A0A077Z1N2_TRITR Loading...

PAS domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z1N2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 918 aa.

						>A0A077Z1N2_TRITR|A0A077Z1N2
MCHSASEEKRSQYFVDLVELLQENLARTETSHLTAQSPNQHLVQEMISQWYQDKDRKNSAIQHQDVSSTAPGFSASEIGPLLLGVLDSFFFVLNSEGLVEFVSDNVINYLHLDKADLLQKSIFNLIVAADHAHFEKLLPDPLAISHSCLVCIVRRCEEHELLTSTDLDVGSNKGNEPVSRPFSSTSSLPQKVTFYCSPDGTIVAYSESEKIQLPLQEKSTEEHLRRKLTDLCADEESKRLLARHIQEVYENGIGSLSQLRLTHPTFHGKEWLVFGALSRLSSESILSESYGPMKGDDGATNPVVQLEFNAFLVNKLQDNGNMLLKSQTQSDANERECKPEVASTNSRMGVNNEVISFNNILNGAPDPTAARSATGRSATECGATVIQPNCSQQVQMSGMIDRREMLNQAIEDCTIQKDANSQRTLLSGNSGMLVRCQHAILRHLLNQETAEPNYTNLHADQAAAGINRGVEERPVEEESRPISYSLGTPAYKRTAQHDGYLDGGSQVAMSHLFLPRAASEVSLGKRRSSAPHDKAKTSGVLTILNPSMANDSAAHKSNCATSEQEEKFQHAHQSRDNKSLLIKLLEQRSPSTFILQTSTSNLSSCHKILEHSKPTSNVKFSSSKAANEIGRRSGFLQHASSLQYTENFSRTSSVSTKDPSDAICFRPADQNFMHTQMSCERDYLNATQLGMPQEKHCIPLQQIASADLSAWCIDSSRMRLASDSYSIEPSTTKILASDSYLRDRSFHDEMIDHNIQERLPFAADTNCEAVLHQSMQGGGLNMPVAYRRPIICSSALNTGGALPHSNCDNSQQCEMLAPTAFEKSHSVEVIDCSEKKFTYTRKIPLCSSSYEPAGHSLGRPICNSMVGVKEPNVNQKFYSPPISVPVDEPENTCLRLTAPGELAFMQNQPVQQPYFEIG
					

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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	39.5	Very low	51.1	Low	205 Å²	205	125 Å²	125	100%	1.01	65%	0.65	S	S	*	*				0	-61.6	0	-73	-178	171.7	0	0	112.2	H3 S4 A5	M1-H3 PolarHBondContact O-N 3.43Å; M1-S4 WeakPolarHBondContact CA-OG 3.25Å; M1-S4 PolarHBondContact O-N 2.85Å; M1-S4 PolarHBondContact O-OG 3.38Å; M1-A5 PolarHBondContact O-N 2.72Å
2	C	39.8	Very low	52.7	Low	115 Å²	115	123 Å²	123	78%	0.777	64%	0.636	S	S	*	*	H	α-helix	trans	-62.8	-41.3	179.2	-58	0	0	0	0	113.8	A5 S6	C2-A5 PolarHBondContact O-N 2.95Å; C2-S6 PolarHBondContact O-N 3.38Å
3	H	39.8	Very low	53.7	Low	159 Å²	159	126.5 Å²	126.5	74%	0.736	64%	0.637	S	S	*	*	H	α-helix	trans	-59.8	-46.7	174.8	-82.8	-91.2	0	0	0	113	M1 A5 S6 E7	M1-H3 PolarHBondContact O-N 3.43Å; H3-A5 VanDerWaalsContact C-N 3.33Å; H3-A5 PolarHBondContact O-N 3.05Å; H3-S6 WeakPolarHBondContact O-CA 3.4Å; H3-S6 VanDerWaalsContact O-CB 3.28Å; H3-S6 WeakPolarHBondContact O-CB 2.92Å; H3-S6 PolarHBondContact O-N 3.24Å; H3-E7 PolarHBondContact O-N 3.46Å
4	S	47.2	Very low	55	Low	67 Å²	67	125 Å²	125	47%	0.469	63%	0.625	S	S	.	*	H	α-helix	trans	-62	-39	179.5	48.1	0	0	0	0	112.1	M1 S6 E7 E8	M1-S4 WeakPolarHBondContact CA-OG 3.25Å; M1-S4 PolarHBondContact O-N 2.85Å; M1-S4 PolarHBondContact O-OG 3.38Å; S4-S6 PolarHBondContact O-N 3.24Å; S4-E7 PolarHBondContact O-N 3.37Å; S4-E8 WeakPolarHBondContact O-CB 3.21Å; S4-E8 PolarHBondContact O-N 2.61Å
5	A	48.5	Very low	56.3	Low	48 Å²	48	117.8 Å²	117.8	40%	0.397	59%	0.59	S	S	.	*	H	α-helix	trans	-67.3	-23	174.2	0	0	0	0	0	113.6	M1 C2 H3 K9	M1-A5 PolarHBondContact O-N 2.72Å; C2-A5 PolarHBondContact O-N 2.95Å; H3-A5 VanDerWaalsContact C-N 3.33Å; H3-A5 PolarHBondContact O-N 3.05Å; A5-K9 WeakPolarHBondContact O-CG 3.25Å; A5-K9 PolarHBondContact O-N 2.91Å
6	S	53.6	Low	57.6	Low	80 Å²	80	114.1 Å²	114.1	56%	0.559	57%	0.573	S	S	*	*	H	α-helix	trans	-76.7	-44.3	172.4	-171.2	0	0	0	0	111.5	C2 H3 S4 E8 K9 R10	C2-S6 PolarHBondContact O-N 3.38Å; H3-S6 WeakPolarHBondContact O-CA 3.4Å; H3-S6 VanDerWaalsContact O-CB 3.28Å; H3-S6 WeakPolarHBondContact O-CB 2.92Å; H3-S6 PolarHBondContact O-N 3.24Å; S4-S6 PolarHBondContact O-N 3.24Å; S6-E8 VanDerWaalsContact C-N 3.34Å; S6-K9 PolarHBondContact O-N 2.75Å; S6-R10 WeakPolarHBondContact O-CB 3.39Å; S6-R10 PolarHBondContact O-N 2.99Å
7	E	56.1	Low	58.7	Low	139 Å²	139	113.2 Å²	113.2	65%	0.65	57%	0.57	S	S	*	*	H	α-helix	trans	-67.8	-34.7	175.4	-66.6	-165.3	123.3	0	0	112.4	H3 S4 R10 S11	H3-E7 PolarHBondContact O-N 3.46Å; S4-E7 PolarHBondContact O-N 3.37Å; E7-R10 PolarHBondContact O-N 2.93Å; E7-S11 VanDerWaalsContact O-CB 3.3Å; E7-S11 WeakPolarHBondContact O-CB 3.4Å; E7-S11 PolarHBondContact O-N 2.84Å; E7-S11 PolarHBondContact O-OG 3.49Å
8	E	55.2	Low	59.6	Low	142 Å²	142	107.1 Å²	107.1	66%	0.664	54%	0.539	S	S	*	.	H	α-helix	trans	-65.9	-43.4	174.7	-171.5	165.7	-139.3	0	0	111.1	S4 S6 S11 Q12	S4-E8 WeakPolarHBondContact O-CB 3.21Å; S4-E8 PolarHBondContact O-N 2.61Å; S6-E8 VanDerWaalsContact C-N 3.34Å; E8-S11 WeakPolarHBondContact O-CB 3.43Å; E8-S11 PolarHBondContact O-N 3.12Å; E8-Q12 WeakPolarHBondContact O-CB 3.36Å; E8-Q12 PolarHBondContact O-N 3.28Å
9	K	64.3	Low	60.6	Low	146 Å²	146	106.9 Å²	106.9	64%	0.635	54%	0.536	S	S	*	.	H	α-helix	trans	-63.4	-41.7	169.7	-79.3	-176	175.7	-173.2	0	113.1	A5 S6 S11 Q12 Y13	A5-K9 WeakPolarHBondContact O-CG 3.25Å; A5-K9 PolarHBondContact O-N 2.91Å; S6-K9 PolarHBondContact O-N 2.75Å; K9-S11 VanDerWaalsContact C-N 3.27Å; K9-S11 PolarHBondContact O-N 2.93Å; K9-Q12 PolarHBondContact O-N 3.25Å; K9-Y13 WeakPolarHBondContact O-CD2 3.28Å; K9-Y13 PolarHBondContact O-N 3.49Å
10	R	51.6	Low	61.4	Low	204 Å²	204	106.7 Å²	106.7	77%	0.77	54%	0.536	S	S	*	.	H	α-helix	trans	-62.8	-36.4	175.3	-175.7	178.9	175.1	117	-0.5	111.6	S6 E7 F14	S6-R10 WeakPolarHBondContact O-CB 3.39Å; S6-R10 PolarHBondContact O-N 2.99Å; E7-R10 PolarHBondContact O-N 2.93Å; R10-F14 PolarHBondContact O-N 3.38Å
11	S	66.7	Low	62	Low	70 Å²	70	104.7 Å²	104.7	49%	0.49	53%	0.527	S	S	.	.	H	α-helix	trans	-69	-42.3	174.4	-58.7	0	0	0	0	111.2	E7 E8 K9 F14 V15	E7-S11 VanDerWaalsContact O-CB 3.3Å; E7-S11 WeakPolarHBondContact O-CB 3.4Å; E7-S11 PolarHBondContact O-N 2.84Å; E7-S11 PolarHBondContact O-OG 3.49Å; E8-S11 WeakPolarHBondContact O-CB 3.43Å; E8-S11 PolarHBondContact O-N 3.12Å; K9-S11 VanDerWaalsContact C-N 3.27Å; K9-S11 PolarHBondContact O-N 2.93Å; S11-F14 WeakPolarHBondContact O-CB 3.15Å; S11-F14 PolarHBondContact O-N 3.12Å; S11-F14 VanDerWaalsContact O-N 3.12Å; S11-V15 WeakPolarHBondContact O-CG2 3.25Å; S11-V15 PolarHBondContact O-N 3.25Å
12	Q	70.5	Confident	63.7	Low	101 Å²	101	98.5 Å²	98.5	47%	0.472	50%	0.496	S	S	.	.	H	α-helix	trans	-60.8	-46.9	174.4	-170.4	62.4	50.6	0	0	111.3	E8 K9 F14 V15 D16	E8-Q12 WeakPolarHBondContact O-CB 3.36Å; E8-Q12 PolarHBondContact O-N 3.28Å; K9-Q12 PolarHBondContact O-N 3.25Å; Q12-F14 PolarHBondContact O-N 2.67Å; Q12-F14 VanDerWaalsContact O-N 3.15Å; Q12-V15 CarbonylContact O-C 3.48Å; Q12-V15 WeakPolarHBondContact O-CA 3.25Å; Q12-V15 WeakPolarHBondContact O-CB 3.07Å; Q12-V15 PolarHBondContact O-N 3.19Å; Q12-D16 PolarHBondContact NE2-OD1 3.33Å; Q12-D16 PolarHBondContact O-N 2.82Å
13	Y	66.2	Low	65.4	Low	168 Å²	168	97.6 Å²	97.6	66%	0.659	48%	0.48	S	S	*	.	H	α-helix	trans	-56.6	-33	174	-77.1	-58.7	0	0	0	113	K9 L17	K9-Y13 WeakPolarHBondContact O-CD2 3.28Å; K9-Y13 PolarHBondContact O-N 3.49Å; Y13-L17 WeakPolarHBondContact O-CB 3.18Å; Y13-L17 PolarHBondContact O-N 3.41Å; Y13-L17 VanDerWaalsContact O-N 3.09Å
