	28.8	Very low	28.3	Very low	130 Å²	130	124.4 Å²	124.4	70%	0.695	73%	0.729	S	S	*	*			trans	80	126.2	140.6	-54.6	10	0	0	0	119.6
822	D	28.9	Very low	28.5	Very low	156 Å²	156	125.2 Å²	125.2	83%	0.834	73%	0.729	S	S	*	*			trans	54.5	62.8	140.7	-49.7	-27.5	0	0	0	118.1
823	T	26.8	Very low	29.1	Very low	117 Å²	117	125.6 Å²	125.6	72%	0.718	71%	0.714	S	S	*	*			trans	-129.5	97.5	159.2	-39.2	0	0	0	0	111	L825	T823-L825 PolarHBondContact O-N 3.2Å
824	I	28.3	Very low	29.4	Very low	156 Å²	156	129.6 Å²	129.6	80%	0.8	71%	0.71	S	S	*	*			trans	-73.5	95.5	171.2	-58.4	177.2	0	0	0	107.9	T826	I824-T826 VanDerWaalsContact C-N 3.33Å; I824-T826 HydrophobicContact CG2-CG2 4.11Å; I824-T826 PolarHBondContact O-N 3.49Å
825	L	25.3	Very low	30.3	Very low	140 Å²	140	122.6 Å²	122.6	73%	0.733	68%	0.683	S	S	*	*			trans	-70.7	88.8	171	-83.8	164.5	0	0	0	109.8	T823 N827	T823-L825 PolarHBondContact O-N 3.2Å; L825-N827 VanDerWaalsContact C-N 3.29Å; L825-N827 PolarHBondContact O-N 3.2Å
826	T	27.4	Very low	31	Very low	108 Å²	108	119.3 Å²	119.3	66%	0.663	67%	0.666	S	S	*	*			trans	-68.9	88.9	167.3	51.3	0	0	0	0	109.2	I824 S828	I824-T826 VanDerWaalsContact C-N 3.33Å; I824-T826 HydrophobicContact CG2-CG2 4.11Å; I824-T826 PolarHBondContact O-N 3.49Å; T826-S828 PolarHBondContact O-N 2.91Å
827	N	25.2	Very low	31.8	Very low	142 Å²	142	114.8 Å²	114.8	76%	0.759	65%	0.645	S	S	*	*			trans	-69.5	61.5	170	-77.2	-10.4	0	0	0	110.9	L825 S829	L825-N827 VanDerWaalsContact C-N 3.29Å; L825-N827 PolarHBondContact O-N 3.2Å; N827-S829 PolarHBondContact O-N 3.05Å
828	S	27	Very low	32.9	Very low	87 Å²	87	108.8 Å²	108.8	61%	0.608	61%	0.614	S	S	*	*			trans	-83.4	59	174.4	63.9	0	0	0	0	110.5	T826 I830	T826-S828 PolarHBondContact O-N 2.91Å; S828-I830 PolarHBondContact O-N 3.05Å
829	S	27.5	Very low	34.1	Very low	112 Å²	112	105 Å²	105	78%	0.783	59%	0.592	S	S	*	*			trans	-72.7	65.4	165.8	57.1	0	0	0	0	109.4	N827	N827-S829 PolarHBondContact O-N 3.05Å
830	I	32.4	Very low	35.3	Very low	104 Å²	104	102.3 Å²	102.3	53%	0.533	58%	0.575	S	S	.	*			trans	-61.1	122.8	170	-60.4	176.2	0	0	0	106	S828 T832 P860	S828-I830 PolarHBondContact O-N 3.05Å; I830-T832 PolarHBondContact O-N 2.78Å; I830-T832 VanDerWaalsContact O-N 3.13Å; I830-P860 HydrophobicContact CD1-CB 4.44Å; I830-P860 HydrophobicContact CD1-CG 3.86Å
831	P	34	Very low	36.7	Very low	83 Å²	83	99.2 Å²	99.2	54%	0.539	56%	0.561	S	S	.	*			trans	-63.3	120	177.1	25.8	-32.8	0	0	0	108.4	I833	P831-I833 HydrophobicContact CB-CG1 4.43Å; P831-I833 HydrophobicContact CG-CG1 4.43Å; P831-I833 PolarHBondContact O-N 3.48Å
832	T	32.1	Very low	38.1	Very low	122 Å²	122	93.1 Å²	93.1	75%	0.748	53%	0.529	S	S	*	.			trans	-72	78.2	172.1	-48.2	0	0	0	0	108.3	I830 Y834	I830-T832 PolarHBondContact O-N 2.78Å; I830-T832 VanDerWaalsContact O-N 3.13Å; T832-Y834 WeakPolarHBondContact O-CD2 3.34Å; T832-Y834 PolarHBondContact O-N 3.17Å
833	I	38.3	Very low	39.6	Very low	80 Å²	80	90.9 Å²	90.9	41%	0.41	52%	0.517	S	S	.	.			trans	-60.8	110.1	178.4	-48.6	-179.6	0	0	0	107	P831 S835 C837 V838 Y854	P831-I833 HydrophobicContact CB-CG1 4.43Å; P831-I833 HydrophobicContact CG-CG1 4.43Å; P831-I833 PolarHBondContact O-N 3.48Å; I833-S835 PolarHBondContact O-N 3.34Å; I833-C837 HydrophobicContact CG2-CB 4.32Å; I833-V838 HydrophobicContact CB-CG2 4.29Å; I833-V838 HydrophobicContact CG2-CG2 3.55Å; I833-Y854 PolarHBondContact O-OH 3.48Å