14	F	71.2	Confident	66.6	Low	106 Å²	106	94.5 Å²	94.5	47%	0.465	47%	0.469	S	S	.	.	H	α-helix	trans	-73.3	-40	173.5	-152.3	-65.1	0	0	0	111.9	R10 S11 Q12 L17 V18 W50	R10-F14 PolarHBondContact O-N 3.38Å; S11-F14 WeakPolarHBondContact O-CB 3.15Å; S11-F14 PolarHBondContact O-N 3.12Å; S11-F14 VanDerWaalsContact O-N 3.12Å; Q12-F14 PolarHBondContact O-N 2.67Å; Q12-F14 VanDerWaalsContact O-N 3.15Å; F14-L17 PolarHBondContact O-N 2.78Å; F14-V18 HydrophobicContact CD1-CG2 3.66Å; F14-V18 HydrophobicContact CE1-CG2 3.58Å; F14-V18 WeakPolarHBondContact O-CG2 3.45Å; F14-V18 PolarHBondContact O-N 3.31Å; F14-W50 HydrophobicContact CB-CZ2 4.37Å; F14-W50 AromaticContact CD1-CD1 3.54Å; F14-W50 AromaticContact CD1-CD2 3.94Å; F14-W50 HydrophobicContact CD1-CD2 3.94Å; F14-W50 AromaticContact CD1-CE2 3.33Å; F14-W50 HydrophobicContact CD1-CG 4Å; F14-W50 AromaticContact CD1-CZ2 3.72Å; F14-W50 HydrophobicContact CD1-CZ2 3.72Å; F14-W50 AromaticContact CD1-NE1 3.1Å; F14-W50 HydrophobicContact CE1-CB 4.23Å; F14-W50 AromaticContact CE1-CD1 3.15Å; F14-W50 AromaticContact CE1-CD2 3.91Å; F14-W50 HydrophobicContact CE1-CD2 3.91Å; F14-W50 AromaticContact CE1-CE2 3.73Å; F14-W50 AromaticContact CE1-CG 3.51Å; F14-W50 HydrophobicContact CE1-CG 3.51Å; F14-W50 AromaticContact CE1-NE1 3.3Å; F14-W50 VanDerWaalsContact CE1-NE1 3.3Å; F14-W50 HydrophobicContact CG-CZ2 4.39Å; F14-W50 AromaticContact CG-NE1 3.72Å; F14-W50 AromaticContact CZ-CD1 3.67Å; F14-W50 HydrophobicContact CZ-CG 4.3Å
15	V	74.4	Confident	67.6	Low	17 Å²	17	92.4 Å²	92.4	10%	0.103	45%	0.452	C	S	.	.	H	α-helix	trans	-56.4	-52	171.8	179.2	0	0	0	0	110	S11 Q12 L17 V18 E19 W50	S11-V15 WeakPolarHBondContact O-CG2 3.25Å; S11-V15 PolarHBondContact O-N 3.25Å; Q12-V15 CarbonylContact O-C 3.48Å; Q12-V15 WeakPolarHBondContact O-CA 3.25Å; Q12-V15 WeakPolarHBondContact O-CB 3.07Å; Q12-V15 PolarHBondContact O-N 3.19Å; V15-L17 VanDerWaalsContact C-N 3.29Å; V15-L17 PolarHBondContact O-N 3.37Å; V15-V18 PolarHBondContact O-N 2.84Å; V15-V18 VanDerWaalsContact O-N 3.09Å; V15-E19 HydrophobicContact CG1-CG 4.29Å; V15-E19 WeakPolarHBondContact CG1-OE1 3.29Å; V15-E19 WeakPolarHBondContact O-CG 3.23Å; V15-E19 PolarHBondContact O-N 3.38Å; V15-W50 HydrophobicContact CB-CH2 4.24Å; V15-W50 HydrophobicContact CG2-CH2 3.76Å; V15-W50 HydrophobicContact CG2-CZ2 4.07Å
16	D	77.6	Confident	68.4	Low	59 Å²	59	93 Å²	93	32%	0.316	46%	0.457	S	S	.	.	H	α-helix	trans	-58.1	-41.8	179.9	-56.7	-14.1	0	0	0	111	Q12 L20	Q12-D16 PolarHBondContact NE2-OD1 3.33Å; Q12-D16 PolarHBondContact O-N 2.82Å; D16-L20 VanDerWaalsContact O-CB 3.3Å; D16-L20 WeakPolarHBondContact O-CB 3.37Å; D16-L20 WeakPolarHBondContact O-CD1 3.35Å; D16-L20 WeakPolarHBondContact O-CG 3.5Å; D16-L20 PolarHBondContact O-N 3.38Å
17	L	75.9	Confident	68.6	Low	98 Å²	98	96.6 Å²	96.6	51%	0.513	46%	0.458	S	S	.	.	H	α-helix	trans	-66.3	-40.3	176.8	-134.8	171.8	0	0	0	111.9	Y13 F14 V15 L21	Y13-L17 WeakPolarHBondContact O-CB 3.18Å; Y13-L17 PolarHBondContact O-N 3.41Å; Y13-L17 VanDerWaalsContact O-N 3.09Å; F14-L17 PolarHBondContact O-N 2.78Å; V15-L17 VanDerWaalsContact C-N 3.29Å; V15-L17 PolarHBondContact O-N 3.37Å; L17-L21 HydrophobicContact CD2-CD1 3.78Å; L17-L21 HydrophobicContact CD2-CG 4.03Å; L17-L21 WeakPolarHBondContact O-CB 3.26Å; L17-L21 VanDerWaalsContact O-CG 3.24Å; L17-L21 WeakPolarHBondContact O-CG 3.33Å; L17-L21 PolarHBondContact O-N 3.43Å
18	V	75.7	Confident	68.5	Low	4 Å²	4	93.2 Å²	93.2	2%	0.024	45%	0.447	C	S	.	.	H	α-helix	trans	-68.2	-42.5	176.3	167.4	0	0	0	0	111.4	F14 V15 L21 Q22 I47 W50 Y51	F14-V18 HydrophobicContact CD1-CG2 3.66Å; F14-V18 HydrophobicContact CE1-CG2 3.58Å; F14-V18 WeakPolarHBondContact O-CG2 3.45Å; F14-V18 PolarHBondContact O-N 3.31Å; V15-V18 PolarHBondContact O-N 2.84Å; V15-V18 VanDerWaalsContact O-N 3.09Å; V18-L21 PolarHBondContact O-N 3.19Å; V18-Q22 HydrophobicContact CG1-CG 4.41Å; V18-Q22 WeakPolarHBondContact O-CB 3.3Å; V18-Q22 WeakPolarHBondContact O-CG 3.36Å; V18-Q22 PolarHBondContact O-N 2.79Å; V18-I47 HydrophobicContact CG1-CG1 4.36Å; V18-I47 HydrophobicContact CG1-CG2 3.98Å; V18-W50 HydrophobicContact CB-CE3 4.22Å; V18-W50 HydrophobicContact CB-CH2 4.38Å; V18-W50 HydrophobicContact CB-CZ3 4Å; V18-W50 HydrophobicContact CG1-CE3 3.92Å; V18-W50 HydrophobicContact CG1-CZ3 3.78Å; V18-W50 HydrophobicContact CG2-CD2 3.95Å; V18-W50 HydrophobicContact CG2-CE3 3.8Å; V18-W50 HydrophobicContact CG2-CG 4.4Å; V18-W50 HydrophobicContact CG2-CH2 4.38Å; V18-W50 HydrophobicContact CG2-CZ3 4.03Å; V18-Y51 HydrophobicContact CG1-CE2 3.81Å
19	E	78.1	Confident	68.3	Low	103 Å²	103	93.2 Å²	93.2	48%	0.481	45%	0.447	S	S	.	.	H	α-helix	trans	-64.3	-42.3	175.8	-72.3	-177.7	-170.8	0	0	111.1	V15 L21 Q22 E23	V15-E19 HydrophobicContact CG1-CG 4.29Å; V15-E19 WeakPolarHBondContact CG1-OE1 3.29Å; V15-E19 WeakPolarHBondContact O-CG 3.23Å; V15-E19 PolarHBondContact O-N 3.38Å; E19-L21 PolarHBondContact O-N 3Å; E19-Q22 PolarHBondContact O-N 3.28Å; E19-E23 WeakPolarHBondContact O-CB 3.44Å; E19-E23 PolarHBondContact O-N 3.29Å
20	L	76.5	Confident	67.5	Low	103 Å²	103	91.8 Å²	91.8	54%	0.539	45%	0.451	S	S	.	.	H	α-helix	trans	-62.3	-39.4	172.8	-74.6	168.5	0	0	0	112.7	D16 N24	D16-L20 VanDerWaalsContact O-CB 3.3Å; D16-L20 WeakPolarHBondContact O-CB 3.37Å; D16-L20 WeakPolarHBondContact O-CD1 3.35Å; D16-L20 WeakPolarHBondContact O-CG 3.5Å; D16-L20 PolarHBondContact O-N 3.38Å; L20-N24 PolarHBondContact O-N 2.81Å; L20-N24 VanDerWaalsContact O-N 3.1Å; L20-N24 PolarHBondContact O-ND2 3.44Å
21	L	75	Confident	66.9	Low	65 Å²	65	85.8 Å²	85.8	34%	0.34	44%	0.44	S	S	.	.	H	α-helix	trans	-68.6	-41.1	174.7	-72.8	168	0	0	0	111.6	L17 V18 E19 N24 L25 V43 I47	L17-L21 HydrophobicContact CD2-CD1 3.78Å; L17-L21 HydrophobicContact CD2-CG 4.03Å; L17-L21 WeakPolarHBondContact O-CB 3.26Å; L17-L21 VanDerWaalsContact O-CG 3.24Å; L17-L21 WeakPolarHBondContact O-CG 3.33Å; L17-L21 PolarHBondContact O-N 3.43Å; V18-L21 PolarHBondContact O-N 3.19Å; E19-L21 PolarHBondContact O-N 3Å; L21-N24 PolarHBondContact O-N 3.31Å; L21-L25 PolarHBondContact O-N 2.99Å; L21-V43 HydrophobicContact CB-CG1 4.38Å; L21-V43 HydrophobicContact CD2-CG1 4.35Å; L21-I47 HydrophobicContact CB-CD1 3.94Å
22	Q	74.9	Confident	65.6	Low	75 Å²	75	91.8 Å²	91.8	35%	0.35	46%	0.46	S	S	.	.	H	α-helix	trans	-62.6	-41.9	174.5	-75.9	-174.4	-50.6	0	0	111.8	V18 E19 L25 A26 I47 Y51	V18-Q22 HydrophobicContact CG1-CG 4.41Å; V18-Q22 WeakPolarHBondContact O-CB 3.3Å; V18-Q22 WeakPolarHBondContact O-CG 3.36Å; V18-Q22 PolarHBondContact O-N 2.79Å; E19-Q22 PolarHBondContact O-N 3.28Å; Q22-L25 PolarHBondContact O-N 3.48Å; Q22-A26 VanDerWaalsContact O-CB 3.28Å; Q22-A26 WeakPolarHBondContact O-CB 3.14Å; Q22-A26 PolarHBondContact O-N 3.02Å; Q22-I47 HydrophobicContact CG-CD1 4.01Å; Q22-I47 HydrophobicContact CG-CG2 4.03Å; Q22-Y51 PolarHBondContact OE1-OH 2.83Å
23	E	74.2	Confident	64.2	Low	95 Å²	95	94.6 Å²	94.6	44%	0.444	48%	0.477	S	S	.	.	H	α-helix	trans	-60.5	-45.2	174.1	-86.7	-150.1	-142.4	0	0	112.1	E19 A26 R27	E19-E23 WeakPolarHBondContact O-CB 3.44Å; E19-E23 PolarHBondContact O-N 3.29Å; E23-A26 PolarHBondContact O-N 3.08Å; E23-R27 VanDerWaalsContact O-CB 3.31Å; E23-R27 WeakPolarHBondContact O-CB 3.4Å; E23-R27 VanDerWaalsContact O-CD 3.27Å; E23-R27 WeakPolarHBondContact O-CD 3.48Å; E23-R27 WeakPolarHBondContact O-CG 3.28Å; E23-R27 PolarHBondContact O-N 3.4Å; E23-R27 IonicContact OE2-CZ 2.66Å; E23-R27 VanDerWaalsContact OE2-CZ 3.3Å; E23-R27 IonicContact OE2-NE 2.62Å; E23-R27 PolarHBondContact OE2-NE 2.64Å; E23-R27 VanDerWaalsContact OE2-NE 3.14Å; E23-R27 IonicContact OE2-NH2 2.68Å; E23-R27 PolarHBondContact OE2-NH2 3.25Å
24	N	66.1	Low	62.6	Low	94 Å²	94	94 Å²	94	50%	0.503	49%	0.491	S	S	.	.	H	α-helix	trans	-66.5	-38.4	179.2	-80	-73.8	0	0	0	112.2	L20 L21 T28	L20-N24 PolarHBondContact O-N 2.81Å; L20-N24 VanDerWaalsContact O-N 3.1Å; L20-N24 PolarHBondContact O-ND2 3.44Å; L21-N24 PolarHBondContact O-N 3.31Å; N24-T28 PolarHBondContact O-N 3.14Å; N24-T28 PolarHBondContact O-OG1 2.93Å
25	L	67.4	Low	61.3	Low	24 Å²	24	92.9 Å²	92.9	13%	0.126	50%	0.502	C	S	.	.	H	α-helix	trans	-63.1	-53	172.2	-95.4	51.5	0	0	0	111.5	L21 Q22 R27 T28 E29 Q40 V43 Q44 I47	L21-L25 PolarHBondContact O-N 2.99Å; Q22-L25 PolarHBondContact O-N 3.48Å; L25-R27 VanDerWaalsContact C-N 3.32Å; L25-R27 PolarHBondContact O-N 3.22Å; L25-T28 WeakPolarHBondContact O-CB 3.32Å; L25-T28 PolarHBondContact O-N 3.47Å; L25-E29 PolarHBondContact O-N 3.45Å; L25-Q40 HydrophobicContact CD1-CG 4.32Å; L25-Q40 HydrophobicContact CG-CG 4.47Å; L25-V43 HydrophobicContact CD1-CG1 3.87Å; L25-V43 HydrophobicContact CD2-CB 4.43Å; L25-V43 HydrophobicContact CD2-CG1 3.82Å; L25-Q44 HydrophobicContact CD2-CG 3.51Å; L25-I47 HydrophobicContact CD2-CD1 4.08Å
26	A	66.1	Low	59.9	Low	59 Å²	59	98.5 Å²	98.5	49%	0.488	53%	0.527	S	S	.	.	H	α-helix	trans	-63	-35.5	-177.8	0	0	0	0	0	113	Q22 E23 T28 E29	Q22-A26 VanDerWaalsContact O-CB 3.28Å; Q22-A26 WeakPolarHBondContact O-CB 3.14Å; Q22-A26 PolarHBondContact O-N 3.02Å; E23-A26 PolarHBondContact O-N 3.08Å; A26-T28 VanDerWaalsContact C-N 3.29Å; A26-T28 PolarHBondContact O-N 2.86Å; A26-E29 PolarHBondContact O-N 3.36Å
27	R	57.4	Low	58.3	Low	157 Å²	157	98.2 Å²	98.2	59%	0.592	53%	0.529	S	S	*	.	H	α-helix	trans	-61.4	-37.8	171.8	-72.7	162.3	-175	-120.3	7.3	111.5	E23 L25 E29 T30	E23-R27 VanDerWaalsContact O-CB 3.31Å; E23-R27 WeakPolarHBondContact O-CB 3.4Å; E23-R27 VanDerWaalsContact O-CD 3.27Å; E23-R27 WeakPolarHBondContact O-CD 3.48Å; E23-R27 WeakPolarHBondContact O-CG 3.28Å; E23-R27 PolarHBondContact O-N 3.4Å; E23-R27 IonicContact OE2-CZ 2.66Å; E23-R27 VanDerWaalsContact OE2-CZ 3.3Å; E23-R27 IonicContact OE2-NE 2.62Å; E23-R27 PolarHBondContact OE2-NE 2.64Å; E23-R27 VanDerWaalsContact OE2-NE 3.14Å; E23-R27 IonicContact OE2-NH2 2.68Å; E23-R27 PolarHBondContact OE2-NH2 3.25Å; L25-R27 VanDerWaalsContact C-N 3.32Å; L25-R27 PolarHBondContact O-N 3.22Å; R27-E29 PolarHBondContact O-N 2.95Å; R27-T30 PolarHBondContact O-N 3.49Å; R27-T30 PolarHBondContact O-OG1 2.9Å
28	T	53.8	Low	56.9	Low	68 Å²	68	98.9 Å²	98.9	42%	0.417	54%	0.54	S	S	.	.	H	α-helix	trans	-69.5	-30.9	-177.7	-49.1	0	0	0	0	113	N24 L25 A26 T30 S31	N24-T28 PolarHBondContact O-N 3.14Å; N24-T28 PolarHBondContact O-OG1 2.93Å; L25-T28 WeakPolarHBondContact O-CB 3.32Å; L25-T28 PolarHBondContact O-N 3.47Å; A26-T28 VanDerWaalsContact C-N 3.29Å; A26-T28 PolarHBondContact O-N 2.86Å; T28-T30 PolarHBondContact O-N 3.41Å; T28-T30 VanDerWaalsContact O-N 3.13Å; T28-S31 PolarHBondContact O-N 3.47Å; T28-S31 PolarHBondContact O-OG 2.69Å; T28-S31 VanDerWaalsContact O-OG 3.07Å
29	E	50.5	Low	55.8	Low	141 Å²	141	103.8 Å²	103.8	66%	0.659	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-7.9	178.8	-64.3	-171.7	174.8	0	0	114	L25 A26 R27	L25-E29 PolarHBondContact O-N 3.45Å; A26-E29 PolarHBondContact O-N 3.36Å; R27-E29 PolarHBondContact O-N 2.95Å
30	T	47.3	Very low	54.6	Low	117 Å²	117	100.4 Å²	100.4	72%	0.718	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-3	179.8	67.4	0	0	0	0	115	R27 T28	R27-T30 PolarHBondContact O-N 3.49Å; R27-T30 PolarHBondContact O-OG1 2.9Å; T28-T30 PolarHBondContact O-N 3.41Å; T28-T30 VanDerWaalsContact O-N 3.13Å
31	S	38.7	Very low	53.9	Low	77 Å²	77	100.9 Å²	100.9	54%	0.538	55%	0.549	S	S	.	.	S	Bend	trans	-113.3	119.7	-179.8	40.2	0	0	0	0	112.6	T28 L33	T28-S31 PolarHBondContact O-N 3.47Å; T28-S31 PolarHBondContact O-OG 2.69Å; T28-S31 VanDerWaalsContact O-OG 3.07Å; S31-L33 VanDerWaalsContact C-N 3.29Å; S31-L33 PolarHBondContact O-N 3.41Å
32	H	40.4	Very low	53.3	Low	196 Å²	196	102.1 Å²	102.1	91%	0.907	56%	0.556	S	S	*	*			trans	-73.6	61.1	-171.3	-67	-84	0	0	0	115.2
33	L	40	Very low	52.8	Low	160 Å²	160	99.9 Å²	99.9	84%	0.838	55%	0.547	S	S	*	.			trans	-128.8	123.3	168.3	-71.1	175.1	0	0	0	110.7	S31 A35	S31-L33 VanDerWaalsContact C-N 3.29Å; S31-L33 PolarHBondContact O-N 3.41Å; L33-A35 VanDerWaalsContact C-N 3.34Å; L33-A35 PolarHBondContact O-N 3.11Å
34	T	34.1	Very low	52.6	Low	155 Å²	155	98.9 Å²	98.9	95%	0.951	54%	0.543	S	S	*	.			trans	-80.6	75.6	-170.8	51.7	0	0	0	0	112.4
35	A	42.4	Very low	52.8	Low	84 Å²	84	98.3 Å²	98.3	69%	0.694	54%	0.537	S	S	*	.			trans	-147.4	89.3	166.6	0	0	0	0	0	109.8	L33 S37	L33-A35 VanDerWaalsContact C-N 3.34Å; L33-A35 PolarHBondContact O-N 3.11Å; A35-S37 PolarHBondContact O-N 3.5Å
36	Q	45.4	Very low	53	Low	135 Å²	135	101.9 Å²	101.9	63%	0.631	55%	0.554	S	S	*	*			trans	-59.2	124.8	156.2	-81.1	-175.7	-53.5	0	0	106.9
37	S	45.5	Very low	53.4	Low	52 Å²	52	99.7 Å²	99.7	36%	0.364	53%	0.534	S	S	.	.			trans	-65.2	145.6	170.7	69.6	0	0	0	0	108.8	A35 N39 Q40	A35-S37 PolarHBondContact O-N 3.5Å; S37-N39 PolarHBondContact O-N 2.79Å; S37-Q40 WeakPolarHBondContact O-CB 3.1Å; S37-Q40 PolarHBondContact O-N 2.73Å; S37-Q40 WeakPolarHBondContact OG-CG 3.41Å; S37-Q40 PolarHBondContact OG-N 3.21Å
38	P	46.2	Very low	54.3	Low	113 Å²	113	95 Å²	95	73%	0.734	53%	0.526	S	S	*	.	H	α-helix	trans	-56.5	-30.4	179.1	21.9	-32.9	0	0	0	111.9
39	N	50.7	Low	55.2	Low	107 Å²	107	96.7 Å²	96.7	57%	0.572	53%	0.529	S	S	*	.	H	α-helix	trans	-77.3	-17.5	178.4	-60.9	-1.1	0	0	0	113.3	S37 L42 V43	S37-N39 PolarHBondContact O-N 2.79Å; N39-L42 PolarHBondContact O-N 3.3Å; N39-V43 WeakPolarHBondContact O-CB 3.5Å; N39-V43 VanDerWaalsContact O-CG2 3.27Å; N39-V43 WeakPolarHBondContact O-CG2 3.48Å; N39-V43 PolarHBondContact O-N 2.83Å
40	Q	53.4	Low	56.3	Low	31 Å²	31	91.8 Å²	91.8	15%	0.145	50%	0.504	C	S	.	.	H	α-helix	trans	-67.9	-38.6	174	-91.5	167.1	-27.2	0	0	111.9	L25 S37 V43 Q44	L25-Q40 HydrophobicContact CD1-CG 4.32Å; L25-Q40 HydrophobicContact CG-CG 4.47Å; S37-Q40 WeakPolarHBondContact O-CB 3.1Å; S37-Q40 PolarHBondContact O-N 2.73Å; S37-Q40 WeakPolarHBondContact OG-CG 3.41Å; S37-Q40 PolarHBondContact OG-N 3.21Å; Q40-V43 PolarHBondContact O-N 2.91Å; Q40-Q44 WeakPolarHBondContact O-CB 3.32Å; Q40-Q44 WeakPolarHBondContact O-CG 3.42Å; Q40-Q44 PolarHBondContact O-N 3.25Å
41	H	61.4	Low	57.6	Low	114 Å²	114	90 Å²	90	53%	0.528	49%	0.485	S	S	.	.	H	α-helix	trans	-63	-46	171.7	-172.1	-71.3	0	0	0	110.1	V43 Q44 E45	H41-V43 VanDerWaalsContact C-N 3.3Å; H41-V43 PolarHBondContact O-N 3.45Å; H41-Q44 PolarHBondContact O-N 3.33Å; H41-E45 IonicContact CE1-OE2 2.7Å; H41-E45 PolarHBondContact CE1-OE2 3.12Å; H41-E45 VanDerWaalsContact CE1-OE2 3.32Å; H41-E45 IonicContact ND1-OE2 2.82Å; H41-E45 PolarHBondContact ND1-OE2 2.92Å; H41-E45 WeakPolarHBondContact O-CB 3.3Å; H41-E45 PolarHBondContact O-N 2.72Å