834	Y	32.8	Very low	41	Very low	147 Å²	147	92.4 Å²	92.4	58%	0.576	51%	0.514	S	S	*	.			trans	-60.8	139.1	-176.7	-90.3	-99.5	0	0	0	110.2	T832 S836 C837 V838	T832-Y834 WeakPolarHBondContact O-CD2 3.34Å; T832-Y834 PolarHBondContact O-N 3.17Å; Y834-S836 PolarHBondContact O-N 3.5Å; Y834-S836 VanDerWaalsContact O-N 3.11Å; Y834-C837 WeakPolarHBondContact O-CB 3.29Å; Y834-C837 PolarHBondContact O-N 2.99Å; Y834-V838 PolarHBondContact O-N 3.2Å
835	S	43.7	Very low	42.5	Very low	49 Å²	49	88.2 Å²	88.2	34%	0.343	49%	0.492	S	S	.	.	H	α-helix	trans	-54.2	-36.5	-176.3	-175.4	0	0	0	0	113	I833 C837 V838 H839 Y854	I833-S835 PolarHBondContact O-N 3.34Å; S835-C837 VanDerWaalsContact C-N 3.27Å; S835-C837 PolarHBondContact O-N 3.03Å; S835-V838 PolarHBondContact O-N 3.2Å; S835-H839 PolarHBondContact O-CD2 3.07Å; S835-H839 PolarHBondContact O-N 3.11Å; S835-H839 PolarHBondContact OG-CD2 3.32Å; S835-Y854 VanDerWaalsContact CA-OH 3.29Å; S835-Y854 WeakPolarHBondContact CA-OH 3.47Å; S835-Y854 WeakPolarHBondContact CB-OH 3.35Å; S835-Y854 PolarHBondContact N-OH 2.92Å
836	S	45.5	Very low	43.8	Very low	66 Å²	66	84.8 Å²	84.8	46%	0.462	49%	0.491	S	S	.	.	H	α-helix	trans	-55.9	-36.1	173	49.7	0	0	0	0	114.1	Y834 H840	Y834-S836 PolarHBondContact O-N 3.5Å; Y834-S836 VanDerWaalsContact O-N 3.11Å; S836-H840 WeakPolarHBondContact O-CB 3.1Å; S836-H840 PolarHBondContact O-N 3.04Å
837	C	46.7	Very low	45.2	Very low	54 Å²	54	83.1 Å²	83.1	37%	0.365	48%	0.477	S	S	.	.	H	α-helix	trans	-75.1	-44.3	-177.4	-56.5	0	0	0	0	111.1	I833 Y834 S835 H840 V841	I833-C837 HydrophobicContact CG2-CB 4.32Å; Y834-C837 WeakPolarHBondContact O-CB 3.29Å; Y834-C837 PolarHBondContact O-N 2.99Å; S835-C837 VanDerWaalsContact C-N 3.27Å; S835-C837 PolarHBondContact O-N 3.03Å; C837-H840 PolarHBondContact O-N 3.1Å; C837-V841 WeakPolarHBondContact O-CG2 3.49Å; C837-V841 PolarHBondContact O-N 3.45Å
838	V	52.1	Low	47	Very low	26 Å²	26	81.4 Å²	81.4	16%	0.158	48%	0.476	C	S	.	.	H	α-helix	trans	-66	-47.1	178.3	-174.3	0	0	0	0	110.6	I833 Y834 S835 H840 V841 G842 M849 Y854 L857	I833-V838 HydrophobicContact CB-CG2 4.29Å; I833-V838 HydrophobicContact CG2-CG2 3.55Å; Y834-V838 PolarHBondContact O-N 3.2Å; S835-V838 PolarHBondContact O-N 3.2Å; V838-H840 PolarHBondContact O-N 3.31Å; V838-V841 PolarHBondContact O-N 2.94Å; V838-G842 PolarHBondContact O-N 3.17Å; V838-M849 HydrophobicContact CG1-CE 3.77Å; V838-M849 HydrophobicContact CG1-SD 4.02Å; V838-M849 WeakPolarHBondContact O-CE 3.41Å; V838-Y854 HydrophobicContact CB-CD2 4.14Å; V838-Y854 HydrophobicContact CB-CE2 3.93Å; V838-Y854 HydrophobicContact CG1-CD2 4.17Å; V838-Y854 HydrophobicContact CG1-CE2 4.38Å; V838-Y854 HydrophobicContact CG2-CE2 3.99Å; V838-L857 HydrophobicContact CG1-CD1 4.07Å
839	H	53.5	Low	48.8	Very low	52 Å²	52	78.9 Å²	78.9	24%	0.241	46%	0.455	C	S	.	.	H	α-helix	trans	-59.4	-45.8	174.5	-82.9	-74.9	0	0	0	112	S835 V841 G842 D843 M849	S835-H839 PolarHBondContact O-CD2 3.07Å; S835-H839 PolarHBondContact O-N 3.11Å; S835-H839 PolarHBondContact OG-CD2 3.32Å; H839-V841 VanDerWaalsContact C-N 3.33Å; H839-V841 PolarHBondContact O-N 3.33Å; H839-G842 WeakPolarHBondContact O-CA 3.48Å; H839-G842 PolarHBondContact O-N 2.94Å; H839-G842 VanDerWaalsContact O-N 3.12Å; H839-D843 VanDerWaalsContact O-CG 3.24Å; H839-D843 PolarHBondContact O-N 3.04Å; H839-M849 PolarHBondContact CE1-O 2.93Å