42	L	62.6	Low	59.2	Low	91 Å²	91	90.4 Å²	90.4	48%	0.476	48%	0.478	S	S	.	.	H	α-helix	trans	-59.4	-39.2	177.4	-169.6	69.3	0	0	0	112.3	N39 E45 M46	N39-L42 PolarHBondContact O-N 3.3Å; L42-E45 PolarHBondContact O-N 3.26Å; L42-M46 HydrophobicContact CG-CE 4.21Å; L42-M46 WeakPolarHBondContact O-CB 3.46Å; L42-M46 VanDerWaalsContact O-CG 3.29Å; L42-M46 WeakPolarHBondContact O-CG 3.24Å; L42-M46 PolarHBondContact O-N 2.99Å
43	V	64.8	Low	60.5	Low	28 Å²	28	83.9 Å²	83.9	17%	0.17	45%	0.45	C	S	.	.	H	α-helix	trans	-72.2	-42.9	176.2	171.8	0	0	0	0	111.7	L21 L25 N39 Q40 H41 E45 M46 I47	L21-V43 HydrophobicContact CB-CG1 4.38Å; L21-V43 HydrophobicContact CD2-CG1 4.35Å; L25-V43 HydrophobicContact CD1-CG1 3.87Å; L25-V43 HydrophobicContact CD2-CB 4.43Å; L25-V43 HydrophobicContact CD2-CG1 3.82Å; N39-V43 WeakPolarHBondContact O-CB 3.5Å; N39-V43 VanDerWaalsContact O-CG2 3.27Å; N39-V43 WeakPolarHBondContact O-CG2 3.48Å; N39-V43 PolarHBondContact O-N 2.83Å; Q40-V43 PolarHBondContact O-N 2.91Å; H41-V43 VanDerWaalsContact C-N 3.3Å; H41-V43 PolarHBondContact O-N 3.45Å; V43-E45 PolarHBondContact O-N 2.78Å; V43-M46 HydrophobicContact CB-CE 4.47Å; V43-M46 HydrophobicContact CG2-CE 3.87Å; V43-M46 PolarHBondContact O-N 3.44Å; V43-I47 HydrophobicContact CG1-CD1 3.69Å; V43-I47 HydrophobicContact CG1-CG1 4.41Å; V43-I47 WeakPolarHBondContact O-CB 3.38Å; V43-I47 WeakPolarHBondContact O-CD1 3.47Å; V43-I47 WeakPolarHBondContact O-CG1 3.27Å; V43-I47 PolarHBondContact O-N 3.39Å
44	Q	69.6	Low	61.8	Low	74 Å²	74	79.6 Å²	79.6	35%	0.346	43%	0.425	S	S	.	.	H	α-helix	trans	-58.7	-38.9	171.8	-76.5	-177.8	-12.3	0	0	111.5	L25 Q40 H41 S48	L25-Q44 HydrophobicContact CD2-CG 3.51Å; Q40-Q44 WeakPolarHBondContact O-CB 3.32Å; Q40-Q44 WeakPolarHBondContact O-CG 3.42Å; Q40-Q44 PolarHBondContact O-N 3.25Å; H41-Q44 PolarHBondContact O-N 3.33Å; Q44-S48 VanDerWaalsContact O-CB 3.27Å; Q44-S48 WeakPolarHBondContact O-CB 3.33Å; Q44-S48 PolarHBondContact O-N 2.89Å
45	E	71.2	Confident	63.4	Low	81 Å²	81	77.3 Å²	77.3	38%	0.379	41%	0.407	S	S	.	.	H	α-helix	trans	-71.3	-45.9	178.6	-173.7	167.5	-176.5	0	0	112.1	H41 L42 V43 I47 S48 Q49	H41-E45 IonicContact CE1-OE2 2.7Å; H41-E45 PolarHBondContact CE1-OE2 3.12Å; H41-E45 VanDerWaalsContact CE1-OE2 3.32Å; H41-E45 IonicContact ND1-OE2 2.82Å; H41-E45 PolarHBondContact ND1-OE2 2.92Å; H41-E45 WeakPolarHBondContact O-CB 3.3Å; H41-E45 PolarHBondContact O-N 2.72Å; L42-E45 PolarHBondContact O-N 3.26Å; V43-E45 PolarHBondContact O-N 2.78Å; E45-I47 VanDerWaalsContact C-N 3.31Å; E45-I47 PolarHBondContact O-N 3.18Å; E45-S48 PolarHBondContact O-N 2.77Å; E45-Q49 HydrophobicContact CG-CG 4.45Å; E45-Q49 WeakPolarHBondContact O-CB 3.27Å; E45-Q49 VanDerWaalsContact O-CG 3.27Å; E45-Q49 WeakPolarHBondContact O-CG 3.19Å; E45-Q49 PolarHBondContact O-N 2.89Å
46	M	71.1	Confident	64.2	Low	99 Å²	99	80.1 Å²	80.1	49%	0.488	40%	0.399	S	S	.	.	H	α-helix	trans	-60.5	-38.9	172.7	-75.1	-174.3	-62.5	0	0	112.3	L42 V43 W50	L42-M46 HydrophobicContact CG-CE 4.21Å; L42-M46 WeakPolarHBondContact O-CB 3.46Å; L42-M46 VanDerWaalsContact O-CG 3.29Å; L42-M46 WeakPolarHBondContact O-CG 3.24Å; L42-M46 PolarHBondContact O-N 2.99Å; V43-M46 HydrophobicContact CB-CE 4.47Å; V43-M46 HydrophobicContact CG2-CE 3.87Å; V43-M46 PolarHBondContact O-N 3.44Å; M46-W50 WeakPolarHBondContact O-CB 3.43Å; M46-W50 PolarHBondContact O-N 3.23Å
47	I	75.3	Confident	64.6	Low	13 Å²	13	79.8 Å²	79.8	7%	0.067	40%	0.396	C	S	.	.	H	α-helix	trans	-64.6	-48.2	174.4	-70.8	164.8	0	0	0	110.3	V18 L21 Q22 L25 V43 E45 W50 Y51	V18-I47 HydrophobicContact CG1-CG1 4.36Å; V18-I47 HydrophobicContact CG1-CG2 3.98Å; L21-I47 HydrophobicContact CB-CD1 3.94Å; Q22-I47 HydrophobicContact CG-CD1 4.01Å; Q22-I47 HydrophobicContact CG-CG2 4.03Å; L25-I47 HydrophobicContact CD2-CD1 4.08Å; V43-I47 HydrophobicContact CG1-CD1 3.69Å; V43-I47 HydrophobicContact CG1-CG1 4.41Å; V43-I47 WeakPolarHBondContact O-CB 3.38Å; V43-I47 WeakPolarHBondContact O-CD1 3.47Å; V43-I47 WeakPolarHBondContact O-CG1 3.27Å; V43-I47 PolarHBondContact O-N 3.39Å; E45-I47 VanDerWaalsContact C-N 3.31Å; E45-I47 PolarHBondContact O-N 3.18Å; I47-W50 PolarHBondContact O-N 2.9Å; I47-Y51 HydrophobicContact CG2-CD2 3.84Å; I47-Y51 HydrophobicContact CG2-CE2 3.65Å; I47-Y51 VanDerWaalsContact O-CD2 3.24Å; I47-Y51 WeakPolarHBondContact O-CD2 3.45Å; I47-Y51 PolarHBondContact O-N 3.32Å
48	S	75.9	Confident	64.7	Low	60 Å²	60	82.3 Å²	82.3	42%	0.42	41%	0.405	S	S	.	.	H	α-helix	trans	-61.9	-43.9	178	-179.1	0	0	0	0	112.3	Q44 E45 W50 Y51 Q52	Q44-S48 VanDerWaalsContact O-CB 3.27Å; Q44-S48 WeakPolarHBondContact O-CB 3.33Å; Q44-S48 PolarHBondContact O-N 2.89Å; E45-S48 PolarHBondContact O-N 2.77Å; S48-W50 VanDerWaalsContact C-N 3.34Å; S48-Y51 PolarHBondContact O-N 3.3Å; S48-Q52 WeakPolarHBondContact O-CG 3.47Å; S48-Q52 PolarHBondContact O-N 3.29Å; S48-Q52 VanDerWaalsContact O-N 3.08Å; S48-Q52 PolarHBondContact O-NE2 3.39Å; S48-Q52 PolarHBondContact OG-NE2 3.5Å
49	Q	73.2	Confident	64.7	Low	102 Å²	102	79.5 Å²	79.5	48%	0.477	39%	0.388	S	S	.	.	H	α-helix	trans	-60.6	-42.7	172.9	-73.8	179.5	13	0	0	110.8	E45 Q52 D53	E45-Q49 HydrophobicContact CG-CG 4.45Å; E45-Q49 WeakPolarHBondContact O-CB 3.27Å; E45-Q49 VanDerWaalsContact O-CG 3.27Å; E45-Q49 WeakPolarHBondContact O-CG 3.19Å; E45-Q49 PolarHBondContact O-N 2.89Å; Q49-Q52 WeakPolarHBondContact O-CB 3.21Å; Q49-Q52 PolarHBondContact O-N 2.91Å; Q49-D53 WeakPolarHBondContact O-CB 3.47Å; Q49-D53 PolarHBondContact O-N 2.98Å
50	W	73.9	Confident	64.3	Low	39 Å²	39	76.5 Å²	76.5	15%	0.148	38%	0.378	C	S	.	.	H	α-helix	trans	-64.1	-41.2	177.4	178	80	0	0	0	113.4	F14 V15 V18 M46 I47 S48 D53 K54	F14-W50 HydrophobicContact CB-CZ2 4.37Å; F14-W50 AromaticContact CD1-CD1 3.54Å; F14-W50 AromaticContact CD1-CD2 3.94Å; F14-W50 HydrophobicContact CD1-CD2 3.94Å; F14-W50 AromaticContact CD1-CE2 3.33Å; F14-W50 HydrophobicContact CD1-CG 4Å; F14-W50 AromaticContact CD1-CZ2 3.72Å; F14-W50 HydrophobicContact CD1-CZ2 3.72Å; F14-W50 AromaticContact CD1-NE1 3.1Å; F14-W50 HydrophobicContact CE1-CB 4.23Å; F14-W50 AromaticContact CE1-CD1 3.15Å; F14-W50 AromaticContact CE1-CD2 3.91Å; F14-W50 HydrophobicContact CE1-CD2 3.91Å; F14-W50 AromaticContact CE1-CE2 3.73Å; F14-W50 AromaticContact CE1-CG 3.51Å; F14-W50 HydrophobicContact CE1-CG 3.51Å; F14-W50 AromaticContact CE1-NE1 3.3Å; F14-W50 VanDerWaalsContact CE1-NE1 3.3Å; F14-W50 HydrophobicContact CG-CZ2 4.39Å; F14-W50 AromaticContact CG-NE1 3.72Å; F14-W50 AromaticContact CZ-CD1 3.67Å; F14-W50 HydrophobicContact CZ-CG 4.3Å; V15-W50 HydrophobicContact CB-CH2 4.24Å; V15-W50 HydrophobicContact CG2-CH2 3.76Å; V15-W50 HydrophobicContact CG2-CZ2 4.07Å; V18-W50 HydrophobicContact CB-CE3 4.22Å; V18-W50 HydrophobicContact CB-CH2 4.38Å; V18-W50 HydrophobicContact CB-CZ3 4Å; V18-W50 HydrophobicContact CG1-CE3 3.92Å; V18-W50 HydrophobicContact CG1-CZ3 3.78Å; V18-W50 HydrophobicContact CG2-CD2 3.95Å; V18-W50 HydrophobicContact CG2-CE3 3.8Å; V18-W50 HydrophobicContact CG2-CG 4.4Å; V18-W50 HydrophobicContact CG2-CH2 4.38Å; V18-W50 HydrophobicContact CG2-CZ3 4.03Å; M46-W50 WeakPolarHBondContact O-CB 3.43Å; M46-W50 PolarHBondContact O-N 3.23Å; I47-W50 PolarHBondContact O-N 2.9Å; S48-W50 VanDerWaalsContact C-N 3.34Å; W50-D53 PolarHBondContact O-N 2.93Å; W50-K54 HydrophobicContact CE3-CD 4.48Å; W50-K54 HydrophobicContact CH2-CD 3.74Å; W50-K54 HydrophobicContact CZ2-CD 3.86Å; W50-K54 HydrophobicContact CZ3-CD 4.03Å; W50-K54 VanDerWaalsContact O-CB 3.25Å; W50-K54 WeakPolarHBondContact O-CB 3.47Å; W50-K54 PolarHBondContact O-N 2.94Å
51	Y	74	Confident	63.7	Low	78 Å²	78	78.3 Å²	78.3	31%	0.306	39%	0.388	S	S	.	.	H	α-helix	trans	-61.3	-45.2	173.8	-80.5	-74.3	0	0	0	111.1	V18 Q22 I47 S48 D53 K54 D55	V18-Y51 HydrophobicContact CG1-CE2 3.81Å; Q22-Y51 PolarHBondContact OE1-OH 2.83Å; I47-Y51 HydrophobicContact CG2-CD2 3.84Å; I47-Y51 HydrophobicContact CG2-CE2 3.65Å; I47-Y51 VanDerWaalsContact O-CD2 3.24Å; I47-Y51 WeakPolarHBondContact O-CD2 3.45Å; I47-Y51 PolarHBondContact O-N 3.32Å; S48-Y51 PolarHBondContact O-N 3.3Å; Y51-D53 VanDerWaalsContact C-N 3.33Å; Y51-D53 PolarHBondContact O-N 3.11Å; Y51-K54 PolarHBondContact O-N 3.21Å; Y51-D55 PolarHBondContact O-N 3.38Å
52	Q	73	Confident	62.8	Low	87 Å²	87	77.2 Å²	77.2	41%	0.407	38%	0.383	S	S	.	.	H	α-helix	trans	-60	-40.6	174	-68	171.1	54.7	0	0	112.6	S48 Q49 D55 R56	S48-Q52 WeakPolarHBondContact O-CG 3.47Å; S48-Q52 PolarHBondContact O-N 3.29Å; S48-Q52 VanDerWaalsContact O-N 3.08Å; S48-Q52 PolarHBondContact O-NE2 3.39Å; S48-Q52 PolarHBondContact OG-NE2 3.5Å; Q49-Q52 WeakPolarHBondContact O-CB 3.21Å; Q49-Q52 PolarHBondContact O-N 2.91Å; Q52-D55 PolarHBondContact O-N 3.04Å; Q52-R56 WeakPolarHBondContact O-CB 3.39Å; Q52-R56 VanDerWaalsContact O-CG 3.26Å; Q52-R56 WeakPolarHBondContact O-CG 3.22Å; Q52-R56 PolarHBondContact O-N 2.79Å
53	D	65.9	Low	61.6	Low	58 Å²	58	79.2 Å²	79.2	31%	0.31	39%	0.39	S	S	.	.	H	α-helix	trans	-73.5	-30.8	179.5	-109.2	35.7	0	0	0	112.9	Q49 W50 Y51 R56 K57	Q49-D53 WeakPolarHBondContact O-CB 3.47Å; Q49-D53 PolarHBondContact O-N 2.98Å; W50-D53 PolarHBondContact O-N 2.93Å; Y51-D53 VanDerWaalsContact C-N 3.33Å; Y51-D53 PolarHBondContact O-N 3.11Å; D53-R56 IonicContact OD1-NH1 3.43Å; D53-K57 VanDerWaalsContact O-CB 3.25Å; D53-K57 WeakPolarHBondContact O-CB 3.31Å; D53-K57 VanDerWaalsContact O-CD 3.29Å; D53-K57 WeakPolarHBondContact O-CD 3.5Å; D53-K57 WeakPolarHBondContact O-CG 3.41Å; D53-K57 PolarHBondContact O-N 3.39Å; D53-K57 VanDerWaalsContact OD2-CE 3.23Å; D53-K57 WeakPolarHBondContact OD2-CE 3.38Å; D53-K57 IonicContact OD2-NZ 3.59Å; D53-K57 PolarHBondContact OD2-NZ 3.44Å
54	K	68.5	Low	60.3	Low	71 Å²	71	84.4 Å²	84.4	31%	0.309	41%	0.412	S	S	.	.	H	α-helix	trans	-66.4	-44	172.2	-174.1	177.5	-176.2	177.8	0	110.5	W50 Y51 K57 N58	W50-K54 HydrophobicContact CE3-CD 4.48Å; W50-K54 HydrophobicContact CH2-CD 3.74Å; W50-K54 HydrophobicContact CZ2-CD 3.86Å; W50-K54 HydrophobicContact CZ3-CD 4.03Å; W50-K54 VanDerWaalsContact O-CB 3.25Å; W50-K54 WeakPolarHBondContact O-CB 3.47Å; W50-K54 PolarHBondContact O-N 2.94Å; Y51-K54 PolarHBondContact O-N 3.21Å; K54-K57 PolarHBondContact O-N 2.76Å; K54-N58 WeakPolarHBondContact O-CB 3.13Å; K54-N58 PolarHBondContact O-N 2.79Å; K54-N58 PolarHBondContact O-ND2 3.13Å
55	D	67.5	Low	58.6	Low	107 Å²	107	87.5 Å²	87.5	57%	0.572	43%	0.431	S	S	*	.	H	α-helix	trans	-68.3	-36.6	175.9	-68.9	-19.3	0	0	0	112.1	Y51 Q52 S59	Y51-D55 PolarHBondContact O-N 3.38Å; Q52-D55 PolarHBondContact O-N 3.04Å; D55-S59 PolarHBondContact O-N 2.73Å; D55-S59 PolarHBondContact O-OG 3.01Å
56	R	58.6	Low	57	Low	142 Å²	142	90.5 Å²	90.5	54%	0.536	45%	0.454	S	S	.	.	H	α-helix	trans	-64.7	-44.8	170.4	-75.3	171.5	-179.7	139.6	5	112.8	Q52 D53 N58 S59 A60	Q52-R56 WeakPolarHBondContact O-CB 3.39Å; Q52-R56 VanDerWaalsContact O-CG 3.26Å; Q52-R56 WeakPolarHBondContact O-CG 3.22Å; Q52-R56 PolarHBondContact O-N 2.79Å; D53-R56 IonicContact OD1-NH1 3.43Å; R56-N58 VanDerWaalsContact C-N 3.34Å; R56-N58 PolarHBondContact O-N 3.23Å; R56-S59 WeakPolarHBondContact CA-OG 3.22Å; R56-S59 PolarHBondContact O-N 2.95Å; R56-S59 VanDerWaalsContact O-N 3.12Å; R56-S59 PolarHBondContact O-OG 3.16Å; R56-A60 WeakPolarHBondContact O-CB 3.31Å; R56-A60 PolarHBondContact O-N 3.48Å
57	K	53.5	Low	55.2	Low	129 Å²	129	90.3 Å²	90.3	56%	0.561	46%	0.463	S	S	*	.	H	α-helix	trans	-71.5	-29.6	-178.7	-72.1	160.9	-164.6	165.7	0	112.2	D53 K54 S59	D53-K57 VanDerWaalsContact O-CB 3.25Å; D53-K57 WeakPolarHBondContact O-CB 3.31Å; D53-K57 VanDerWaalsContact O-CD 3.29Å; D53-K57 WeakPolarHBondContact O-CD 3.5Å; D53-K57 WeakPolarHBondContact O-CG 3.41Å; D53-K57 PolarHBondContact O-N 3.39Å; D53-K57 VanDerWaalsContact OD2-CE 3.23Å; D53-K57 WeakPolarHBondContact OD2-CE 3.38Å; D53-K57 IonicContact OD2-NZ 3.59Å; D53-K57 PolarHBondContact OD2-NZ 3.44Å; K54-K57 PolarHBondContact O-N 2.76Å; K57-S59 VanDerWaalsContact C-N 3.3Å; K57-S59 PolarHBondContact O-N 2.91Å
58	N	49.5	Very low	53.1	Low	105 Å²	105	95.1 Å²	95.1	56%	0.561	50%	0.498	S	S	*	.	H	α-helix	trans	-70.8	-20	169.5	-78.4	-22.1	0	0	0	113.9	K54 R56	K54-N58 WeakPolarHBondContact O-CB 3.13Å; K54-N58 PolarHBondContact O-N 2.79Å; K54-N58 PolarHBondContact O-ND2 3.13Å; R56-N58 VanDerWaalsContact C-N 3.34Å; R56-N58 PolarHBondContact O-N 3.23Å
59	S	45.4	Very low	51.1	Low	54 Å²	54	98.6 Å²	98.6	38%	0.378	52%	0.517	S	S	.	.	H	α-helix	trans	-101.5	-35.3	-179	45.3	0	0	0	0	114.1	D55 R56 K57 I61 S557 N558	D55-S59 PolarHBondContact O-N 2.73Å; D55-S59 PolarHBondContact O-OG 3.01Å; R56-S59 WeakPolarHBondContact CA-OG 3.22Å; R56-S59 PolarHBondContact O-N 2.95Å; R56-S59 VanDerWaalsContact O-N 3.12Å; R56-S59 PolarHBondContact O-OG 3.16Å; K57-S59 VanDerWaalsContact C-N 3.3Å; K57-S59 PolarHBondContact O-N 2.91Å; S59-I61 PolarHBondContact O-N 2.85Å; S59-S557 CarbonylContact O-C 3.59Å; S59-N558 VanDerWaalsContact O-CA 3.25Å; S59-N558 WeakPolarHBondContact O-CA 3.27Å; S59-N558 PolarHBondContact O-N 2.83Å
60	A	41.2	Very low	49.4	Very low	43 Å²	43	97.8 Å²	97.8	36%	0.355	53%	0.528	S	S	.	.	S	Bend	trans	-75.7	14.9	-178.4	0	0	0	0	0	115.6	R56 Q62	R56-A60 WeakPolarHBondContact O-CB 3.31Å; R56-A60 PolarHBondContact O-N 3.48Å; A60-Q62 VanDerWaalsContact C-N 3.32Å; A60-Q62 PolarHBondContact O-N 3.06Å
61	I	41.3	Very low	47.9	Very low	70 Å²	70	101.1 Å²	101.1	36%	0.359	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.8	31.7	-149.4	-162	172.5	0	0	0	115.4	S59 K556	S59-I61 PolarHBondContact O-N 2.85Å; I61-K556 HydrophobicContact CG2-CB 4.49Å; I61-K556 HydrophobicContact CG2-CD 4.44Å; I61-K556 HydrophobicContact CG2-CG 3.52Å; I61-K556 WeakPolarHBondContact O-CD 3.07Å; I61-K556 WeakPolarHBondContact O-CE 3.48Å; I61-K556 PolarHBondContact O-NZ 3.34Å
62	Q	41.9	Very low	46.1	Very low	91 Å²	91	101.3 Å²	101.3	43%	0.425	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-123.2	-5.8	-169.1	-154.9	169.1	40.1	0	0	118.9	A60 K556 S557 N558	A60-Q62 VanDerWaalsContact C-N 3.32Å; A60-Q62 PolarHBondContact O-N 3.06Å; Q62-K556 HydrophobicContact CB-CD 4.48Å; Q62-K556 HydrophobicContact CG-CD 4.29Å; Q62-S557 VanDerWaalsContact CD-OG 3.3Å; Q62-S557 PolarHBondContact OE1-OG 2.81Å; Q62-N558 PolarHBondContact OE1-ND2 3.14Å