840	H	56.2	Low	50.8	Low	75 Å²	75	75.7 Å²	75.7	35%	0.347	43%	0.433	S	S	.	.	H	α-helix	trans	-66.3	-31.6	-179.6	-172.5	49.8	0	0	0	113.8	S836 C837 V838 K844	S836-H840 WeakPolarHBondContact O-CB 3.1Å; S836-H840 PolarHBondContact O-N 3.04Å; C837-H840 PolarHBondContact O-N 3.1Å; V838-H840 PolarHBondContact O-N 3.31Å; H840-K844 VanDerWaalsContact NE2-CE 3.27Å; H840-K844 WeakPolarHBondContact NE2-CE 3.43Å; H840-K844 PolarHBondContact NE2-NZ 3.45Å; H840-K844 WeakPolarHBondContact O-CB 3.4Å; H840-K844 WeakPolarHBondContact O-CG 3.17Å; H840-K844 PolarHBondContact O-N 3.4Å; H840-K844 VanDerWaalsContact O-N 3.16Å
841	V	57.8	Low	52.3	Low	77 Å²	77	75.3 Å²	75.3	47%	0.467	44%	0.437	S	S	.	.	H	α-helix	trans	-67.2	-46.8	169.9	169	0	0	0	0	110.4	C837 V838 H839 K844 I845	C837-V841 WeakPolarHBondContact O-CG2 3.49Å; C837-V841 PolarHBondContact O-N 3.45Å; V838-V841 PolarHBondContact O-N 2.94Å; H839-V841 VanDerWaalsContact C-N 3.33Å; H839-V841 PolarHBondContact O-N 3.33Å; V841-K844 PolarHBondContact O-N 2.77Å; V841-I845 HydrophobicContact CG1-CD1 4.34Å; V841-I845 WeakPolarHBondContact O-CG1 3.35Å; V841-I845 PolarHBondContact O-N 3.05Å; V841-I845 VanDerWaalsContact O-N 3.09Å
842	G	58	Low	53.8	Low	2 Å²	2	76.5 Å²	76.5	2%	0.021	44%	0.439	C	S	.	.	H	α-helix	trans	-55	-51.9	175.7	0	0	0	0	0	113.3	V838 H839 K844 I845 G846 I847	V838-G842 PolarHBondContact O-N 3.17Å; H839-G842 WeakPolarHBondContact O-CA 3.48Å; H839-G842 PolarHBondContact O-N 2.94Å; H839-G842 VanDerWaalsContact O-N 3.12Å; G842-K844 VanDerWaalsContact C-N 3.29Å; G842-K844 PolarHBondContact O-N 3.33Å; G842-I845 CarbonylContact O-C 3.47Å; G842-I845 WeakPolarHBondContact O-CG1 3.48Å; G842-I845 PolarHBondContact O-N 2.96Å; G842-I845 VanDerWaalsContact O-N 3.11Å; G842-G846 PolarHBondContact O-N 3.41Å; G842-I847 CarbonylContact C-O 3.34Å; G842-I847 WeakPolarHBondContact CA-O 3.35Å; G842-I847 PolarHBondContact O-N 3.24Å
843	D	60.5	Low	55.3	Low	109 Å²	109	72.7 Å²	72.7	58%	0.583	41%	0.414	S	S	*	.	H	α-helix	trans	-59.1	-40.2	177.9	-63.4	-26.4	0	0	0	111.4	H839 I845 G846	H839-D843 VanDerWaalsContact O-CG 3.24Å; H839-D843 PolarHBondContact O-N 3.04Å; D843-I845 VanDerWaalsContact C-N 3.32Å; D843-I845 PolarHBondContact O-N 2.99Å; D843-G846 PolarHBondContact O-N 2.85Å
844	K	57.2	Low	56.4	Low	150 Å²	150	70.9 Å²	70.9	65%	0.652	40%	0.402	S	S	*	.	H	α-helix	trans	-67.3	-25	176.8	-87.6	174.9	159.4	165.1	0	114.5	H840 V841 G842	H840-K844 VanDerWaalsContact NE2-CE 3.27Å; H840-K844 WeakPolarHBondContact NE2-CE 3.43Å; H840-K844 PolarHBondContact NE2-NZ 3.45Å; H840-K844 WeakPolarHBondContact O-CB 3.4Å; H840-K844 WeakPolarHBondContact O-CG 3.17Å; H840-K844 PolarHBondContact O-N 3.4Å; H840-K844 VanDerWaalsContact O-N 3.16Å; V841-K844 PolarHBondContact O-N 2.77Å; G842-K844 VanDerWaalsContact C-N 3.29Å; G842-K844 PolarHBondContact O-N 3.33Å
845	I	59.7	Low	57.6	Low	67 Å²	67	70.9 Å²	70.9	34%	0.344	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	10.4	176	68.5	-173.1	0	0	0	112.8	M673 V841 G842 D843 I847	M673-I845 WeakPolarHBondContact CE-O 3.47Å; M673-I845 HydrophobicContact SD-CB 4.48Å; V841-I845 HydrophobicContact CG1-CD1 4.34Å; V841-I845 WeakPolarHBondContact O-CG1 3.35Å; V841-I845 PolarHBondContact O-N 3.05Å; V841-I845 VanDerWaalsContact O-N 3.09Å; G842-I845 CarbonylContact O-C 3.47Å; G842-I845 WeakPolarHBondContact O-CG1 3.48Å; G842-I845 PolarHBondContact O-N 2.96Å; G842-I845 VanDerWaalsContact O-N 3.11Å; D843-I845 VanDerWaalsContact C-N 3.32Å; D843-I845 PolarHBondContact O-N 2.99Å; I845-I847 VanDerWaalsContact C-N 3.27Å; I845-I847 HydrophobicContact CD1-CD1 3.81Å; I845-I847 HydrophobicContact CD1-CG1 4.32Å; I845-I847 HydrophobicContact CG1-CB 4.12Å; I845-I847 HydrophobicContact CG1-CD1 3.97Å; I845-I847 HydrophobicContact CG1-CG1 3.94Å; I845-I847 PolarHBondContact O-N 2.89Å