63	H	39.2	Very low	44.5	Very low	132 Å²	132	103.1 Å²	103.1	61%	0.611	59%	0.586	S	S	*	*			trans	-139	152.4	178	-59.5	-84	0	0	0	109.9
64	Q	36.2	Very low	43.2	Very low	138 Å²	138	102.4 Å²	102.4	65%	0.645	59%	0.586	S	S	*	*			cis	-178.4	142.1	-22.6	-113.9	179.7	-94.3	0	0	104.9
65	D	34.7	Very low	41.6	Very low	138 Å²	138	103.2 Å²	103.2	74%	0.738	61%	0.606	S	S	*	*			trans	51.3	73.6	143.2	-44.1	-29.3	0	0	0	120.8
66	V	36.4	Very low	40.6	Very low	144 Å²	144	102.7 Å²	102.7	87%	0.873	61%	0.611	S	S	*	*			trans	-136.3	142.1	152	-161.7	0	0	0	0	110.6
67	S	33.4	Very low	39.9	Very low	96 Å²	96	100.6 Å²	100.6	67%	0.671	61%	0.607	S	S	*	*			trans	-74.2	151.8	-173.1	-168.9	0	0	0	0	114.1
68	S	32.4	Very low	39.5	Very low	113 Å²	113	98.6 Å²	98.6	79%	0.79	60%	0.602	S	S	*	*			trans	-131.4	83.7	174.7	39.4	0	0	0	0	111.4
69	T	33.3	Very low	39.7	Very low	134 Å²	134	95 Å²	95	82%	0.822	59%	0.59	S	S	*	*			trans	-114.8	79.6	-179.6	47.1	0	0	0	0	111.6
70	A	37.1	Very low	40.1	Very low	85 Å²	85	96.6 Å²	96.6	70%	0.702	60%	0.598	S	S	*	*	S	Bend	trans	-149.5	125.8	162.5	0	0	0	0	0	108.4	G72	A70-G72 PolarHBondContact O-N 2.74Å
71	P	41.8	Very low	40.6	Very low	109 Å²	109	99 Å²	99	71%	0.708	61%	0.605	S	S	*	*			trans	-63.9	119.5	-177.5	-24.4	35.2	0	0	0	112.5	F73	P71-F73 VanDerWaalsContact C-N 3.31Å; P71-F73 HydrophobicContact CB-CD2 4.21Å; P71-F73 HydrophobicContact CB-CE2 3.81Å; P71-F73 HydrophobicContact CB-CZ 4.46Å; P71-F73 WeakPolarHBondContact O-CD2 3.3Å; P71-F73 PolarHBondContact O-N 2.7Å
72	G	36.7	Very low	41	Very low	82 Å²	82	99.6 Å²	99.6	85%	0.845	61%	0.608	S	S	*	*			trans	-77.3	67.6	-174.3	0	0	0	0	0	114.5	A70	A70-G72 PolarHBondContact O-N 2.74Å
73	F	39.4	Very low	42.2	Very low	124 Å²	124	96.6 Å²	96.6	54%	0.544	60%	0.595	S	S	.	*			trans	-65.3	132	170.9	-66.2	-76.2	0	0	0	111.3	P71 I78 L81	P71-F73 VanDerWaalsContact C-N 3.31Å; P71-F73 HydrophobicContact CB-CD2 4.21Å; P71-F73 HydrophobicContact CB-CE2 3.81Å; P71-F73 HydrophobicContact CB-CZ 4.46Å; P71-F73 WeakPolarHBondContact O-CD2 3.3Å; P71-F73 PolarHBondContact O-N 2.7Å; F73-I78 HydrophobicContact CB-CD1 4.15Å; F73-I78 HydrophobicContact CB-CG1 3.86Å; F73-L81 HydrophobicContact CD1-CD1 4.11Å; F73-L81 HydrophobicContact CE1-CD1 4.16Å
74	S	38.8	Very low	43.2	Very low	44 Å²	44	92.3 Å²	92.3	31%	0.308	59%	0.587	S	S	.	*			trans	-77	155.1	173.1	68	0	0	0	0	111.6	S76 E77 I78	S74-S76 WeakPolarHBondContact CB-OG 3.3Å; S74-S76 PolarHBondContact O-N 3.08Å; S74-S76 VanDerWaalsContact O-N 3.14Å; S74-S76 PolarHBondContact OG-OG 2.89Å; S74-E77 VanDerWaalsContact CB-OE2 3.26Å; S74-E77 WeakPolarHBondContact CB-OE2 3.17Å; S74-E77 PolarHBondContact N-OE2 2.92Å; S74-E77 PolarHBondContact O-N 2.99Å; S74-E77 VanDerWaalsContact OG-CD 3.27Å; S74-E77 WeakPolarHBondContact OG-CG 3.25Å; S74-E77 PolarHBondContact OG-N 2.81Å; S74-E77 PolarHBondContact OG-OE2 2.82Å; S74-I78 WeakPolarHBondContact O-CG1 3.42Å; S74-I78 PolarHBondContact O-N 2.75Å
75	A	34.6	Very low	44.3	Very low	88 Å²	88	89.7 Å²	89.7	73%	0.727	58%	0.58	S	S	*	*	H	α-helix	trans	-55.9	-31.6	174.1	0	0	0	0	0	112.7	E77 G79	A75-E77 VanDerWaalsContact C-N 3.32Å; A75-E77 PolarHBondContact O-N 3.15Å; A75-G79 PolarHBondContact O-N 2.96Å
76	S	46.1	Very low	45.5	Very low	95 Å²	95	84.2 Å²	84.2	66%	0.664	55%	0.55	S	S	*	*	H	α-helix	trans	-66.1	-24.1	173.4	29.2	0	0	0	0	114.9	S74 P80	S74-S76 WeakPolarHBondContact CB-OG 3.3Å; S74-S76 PolarHBondContact O-N 3.08Å; S74-S76 VanDerWaalsContact O-N 3.14Å; S74-S76 PolarHBondContact OG-OG 2.89Å; S76-P80 WeakPolarHBondContact O-CD 3.36Å; S76-P80 WeakPolarHBondContact O-CG 3.38Å
77	E	44.6	Very low	47.1	Very low	98 Å²	98	81 Å²	81	46%	0.458	53%	0.529	S	S	.	.	H	α-helix	trans	-93.5	-37.2	174.8	-68.5	156.7	130.6	0	0	111.1	S74 A75 G79 P80 L81	S74-E77 VanDerWaalsContact CB-OE2 3.26Å; S74-E77 WeakPolarHBondContact CB-OE2 3.17Å; S74-E77 PolarHBondContact N-OE2 2.92Å; S74-E77 PolarHBondContact O-N 2.99Å; S74-E77 VanDerWaalsContact OG-CD 3.27Å; S74-E77 WeakPolarHBondContact OG-CG 3.25Å; S74-E77 PolarHBondContact OG-N 2.81Å; S74-E77 PolarHBondContact OG-OE2 2.82Å; A75-E77 VanDerWaalsContact C-N 3.32Å; A75-E77 PolarHBondContact O-N 3.15Å; E77-G79 VanDerWaalsContact C-N 3.34Å; E77-G79 PolarHBondContact O-N 3.09Å; E77-P80 WeakPolarHBondContact O-CD 3.26Å; E77-L81 HydrophobicContact CB-CD1 4.49Å; E77-L81 WeakPolarHBondContact O-CB 3.3Å; E77-L81 WeakPolarHBondContact O-CD1 3.41Å; E77-L81 VanDerWaalsContact O-CG 3.27Å; E77-L81 WeakPolarHBondContact O-CG 3.15Å; E77-L81 PolarHBondContact O-N 3.09Å
78	I	44.3	Very low	48.8	Very low	88 Å²	88	76.5 Å²	76.5	45%	0.451	50%	0.497	S	S	.	.	H	α-helix	trans	-60.5	-41.5	179.2	-66.4	166.7	0	0	0	111.3	F73 S74 L81 L82	F73-I78 HydrophobicContact CB-CD1 4.15Å; F73-I78 HydrophobicContact CB-CG1 3.86Å; S74-I78 WeakPolarHBondContact O-CG1 3.42Å; S74-I78 PolarHBondContact O-N 2.75Å; I78-L81 PolarHBondContact O-N 3.01Å; I78-L82 WeakPolarHBondContact O-CB 3.34Å; I78-L82 PolarHBondContact O-N 3.37Å
79	G	53.9	Low	51	Low	30 Å²	30	71.6 Å²	71.6	31%	0.309	46%	0.461	S	S	.	.	H	α-helix	trans	-57	-60	178.6	0	0	0	0	0	113.4	A75 E77 L81 L82 L83	A75-G79 PolarHBondContact O-N 2.96Å; E77-G79 VanDerWaalsContact C-N 3.34Å; E77-G79 PolarHBondContact O-N 3.09Å; G79-L81 PolarHBondContact O-N 2.81Å; G79-L82 PolarHBondContact O-N 2.92Å; G79-L83 WeakPolarHBondContact O-CG 3.45Å; G79-L83 PolarHBondContact O-N 3.33Å
80	P	55.1	Low	53.2	Low	86 Å²	86	68.2 Å²	68.2	56%	0.558	44%	0.435	S	S	*	.	H	α-helix	trans	-60.1	-38.2	175.6	-26.5	36	0	0	0	114.1	S76 E77 G84	S76-P80 WeakPolarHBondContact O-CD 3.36Å; S76-P80 WeakPolarHBondContact O-CG 3.38Å; E77-P80 WeakPolarHBondContact O-CD 3.26Å; P80-G84 PolarHBondContact O-N 3.33Å
81	L	50.3	Low	55.5	Low	94 Å²	94	64.8 Å²	64.8	49%	0.492	41%	0.405	S	S	.	.	H	α-helix	trans	-62.8	-43.4	175.2	-77.8	168.5	0	0	0	111.8	F73 E77 I78 G79 G84 V85	F73-L81 HydrophobicContact CD1-CD1 4.11Å; F73-L81 HydrophobicContact CE1-CD1 4.16Å; E77-L81 HydrophobicContact CB-CD1 4.49Å; E77-L81 WeakPolarHBondContact O-CB 3.3Å; E77-L81 WeakPolarHBondContact O-CD1 3.41Å; E77-L81 VanDerWaalsContact O-CG 3.27Å; E77-L81 WeakPolarHBondContact O-CG 3.15Å; E77-L81 PolarHBondContact O-N 3.09Å; I78-L81 PolarHBondContact O-N 3.01Å; G79-L81 PolarHBondContact O-N 2.81Å; L81-G84 PolarHBondContact O-N 2.58Å; L81-V85 WeakPolarHBondContact O-CB 3.38Å; L81-V85 VanDerWaalsContact O-CG2 3.31Å; L81-V85 WeakPolarHBondContact O-CG2 3.5Å; L81-V85 PolarHBondContact O-N 2.78Å
82	L	50.9	Low	57.2	Low	83 Å²	83	60.9 Å²	60.9	44%	0.435	38%	0.378	S	S	.	.	H	α-helix	trans	-64	-49.8	177.9	-176.9	65.1	0	0	0	110.8	I78 G79 G84 V85 L86	I78-L82 WeakPolarHBondContact O-CB 3.34Å; I78-L82 PolarHBondContact O-N 3.37Å; G79-L82 PolarHBondContact O-N 2.92Å; L82-G84 VanDerWaalsContact C-N 3.26Å; L82-G84 PolarHBondContact O-N 3.41Å; L82-V85 PolarHBondContact O-N 2.85Å; L82-V85 VanDerWaalsContact O-N 3.16Å; L82-L86 HydrophobicContact CD1-CD1 3.89Å; L82-L86 HydrophobicContact CD1-CD2 4.4Å; L82-L86 HydrophobicContact CD1-CG 3.98Å; L82-L86 HydrophobicContact CD2-CD1 4.42Å; L82-L86 HydrophobicContact CG-CD1 3.75Å; L82-L86 HydrophobicContact CG-CG 4.2Å; L82-L86 WeakPolarHBondContact O-CB 3.42Å; L82-L86 WeakPolarHBondContact O-CG 3.4Å; L82-L86 PolarHBondContact O-N 3.27Å
83	L	66.1	Low	59.3	Low	28 Å²	28	57 Å²	57	15%	0.147	34%	0.338	C	S	.	.	H	α-helix	trans	-60.6	-35.2	177.9	-65.7	178.2	0	0	0	112.6	G79 D87 S88 F90	G79-L83 WeakPolarHBondContact O-CG 3.45Å; G79-L83 PolarHBondContact O-N 3.33Å; L83-D87 PolarHBondContact O-N 2.91Å; L83-S88 WeakPolarHBondContact CD2-OG 3.34Å; L83-S88 PolarHBondContact O-N 3.48Å; L83-F90 HydrophobicContact CD1-CB 4.28Å; L83-F90 HydrophobicContact CD2-CB 4Å
84	G	60.8	Low	61.2	Low	42 Å²	42	52.2 Å²	52.2	43%	0.433	32%	0.319	S	S	.	.	H	α-helix	trans	-67.2	-44.9	172.2	0	0	0	0	0	113.6	P80 L81 L82 L86 D87	P80-G84 PolarHBondContact O-N 3.33Å; L81-G84 PolarHBondContact O-N 2.58Å; L82-G84 VanDerWaalsContact C-N 3.26Å; L82-G84 PolarHBondContact O-N 3.41Å; G84-L86 VanDerWaalsContact C-N 3.3Å; G84-L86 PolarHBondContact O-N 3.42Å; G84-D87 PolarHBondContact O-N 3.37Å
85	V	59.8	Low	63	Low	83 Å²	83	52.1 Å²	52.1	50%	0.503	32%	0.318	S	S	.	.	H	α-helix	trans	-70.1	-26	178.1	168.6	0	0	0	0	112.6	L81 L82	L81-V85 WeakPolarHBondContact O-CB 3.38Å; L81-V85 VanDerWaalsContact O-CG2 3.31Å; L81-V85 WeakPolarHBondContact O-CG2 3.5Å; L81-V85 PolarHBondContact O-N 2.78Å; L82-V85 PolarHBondContact O-N 2.85Å; L82-V85 VanDerWaalsContact O-N 3.16Å
86	L	60.6	Low	65.1	Low	22 Å²	22	54.2 Å²	54.2	12%	0.115	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-6.2	179	-67.2	179.9	0	0	0	113.8	L82 G84 S88 R154	L82-L86 HydrophobicContact CD1-CD1 3.89Å; L82-L86 HydrophobicContact CD1-CD2 4.4Å; L82-L86 HydrophobicContact CD1-CG 3.98Å; L82-L86 HydrophobicContact CD2-CD1 4.42Å; L82-L86 HydrophobicContact CG-CD1 3.75Å; L82-L86 HydrophobicContact CG-CG 4.2Å; L82-L86 WeakPolarHBondContact O-CB 3.42Å; L82-L86 WeakPolarHBondContact O-CG 3.4Å; L82-L86 PolarHBondContact O-N 3.27Å; G84-L86 VanDerWaalsContact C-N 3.3Å; G84-L86 PolarHBondContact O-N 3.42Å; L86-S88 VanDerWaalsContact C-N 3.27Å; L86-S88 WeakPolarHBondContact CB-OG 3.36Å; L86-S88 PolarHBondContact O-N 2.79Å; L86-R154 PolarHBondContact O-NE 3.14Å; L86-R154 PolarHBondContact O-NH2 2.99Å
87	D	69.1	Low	66.8	Low	78 Å²	78	49.7 Å²	49.7	42%	0.417	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	51.7	-165.3	-93.6	-51.5	0	0	0	112.1	L83 G84 R155	L83-D87 PolarHBondContact O-N 2.91Å; G84-D87 PolarHBondContact O-N 3.37Å; D87-R155 HydrophobicContact CB-CB 4.41Å; D87-R155 PolarHBondContact O-N 2.84Å
88	S	68.7	Low	68.8	Low	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	160.4	-170	76.9	0	0	0	0	114.8	L83 L86 N105 Y109 V153	L83-S88 WeakPolarHBondContact CD2-OG 3.34Å; L83-S88 PolarHBondContact O-N 3.48Å; L86-S88 VanDerWaalsContact C-N 3.27Å; L86-S88 WeakPolarHBondContact CB-OG 3.36Å; L86-S88 PolarHBondContact O-N 2.79Å; S88-N105 PolarHBondContact O-ND2 2.95Å; S88-Y109 PolarHBondContact N-OH 3.05Å; S88-Y109 WeakPolarHBondContact O-CE2 3.41Å; S88-V153 WeakPolarHBondContact CA-O 3.26Å; S88-V153 WeakPolarHBondContact CB-O 3.39Å
89	F	80.2	Confident	70.7	Confident	10 Å²	10	42.9 Å²	42.9	4%	0.044	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	161.4	162.1	67.8	-83.5	0	0	0	109.9	F91 V102 V106 Y109 L110 V153	F89-F91 HydrophobicContact CD2-CD1 4.18Å; F89-F91 AromaticContact CE2-CD1 3.7Å; F89-F91 HydrophobicContact CE2-CD1 3.7Å; F89-F91 HydrophobicContact CE2-CE1 4.15Å; F89-V102 HydrophobicContact CD2-CG2 4.32Å; F89-V106 HydrophobicContact CB-CB 4.26Å; F89-V106 HydrophobicContact CD2-CB 4.11Å; F89-V106 HydrophobicContact CD2-CG2 3.66Å; F89-V106 HydrophobicContact CE2-CG2 3.87Å; F89-V106 HydrophobicContact CG-CB 4.22Å; F89-V106 HydrophobicContact CG-CG2 4.01Å; F89-V106 HydrophobicContact CZ-CG2 4.38Å; F89-Y109 HydrophobicContact CB-CD2 3.91Å; F89-Y109 HydrophobicContact CB-CE2 4.19Å; F89-Y109 AromaticContact CD1-CD2 3.68Å; F89-Y109 HydrophobicContact CD1-CD2 3.68Å; F89-Y109 AromaticContact CD1-CG 3.84Å; F89-Y109 HydrophobicContact CD1-CG 3.84Å; F89-Y109 HydrophobicContact CE1-CG 4.49Å; F89-Y109 HydrophobicContact CG-CD2 4.21Å; F89-L110 HydrophobicContact CE1-CD1 4.42Å; F89-L110 HydrophobicContact CE1-CD2 4.33Å; F89-L110 HydrophobicContact CE1-CG 4.15Å; F89-L110 HydrophobicContact CE2-CD1 4.15Å; F89-L110 HydrophobicContact CZ-CD1 3.76Å; F89-L110 HydrophobicContact CZ-CD2 4.26Å; F89-L110 HydrophobicContact CZ-CG 3.99Å; F89-V153 HydrophobicContact CD1-CB 4.22Å; F89-V153 HydrophobicContact CE1-CB 3.69Å; F89-V153 HydrophobicContact CE1-CG1 3.85Å; F89-V153 HydrophobicContact CE1-CG2 4.15Å; F89-V153 HydrophobicContact CE2-CG2 4.23Å; F89-V153 HydrophobicContact CZ-CB 3.89Å; F89-V153 HydrophobicContact CZ-CG1 4.16Å; F89-V153 HydrophobicContact CZ-CG2 3.8Å
90	F	78.2	Confident	72.1	Confident	64 Å²	64	46 Å²	46	28%	0.281	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.3	-176	172	-86.2	0	0	0	109.6	L83 V92 F101 V102 S103 V150	L83-F90 HydrophobicContact CD1-CB 4.28Å; L83-F90 HydrophobicContact CD2-CB 4Å; F90-V92 HydrophobicContact CE1-CG2 3.6Å; F90-V92 HydrophobicContact CZ-CG2 3.83Å; F90-F101 AromaticContact CD1-CD1 3.78Å; F90-F101 HydrophobicContact CD1-CD1 3.78Å; F90-F101 AromaticContact CD1-CE1 3.77Å; F90-F101 HydrophobicContact CD1-CE1 3.77Å; F90-F101 AromaticContact CE1-CD1 3.74Å; F90-F101 HydrophobicContact CE1-CD1 3.74Å; F90-F101 AromaticContact CE1-CE1 3.98Å; F90-F101 HydrophobicContact CE1-CE1 3.98Å; F90-V102 CarbonylContact O-C 3.52Å; F90-V102 WeakPolarHBondContact O-CA 3.27Å; F90-S103 PolarHBondContact N-OG 3.32Å; F90-S103 PolarHBondContact O-N 2.97Å; F90-S103 PolarHBondContact O-OG 2.64Å; F90-V150 HydrophobicContact CD2-CG1 4.47Å; F90-V150 HydrophobicContact CE2-CG1 3.68Å; F90-V150 HydrophobicContact CZ-CG1 4.36Å
91	F	84.8	Confident	73.5	Confident	13 Å²	13	47 Å²	47	6%	0.057	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	160.2	172.5	67.9	-90.2	0	0	0	112.1	F89 L93 F101 V102 I122 C151 V153	F89-F91 HydrophobicContact CD2-CD1 4.18Å; F89-F91 AromaticContact CE2-CD1 3.7Å; F89-F91 HydrophobicContact CE2-CD1 3.7Å; F89-F91 HydrophobicContact CE2-CE1 4.15Å; F91-L93 HydrophobicContact CD2-CD2 3.75Å; F91-L93 HydrophobicContact CD2-CG 3.87Å; F91-L93 HydrophobicContact CE2-CD1 3.94Å; F91-L93 HydrophobicContact CE2-CD2 3.89Å; F91-L93 HydrophobicContact CE2-CG 3.74Å; F91-F101 CarbonylContact C-O 3.58Å; F91-F101 VanDerWaalsContact CA-O 3.23Å; F91-F101 WeakPolarHBondContact CA-O 3.16Å; F91-F101 WeakPolarHBondContact CB-O 3.34Å; F91-V102 HydrophobicContact CB-CB 4.17Å; F91-V102 HydrophobicContact CB-CG2 4.1Å; F91-I122 HydrophobicContact CD2-CD1 4.5Å; F91-I122 HydrophobicContact CE2-CD1 4.05Å; F91-I122 HydrophobicContact CZ-CD1 4.32Å; F91-C151 HydrophobicContact CD1-CB 4.07Å; F91-C151 HydrophobicContact CD2-CB 4.3Å; F91-C151 HydrophobicContact CE1-CB 3.49Å; F91-C151 VanDerWaalsContact CE1-CB 3.49Å; F91-C151 HydrophobicContact CE2-CB 3.74Å; F91-C151 HydrophobicContact CG-CB 4.46Å; F91-C151 HydrophobicContact CZ-CB 3.3Å; F91-V153 HydrophobicContact CD1-CG2 4.39Å; F91-V153 HydrophobicContact CE1-CG2 3.66Å