846	G	52	Low	58.6	Low	68 Å²	68	71.4 Å²	71.4	70%	0.701	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	13.8	178.9	0	0	0	0	0	115.3	G842 D843	G842-G846 PolarHBondContact O-N 3.41Å; D843-G846 PolarHBondContact O-N 2.85Å
847	I	56.7	Low	59.2	Low	73 Å²	73	70.1 Å²	70.1	37%	0.374	39%	0.388	S	S	.	.			trans	-98.8	96.6	178.7	-60.6	178.3	0	0	0	109.6	G842 I845 M849	G842-I847 CarbonylContact C-O 3.34Å; G842-I847 WeakPolarHBondContact CA-O 3.35Å; G842-I847 PolarHBondContact O-N 3.24Å; I845-I847 VanDerWaalsContact C-N 3.27Å; I845-I847 HydrophobicContact CD1-CD1 3.81Å; I845-I847 HydrophobicContact CD1-CG1 4.32Å; I845-I847 HydrophobicContact CG1-CB 4.12Å; I845-I847 HydrophobicContact CG1-CD1 3.97Å; I845-I847 HydrophobicContact CG1-CG1 3.94Å; I845-I847 PolarHBondContact O-N 2.89Å; I847-M849 HydrophobicContact CG2-CG 4.13Å; I847-M849 PolarHBondContact O-N 3.06Å
848	S	63	Low	59.6	Low	106 Å²	106	70.2 Å²	70.2	74%	0.741	39%	0.387	S	S	*	.			trans	-69.9	96.3	171.6	62.5	0	0	0	0	110.9
849	M	65.6	Low	59.8	Low	35 Å²	35	70.2 Å²	70.2	17%	0.172	39%	0.386	C	S	.	.			trans	-79.8	131.6	174.7	-73.5	173	-70.9	0	0	111.5	V838 H839 I847 D853 L857	V838-M849 HydrophobicContact CG1-CE 3.77Å; V838-M849 HydrophobicContact CG1-SD 4.02Å; V838-M849 WeakPolarHBondContact O-CE 3.41Å; H839-M849 PolarHBondContact CE1-O 2.93Å; I847-M849 HydrophobicContact CG2-CG 4.13Å; I847-M849 PolarHBondContact O-N 3.06Å; M849-D853 HydrophobicContact CB-CB 4.25Å; M849-D853 HydrophobicContact CG-CB 4.39Å; M849-L857 HydrophobicContact SD-CD1 3.34Å; M849-L857 WeakPolarHBondContact SD-CD1 3.47Å
850	S	70.3	Confident	59.7	Low	44 Å²	44	70.8 Å²	70.8	31%	0.308	39%	0.394	S	S	.	.			trans	-74.9	161.9	168.4	78	0	0	0	0	111.1	N852 D853 Y854	S850-N852 PolarHBondContact O-N 3.03Å; S850-N852 VanDerWaalsContact O-N 3.08Å; S850-N852 PolarHBondContact OG-N 3.15Å; S850-D853 WeakPolarHBondContact CA-OD2 3.33Å; S850-D853 WeakPolarHBondContact CB-OD2 3.31Å; S850-D853 PolarHBondContact N-OD2 2.95Å; S850-D853 PolarHBondContact O-N 3.38Å; S850-D853 PolarHBondContact OG-N 2.95Å; S850-D853 PolarHBondContact OG-OD2 3.45Å; S850-Y854 PolarHBondContact O-N 2.69Å
851	P	63	Low	59.4	Low	97 Å²	97	76 Å²	76	63%	0.63	41%	0.411	S	S	*	.	H	α-helix	trans	-58.5	-19.6	172	-26.1	36	0	0	0	114.3	R855	P851-R855 WeakPolarHBondContact O-CG 3.37Å; P851-R855 PolarHBondContact O-N 2.61Å
852	N	65.3	Low	59.2	Low	108 Å²	108	74.9 Å²	74.9	58%	0.578	40%	0.402	S	S	*	.	H	α-helix	trans	-79.1	-40.8	173.8	-71.2	-24.9	0	0	0	111.6	S850 Y854 R855 L856	S850-N852 PolarHBondContact O-N 3.03Å; S850-N852 VanDerWaalsContact O-N 3.08Å; S850-N852 PolarHBondContact OG-N 3.15Å; N852-Y854 VanDerWaalsContact C-N 3.3Å; N852-Y854 PolarHBondContact O-N 3.43Å; N852-R855 PolarHBondContact O-N 2.82Å; N852-R855 VanDerWaalsContact O-N 3.08Å; N852-L856 WeakPolarHBondContact O-CG 3.4Å; N852-L856 PolarHBondContact O-N 3.16Å
853	D	64.6	Low	58.8	Low	42 Å²	42	77.5 Å²	77.5	23%	0.225	42%	0.415	C	S	.	.	H	α-helix	trans	-63.5	-40.6	175.7	-49.8	-51	0	0	0	110.3	F10 M849 S850 R855 L856 L857	F10-D853 HydrophobicContact CZ-CB 4.41Å; M849-D853 HydrophobicContact CB-CB 4.25Å; M849-D853 HydrophobicContact CG-CB 4.39Å; S850-D853 WeakPolarHBondContact CA-OD2 3.33Å; S850-D853 WeakPolarHBondContact CB-OD2 3.31Å; S850-D853 PolarHBondContact N-OD2 2.95Å; S850-D853 PolarHBondContact O-N 3.38Å; S850-D853 PolarHBondContact OG-N 2.95Å; S850-D853 PolarHBondContact OG-OD2 3.45Å; D853-R855 VanDerWaalsContact C-N 3.33Å; D853-R855 PolarHBondContact O-N 2.89Å; D853-L856 PolarHBondContact O-N 2.9Å; D853-L857 WeakPolarHBondContact O-CB 3.33Å; D853-L857 PolarHBondContact O-N 3.22Å
854	Y	59.8	Low	58.1	Low	42 Å²	42	77.9 Å²	77.9	17%	0.165	42%	0.417	C	S	.	.	H	α-helix	trans	-57.6	-42.8	170.7	-178.1	-95.7	0	0	0	112.3	I833 S835 V838 S850 N852 L856 L857 T858	I833-Y854 PolarHBondContact O-OH 3.48Å; S835-Y854 VanDerWaalsContact CA-OH 3.29Å; S835-Y854 WeakPolarHBondContact CA-OH 3.47Å; S835-Y854 WeakPolarHBondContact CB-OH 3.35Å; S835-Y854 PolarHBondContact N-OH 2.92Å; V838-Y854 HydrophobicContact CB-CD2 4.14Å; V838-Y854 HydrophobicContact CB-CE2 3.93Å; V838-Y854 HydrophobicContact CG1-CD2 4.17Å; V838-Y854 HydrophobicContact CG1-CE2 4.38Å; V838-Y854 HydrophobicContact CG2-CE2 3.99Å; S850-Y854 PolarHBondContact O-N 2.69Å; N852-Y854 VanDerWaalsContact C-N 3.3Å; N852-Y854 PolarHBondContact O-N 3.43Å; Y854-L856 PolarHBondContact O-N 2.86Å; Y854-L857 WeakPolarHBondContact O-CB 3.44Å; Y854-L857 PolarHBondContact O-N 3Å; Y854-T858 HydrophobicContact CD1-CG2 4.49Å; Y854-T858 HydrophobicContact CD2-CG2 4.12Å; Y854-T858 HydrophobicContact CE1-CG2 3.99Å; Y854-T858 WeakPolarHBondContact CE1-OG1 3.3Å; Y854-T858 HydrophobicContact CE2-CG2 3.57Å; Y854-T858 VanDerWaalsContact CZ-CG2 3.49Å; Y854-T858 PolarHBondContact O-N 3.22Å; Y854-T858 PolarHBondContact O-OG1 3.46Å
855	R	58.2	Low	57.4	Low	146 Å²	146	79.5 Å²	79.5	55%	0.551	42%	0.42	S	S	*	.	H	α-helix	trans	-67.4	-33.7	176.3	-75.1	-179.9	68.2	-162.4	-0.5	113.4	P851 N852 D853 L857 D859	P851-R855 WeakPolarHBondContact O-CG 3.37Å; P851-R855 PolarHBondContact O-N 2.61Å; N852-R855 PolarHBondContact O-N 2.82Å; N852-R855 VanDerWaalsContact O-N 3.08Å; D853-R855 VanDerWaalsContact C-N 3.33Å; D853-R855 PolarHBondContact O-N 2.89Å; R855-L857 VanDerWaalsContact C-N 3.33Å; R855-D859 WeakPolarHBondContact O-CB 3.32Å; R855-D859 PolarHBondContact O-N 3.45Å
856	L	64.9	Low	56.7	Low	61 Å²	61	79.7 Å²	79.7	32%	0.319	42%	0.424	S	S	.	.	H	α-helix	trans	-67.2	-35.7	171.7	-66.8	171.3	0	0	0	111.5	N852 D853 Y854 L862	N852-L856 WeakPolarHBondContact O-CG 3.4Å; N852-L856 PolarHBondContact O-N 3.16Å; D853-L856 PolarHBondContact O-N 2.9Å; Y854-L856 PolarHBondContact O-N 2.86Å; L856-L862 HydrophobicContact CD2-CB 4.17Å; L856-L862 HydrophobicContact CD2-CD1 4.24Å
857	L	58.3	Low	56.7	Low	38 Å²	38	79.9 Å²	79.9	20%	0.199	41%	0.412	C	S	.	.	H	α-helix	trans	-70.6	-34.3	175.4	-84	161.8	0	0	0	114	M14 V838 M849 D853 Y854 R855	M14-L857 HydrophobicContact CE-CD2 3.61Å; M14-L857 HydrophobicContact CE-CG 3.78Å; M14-L857 HydrophobicContact SD-CD1 4.32Å; M14-L857 HydrophobicContact SD-CD2 3.52Å; M14-L857 VanDerWaalsContact SD-CD2 3.52Å; M14-L857 HydrophobicContact SD-CG 3.75Å; V838-L857 HydrophobicContact CG1-CD1 4.07Å; M849-L857 HydrophobicContact SD-CD1 3.34Å; M849-L857 WeakPolarHBondContact SD-CD1 3.47Å; D853-L857 WeakPolarHBondContact O-CB 3.33Å; D853-L857 PolarHBondContact O-N 3.22Å; Y854-L857 WeakPolarHBondContact O-CB 3.44Å; Y854-L857 PolarHBondContact O-N 3Å; R855-L857 VanDerWaalsContact C-N 3.33Å
858	T	55.6	Low	56.5	Low	57 Å²	57	79.8 Å²	79.8	35%	0.35	41%	0.412	S	S	.	.	H	α-helix	trans	-116.5	-6.7	-168.6	71.3	0	0	0	0	116.8	Y854 P860	Y854-T858 HydrophobicContact CD1-CG2 4.49Å; Y854-T858 HydrophobicContact CD2-CG2 4.12Å; Y854-T858 HydrophobicContact CE1-CG2 3.99Å; Y854-T858 WeakPolarHBondContact CE1-OG1 3.3Å; Y854-T858 HydrophobicContact CE2-CG2 3.57Å; Y854-T858 VanDerWaalsContact CZ-CG2 3.49Å; Y854-T858 PolarHBondContact O-N 3.22Å; Y854-T858 PolarHBondContact O-OG1 3.46Å; T858-P860 WeakPolarHBondContact O-CD 3.27Å
859	D	55	Low	56.2	Low	25 Å²	25	82.7 Å²	82.7	13%	0.134	41%	0.412	C	S	.	.			trans	-90.7	114.3	170.5	-165.6	-38.3	0	0	0	110.2	R855 R861 L862 I863	R855-D859 WeakPolarHBondContact O-CB 3.32Å; R855-D859 PolarHBondContact O-N 3.45Å; D859-R861 PolarHBondContact O-N 2.84Å; D859-R861 VanDerWaalsContact OD1-CB 3.27Å; D859-R861 WeakPolarHBondContact OD1-CB 3.45Å; D859-R861 IonicContact OD1-CZ 3.39Å; D859-R861 PolarHBondContact OD1-N 2.89Å; D859-R861 IonicContact OD1-NE 3.21Å; D859-R861 PolarHBondContact OD1-NE 2.97Å; D859-R861 IonicContact OD1-NH2 2.82Å; D859-R861 IonicContact OD2-CZ 3.52Å; D859-R861 IonicContact OD2-NE 2.62Å; D859-R861 PolarHBondContact OD2-NE 3.27Å; D859-R861 IonicContact OD2-NH2 3.85Å; D859-R861 PolarHBondContact OD2-NH2 2.71Å; D859-L862 HydrophobicContact CB-CB 4.15Å; D859-L862 HydrophobicContact CB-CD1 3.95Å; D859-L862 HydrophobicContact CB-CG 3.98Å; D859-L862 PolarHBondContact O-N 3.24Å; D859-I863 PolarHBondContact O-N 3.17Å
860	P	51.5	Low	55.9	Low	64 Å²	64	86.7 Å²	86.7	42%	0.416	43%	0.43	S	S	.	.	H	α-helix	trans	-58	-20.2	180	-25	35.5	0	0	0	114.2	I830 T858	I830-P860 HydrophobicContact CD1-CB 4.44Å; I830-P860 HydrophobicContact CD1-CG 3.86Å; T858-P860 WeakPolarHBondContact O-CD 3.27Å
861	R	51.1	Low	55.3	Low	186 Å²	186	87.5 Å²	87.5	70%	0.702	43%	0.433	S	S	*	.	H	α-helix	trans	-81.3	-22.2	177.2	-57.3	166.1	-68.1	-167.7	1.8	112.6	D859	D859-R861 PolarHBondContact O-N 2.84Å; D859-R861 VanDerWaalsContact OD1-CB 3.27Å; D859-R861 WeakPolarHBondContact OD1-CB 3.45Å; D859-R861 IonicContact OD1-CZ 3.39Å; D859-R861 PolarHBondContact OD1-N 2.89Å; D859-R861 IonicContact OD1-NE 3.21Å; D859-R861 PolarHBondContact OD1-NE 2.97Å; D859-R861 IonicContact OD1-NH2 2.82Å; D859-R861 IonicContact OD2-CZ 3.52Å; D859-R861 IonicContact OD2-NE 2.62Å; D859-R861 PolarHBondContact OD2-NE 3.27Å; D859-R861 IonicContact OD2-NH2 3.85Å; D859-R861 PolarHBondContact OD2-NH2 2.71Å
862	L	52.3	Low	54.9	Low	52 Å²	52	85.4 Å²	85.4	27%	0.272	42%	0.415	S	S	.	.	H	α-helix	trans	-95.5	-27.9	177.7	-61.7	179.1	0	0	0	112.3	L856 D859 N864 Y865	L856-L862 HydrophobicContact CD2-CB 4.17Å; L856-L862 HydrophobicContact CD2-CD1 4.24Å; D859-L862 HydrophobicContact CB-CB 4.15Å; D859-L862 HydrophobicContact CB-CD1 3.95Å; D859-L862 HydrophobicContact CB-CG 3.98Å; D859-L862 PolarHBondContact O-N 3.24Å; L862-N864 PolarHBondContact O-N 2.65Å; L862-N864 VanDerWaalsContact O-N 3.15Å; L862-Y865 HydrophobicContact CD2-CD2 4.43Å; L862-Y865 WeakPolarHBondContact O-CB 3.26Å; L862-Y865 PolarHBondContact O-N 2.62Å
863	I	49.4	Very low	54.6	Low	57 Å²	57	82.4 Å²	82.4	29%	0.292	41%	0.405	S	S	.	.	H	α-helix	trans	-50.6	-38.5	172.4	-74.8	174.8	0	0	0	111.7	D859 Y865 T867	D859-I863 PolarHBondContact O-N 3.17Å; I863-Y865 VanDerWaalsContact C-N 3.3Å; I863-Y865 PolarHBondContact O-N 3.42Å; I863-T867 VanDerWaalsContact O-CG2 3.31Å; I863-T867 WeakPolarHBondContact O-CG2 3.46Å
864	N	46.2	Very low	54.4	Low	117 Å²	117	85.4 Å²	85.4	63%	0.626	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-74.1	-10.4	179.8	-73.7	-17.3	0	0	0	115.4	L862 V866 T867	L862-N864 PolarHBondContact O-N 2.65Å; L862-N864 VanDerWaalsContact O-N 3.15Å; N864-V866 VanDerWaalsContact C-N 3.28Å; N864-V866 PolarHBondContact O-N 3.42Å; N864-T867 WeakPolarHBondContact CA-OG1 3.49Å
865	Y	43.4	Very low	54.5	Low	184 Å²	184	87.3 Å²	87.3	72%	0.722	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-77.2	-11.3	178.5	-91	-95.3	0	0	0	113.7	L862 I863	L862-Y865 HydrophobicContact CD2-CD2 4.43Å; L862-Y865 WeakPolarHBondContact O-CB 3.26Å; L862-Y865 PolarHBondContact O-N 2.62Å; I863-Y865 VanDerWaalsContact C-N 3.3Å; I863-Y865 PolarHBondContact O-N 3.42Å
866	V	45.2	Very low	54.8	Low	72 Å²	72	84.4 Å²	84.4	44%	0.436	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-134.8	30.5	-178.3	-153.9	0	0	0	0	112.2	A11 N864	A11-V866 HydrophobicContact CB-CG1 3.64Å; N864-V866 VanDerWaalsContact C-N 3.28Å; N864-V866 PolarHBondContact O-N 3.42Å
867	T	51.6	Low	54.6	Low	71 Å²	71	88.1 Å²	88.1	44%	0.436	44%	0.443	S	S	.	.			trans	-124.7	-10.1	178.6	53.8	0	0	0	0	114.8	I863 N864 K869	I863-T867 VanDerWaalsContact O-CG2 3.31Å; I863-T867 WeakPolarHBondContact O-CG2 3.46Å; N864-T867 WeakPolarHBondContact CA-OG1 3.49Å; T867-K869 PolarHBondContact O-N 2.78Å
868	D	51.3	Low	54.3	Low	72 Å²	72	94.9 Å²	94.9	39%	0.385	47%	0.474	S	S	.	.			trans	-71.8	114.9	172.7	172	34.5	0	0	0	111	E870 T871 E872	D868-E870 PolarHBondContact O-N 3.01Å; D868-E870 WeakPolarHBondContact OD1-CB 3.41Å; D868-E870 PolarHBondContact OD1-N 3.21Å; D868-E870 WeakPolarHBondContact OD2-CB 3.21Å; D868-T871 PolarHBondContact O-N 3.39Å; D868-T871 VanDerWaalsContact O-N 3.17Å; D868-T871 VanDerWaalsContact OD2-CB 3.26Å; D868-T871 WeakPolarHBondContact OD2-CB 3.4Å; D868-T871 PolarHBondContact OD2-N 3Å; D868-T871 PolarHBondContact OD2-OG1 3.33Å; D868-E872 PolarHBondContact O-N 3.38Å
869	K	58.1	Low	54.3	Low	167 Å²	167	96.8 Å²	96.8	73%	0.726	48%	0.48	S	S	*	.	H	α-helix	trans	-64.2	-25.6	178	-162.7	172.8	-172.7	173.1	0	112.7	T867 A873	T867-K869 PolarHBondContact O-N 2.78Å; K869-A873 VanDerWaalsContact O-CB 3.3Å; K869-A873 WeakPolarHBondContact O-CB 3.07Å; K869-A873 PolarHBondContact O-N 3.28Å
870	E	58.7	Low	54.2	Low	119 Å²	119	100.6 Å²	100.6	56%	0.556	50%	0.498	S	S	*	.	H	α-helix	trans	-75.1	-37.1	174.9	-148.2	-171.1	121.7	0	0	111.2	D868 A873 K874	D868-E870 PolarHBondContact O-N 3.01Å; D868-E870 WeakPolarHBondContact OD1-CB 3.41Å; D868-E870 PolarHBondContact OD1-N 3.21Å; D868-E870 WeakPolarHBondContact OD2-CB 3.21Å; E870-A873 PolarHBondContact O-N 3.32Å; E870-K874 WeakPolarHBondContact O-CB 3.18Å; E870-K874 WeakPolarHBondContact O-CD 3.47Å; E870-K874 WeakPolarHBondContact O-CG 3.44Å; E870-K874 PolarHBondContact O-N 3.41Å; E870-K874 WeakPolarHBondContact OE1-CE 3.47Å; E870-K874 IonicContact OE1-NZ 3.29Å; E870-K874 PolarHBondContact OE1-NZ 2.95Å
871	T	57.4	Low	54.4	Low	61 Å²	61	102.6 Å²	102.6	37%	0.374	50%	0.503	S	S	.	.	H	α-helix	trans	-70.6	-41.1	173.4	-62.8	0	0	0	0	112	D868 A873 K874 L875	D868-T871 PolarHBondContact O-N 3.39Å; D868-T871 VanDerWaalsContact O-N 3.17Å; D868-T871 VanDerWaalsContact OD2-CB 3.26Å; D868-T871 WeakPolarHBondContact OD2-CB 3.4Å; D868-T871 PolarHBondContact OD2-N 3Å; D868-T871 PolarHBondContact OD2-OG1 3.33Å; T871-A873 VanDerWaalsContact C-N 3.34Å; T871-A873 PolarHBondContact O-N 3.23Å; T871-K874 PolarHBondContact O-N 3.11Å; T871-L875 HydrophobicContact CG2-CD1 4.28Å; T871-L875 WeakPolarHBondContact O-CG 3.23Å; T871-L875 PolarHBondContact O-N 3.42Å
872	E	55.1	Low	54.6	Low	52 Å²	52	97.7 Å²	97.7	24%	0.243	49%	0.491	C	S	.	.	H	α-helix	trans	-56.2	-47.7	169.1	-174.4	178	-170.1	0	0	110.6	R15 D868 K874 L875 I876	R15-E872 IonicContact CZ-OE1 3.19Å; R15-E872 IonicContact CZ-OE2 3.62Å; R15-E872 IonicContact NH1-OE1 2.71Å; R15-E872 PolarHBondContact NH1-OE1 3.02Å; R15-E872 IonicContact NH1-OE2 2.69Å; R15-E872 VanDerWaalsContact NH2-CD 3.33Å; R15-E872 IonicContact NH2-OE1 3.43Å; R15-E872 PolarHBondContact NH2-OE1 2.92Å; R15-E872 IonicContact NH2-OE2 2.85Å; R15-E872 PolarHBondContact NH2-OE2 2.94Å; D868-E872 PolarHBondContact O-N 3.38Å; E872-K874 PolarHBondContact O-N 2.96Å; E872-L875 PolarHBondContact O-N 3.37Å; E872-I876 HydrophobicContact CG-CD1 3.95Å; E872-I876 WeakPolarHBondContact O-CG1 3.24Å; E872-I876 PolarHBondContact O-N 3.33Å; E872-I876 VanDerWaalsContact O-N 3.1Å
873	A	59.7	Low	54.7	Low	45 Å²	45	100.6 Å²	100.6	37%	0.372	51%	0.505	S	S	.	.	H	α-helix	trans	-65	-34.8	176.4	0	0	0	0	0	113.6	K869 E870 T871 N877	K869-A873 VanDerWaalsContact O-CB 3.3Å; K869-A873 WeakPolarHBondContact O-CB 3.07Å; K869-A873 PolarHBondContact O-N 3.28Å; E870-A873 PolarHBondContact O-N 3.32Å; T871-A873 VanDerWaalsContact C-N 3.34Å; T871-A873 PolarHBondContact O-N 3.23Å; A873-N877 PolarHBondContact O-N 3.21Å; A873-N877 PolarHBondContact O-ND2 2.77Å
874	K	59.5	Low	55.1	Low	106 Å²	106	103.5 Å²	103.5	46%	0.461	52%	0.519	S	S	.	.	H	α-helix	trans	-69.9	-32.7	175.8	-75	160.9	-171.4	164	0	112.7	E870 T871 E872	E870-K874 WeakPolarHBondContact O-CB 3.18Å; E870-K874 WeakPolarHBondContact O-CD 3.47Å; E870-K874 WeakPolarHBondContact O-CG 3.44Å; E870-K874 PolarHBondContact O-N 3.41Å; E870-K874 WeakPolarHBondContact OE1-CE 3.47Å; E870-K874 IonicContact OE1-NZ 3.29Å; E870-K874 PolarHBondContact OE1-NZ 2.95Å; T871-K874 PolarHBondContact O-N 3.11Å; E872-K874 PolarHBondContact O-N 2.96Å
875	L	61.6	Low	55.7	Low	81 Å²	81	102.5 Å²	102.5	42%	0.424	51%	0.511	S	S	.	.	H	α-helix	trans	-76.4	-30.6	176.4	-74.2	167.1	0	0	0	113.2	T871 E872 N877	T871-L875 HydrophobicContact CG2-CD1 4.28Å; T871-L875 WeakPolarHBondContact O-CG 3.23Å; T871-L875 PolarHBondContact O-N 3.42Å; E872-L875 PolarHBondContact O-N 3.37Å; L875-N877 VanDerWaalsContact C-N 3.33Å
876	I	65.3	Low	56.7	Low	86 Å²	86	96.2 Å²	96.2	44%	0.441	50%	0.495	S	S	.	.	H	α-helix	trans	-78.2	-17.8	179.1	-69.9	168.6	0	0	0	112.7	E872	E872-I876 HydrophobicContact CG-CD1 3.95Å; E872-I876 WeakPolarHBondContact O-CG1 3.24Å; E872-I876 PolarHBondContact O-N 3.33Å; E872-I876 VanDerWaalsContact O-N 3.1Å
877	N	61.4	Low	57.6	Low	138 Å²	138	98.3 Å²	98.3	74%	0.738	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	26.9	-179.8	-69.9	-66.8	0	0	0	113.7	A873 L875	A873-N877 PolarHBondContact O-N 3.21Å; A873-N877 PolarHBondContact O-ND2 2.77Å; L875-N877 VanDerWaalsContact C-N 3.33Å
878	Q	51.9	Low	58.2	Low	181 Å²	181	100.7 Å²	100.7	85%	0.846	51%	0.506	S	S	*	.			trans	-128.4	0	173	-68.6	-176.3	26	0	0	112.4

Retrieved 878 of 878 residues in 610.1 ms (Link to these results)

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