92	V	77.8	Confident	75	Confident	26 Å²	26	42.7 Å²	42.7	16%	0.158	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.8	177.9	-175.4	0	0	0	0	108.9	F90 E100 F101 C148	F90-V92 HydrophobicContact CE1-CG2 3.6Å; F90-V92 HydrophobicContact CZ-CG2 3.83Å; V92-E100 PolarHBondContact O-N 2.84Å; V92-F101 HydrophobicContact CB-CB 4.1Å; V92-F101 HydrophobicContact CG2-CB 4.07Å; V92-F101 HydrophobicContact CG2-CD1 4.48Å; V92-F101 PolarHBondContact N-O 3.34Å; V92-C148 HydrophobicContact CG1-CB 4.01Å
93	L	80.7	Confident	76.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	144.9	174.1	-55.5	-176.2	0	0	0	111.8	F91 L98 V99 I122 F134 L138 L149	F91-L93 HydrophobicContact CD2-CD2 3.75Å; F91-L93 HydrophobicContact CD2-CG 3.87Å; F91-L93 HydrophobicContact CE2-CD1 3.94Å; F91-L93 HydrophobicContact CE2-CD2 3.89Å; F91-L93 HydrophobicContact CE2-CG 3.74Å; L93-L98 WeakPolarHBondContact CA-O 3.38Å; L93-V99 HydrophobicContact CD2-CB 4.26Å; L93-V99 HydrophobicContact CD2-CG2 3.7Å; L93-I122 HydrophobicContact CD1-CB 4.08Å; L93-I122 HydrophobicContact CD1-CG1 4.18Å; L93-I122 HydrophobicContact CD1-CG2 3.79Å; L93-I122 HydrophobicContact CD2-CB 4Å; L93-I122 HydrophobicContact CD2-CD1 4.28Å; L93-I122 HydrophobicContact CD2-CG1 4.3Å; L93-I122 HydrophobicContact CD2-CG2 4.49Å; L93-F134 HydrophobicContact CD1-CE1 3.43Å; L93-F134 VanDerWaalsContact CD1-CE1 3.43Å; L93-F134 HydrophobicContact CD1-CZ 3.55Å; L93-L138 HydrophobicContact CB-CD2 4.28Å; L93-L138 HydrophobicContact CD1-CD2 3.8Å; L93-L149 HydrophobicContact CD1-CD2 4.43Å; L93-L149 PolarHBondContact N-O 3.34Å
94	N	80.4	Confident	77.3	Confident	25 Å²	25	42.8 Å²	42.8	13%	0.134	23%	0.23	C	C	.	.			trans	-79.3	175.4	161.9	77.1	-2.6	0	0	0	111.5	E96 G97 L98 E100	N94-E96 PolarHBondContact O-N 3.39Å; N94-E96 WeakPolarHBondContact OD1-CA 3.36Å; N94-E96 WeakPolarHBondContact OD1-CB 3.41Å; N94-E96 PolarHBondContact OD1-N 3.35Å; N94-G97 PolarHBondContact O-N 2.84Å; N94-G97 PolarHBondContact OD1-N 3.1Å; N94-G97 VanDerWaalsContact OD1-N 3.09Å; N94-L98 PolarHBondContact N-O 2.87Å; N94-L98 VanDerWaalsContact N-O 3.15Å; N94-L98 WeakPolarHBondContact OD1-CB 3.48Å; N94-L98 PolarHBondContact OD1-N 3.4Å; N94-E100 HydrophobicContact CB-CG 4.02Å
95	S	76.1	Confident	78.3	Confident	42 Å²	42	42.2 Å²	42.2	29%	0.294	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.5	177	46.9	0	0	0	0	114.7	G97 P139	S95-G97 VanDerWaalsContact C-N 3.31Å; S95-P139 WeakPolarHBondContact CB-O 3.43Å
96	E	79	Confident	79.4	Confident	131 Å²	131	38.3 Å²	38.3	61%	0.612	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-3.4	172.9	-53.9	-178.7	145.2	0	0	112.7	N94 L98	N94-E96 PolarHBondContact O-N 3.39Å; N94-E96 WeakPolarHBondContact OD1-CA 3.36Å; N94-E96 WeakPolarHBondContact OD1-CB 3.41Å; N94-E96 PolarHBondContact OD1-N 3.35Å; E96-L98 VanDerWaalsContact C-N 3.33Å; E96-L98 HydrophobicContact CB-CG 4.23Å; E96-L98 WeakPolarHBondContact OE2-CD1 3.29Å
97	G	82	Confident	80.6	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.			trans	73.3	20.8	-175.5	0	0	0	0	0	113.9	N94 S95 S121 I122	N94-G97 PolarHBondContact O-N 2.84Å; N94-G97 PolarHBondContact OD1-N 3.1Å; N94-G97 VanDerWaalsContact OD1-N 3.09Å; S95-G97 VanDerWaalsContact C-N 3.31Å; G97-S121 CarbonylContact O-C 3.57Å; G97-S121 WeakPolarHBondContact O-CA 3.3Å; G97-I122 WeakPolarHBondContact O-CG2 3.27Å; G97-I122 PolarHBondContact O-N 3.41Å
98	L	85.6	Confident	81.1	Confident	38 Å²	38	42.1 Å²	42.1	20%	0.199	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-81.2	139.4	169.5	-56.4	-178.5	0	0	0	110.2	L93 N94 E96 E100	L93-L98 WeakPolarHBondContact CA-O 3.38Å; N94-L98 PolarHBondContact N-O 2.87Å; N94-L98 VanDerWaalsContact N-O 3.15Å; N94-L98 WeakPolarHBondContact OD1-CB 3.48Å; N94-L98 PolarHBondContact OD1-N 3.4Å; E96-L98 VanDerWaalsContact C-N 3.33Å; E96-L98 HydrophobicContact CB-CG 4.23Å; E96-L98 WeakPolarHBondContact OE2-CD1 3.29Å; L98-E100 PolarHBondContact O-N 3.49Å
99	V	85.7	Confident	81.8	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.03	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	106.8	175.2	-177.2	0	0	0	0	109.8	L93 F101 V102 L117 L118 Q119 K120 I122	L93-V99 HydrophobicContact CD2-CB 4.26Å; L93-V99 HydrophobicContact CD2-CG2 3.7Å; V99-F101 WeakPolarHBondContact CG1-O 3.48Å; V99-V102 HydrophobicContact CG1-CB 4.07Å; V99-V102 HydrophobicContact CG1-CG1 4.45Å; V99-L117 WeakPolarHBondContact CB-O 3.45Å; V99-L118 WeakPolarHBondContact O-CA 3.44Å; V99-Q119 PolarHBondContact O-N 3.01Å; V99-K120 PolarHBondContact N-O 3.37Å; V99-I122 HydrophobicContact CG2-CD1 4.06Å
100	E	81.8	Confident	82	Confident	96 Å²	96	45.8 Å²	45.8	45%	0.449	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-32.3	176.5	-65.3	-162.6	145.8	0	0	112.4	V92 N94 L98 L118	V92-E100 PolarHBondContact O-N 2.84Å; N94-E100 HydrophobicContact CB-CG 4.02Å; L98-E100 PolarHBondContact O-N 3.49Å; E100-L118 VanDerWaalsContact O-CD2 3.28Å; E100-L118 WeakPolarHBondContact O-CD2 3.42Å
101	F	84.9	Confident	82.4	Confident	107 Å²	107	49.6 Å²	49.6	47%	0.469	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	145.7	176.7	-176.7	-92.9	0	0	0	111.1	F90 F91 V92 V99	F90-F101 AromaticContact CD1-CD1 3.78Å; F90-F101 HydrophobicContact CD1-CD1 3.78Å; F90-F101 AromaticContact CD1-CE1 3.77Å; F90-F101 HydrophobicContact CD1-CE1 3.77Å; F90-F101 AromaticContact CE1-CD1 3.74Å; F90-F101 HydrophobicContact CE1-CD1 3.74Å; F90-F101 AromaticContact CE1-CE1 3.98Å; F90-F101 HydrophobicContact CE1-CE1 3.98Å; F91-F101 CarbonylContact C-O 3.58Å; F91-F101 VanDerWaalsContact CA-O 3.23Å; F91-F101 WeakPolarHBondContact CA-O 3.16Å; F91-F101 WeakPolarHBondContact CB-O 3.34Å; V92-F101 HydrophobicContact CB-CB 4.1Å; V92-F101 HydrophobicContact CG2-CB 4.07Å; V92-F101 HydrophobicContact CG2-CD1 4.48Å; V92-F101 PolarHBondContact N-O 3.34Å; V99-F101 WeakPolarHBondContact CG1-O 3.48Å
102	V	82.3	Confident	82.4	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.024	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	142.1	168.5	64.3	0	0	0	0	109.9	F89 F90 F91 V99 V106 K114 L117 L118	F89-V102 HydrophobicContact CD2-CG2 4.32Å; F90-V102 CarbonylContact O-C 3.52Å; F90-V102 WeakPolarHBondContact O-CA 3.27Å; F91-V102 HydrophobicContact CB-CB 4.17Å; F91-V102 HydrophobicContact CB-CG2 4.1Å; V99-V102 HydrophobicContact CG1-CB 4.07Å; V99-V102 HydrophobicContact CG1-CG1 4.45Å; V102-V106 HydrophobicContact CG1-CG1 4.43Å; V102-V106 HydrophobicContact CG2-CB 3.73Å; V102-V106 HydrophobicContact CG2-CG1 3.81Å; V102-V106 HydrophobicContact CG2-CG2 3.9Å; V102-K114 HydrophobicContact CG1-CB 3.63Å; V102-L117 HydrophobicContact CG1-CB 4.15Å; V102-L117 HydrophobicContact CG1-CD1 4.43Å; V102-L117 HydrophobicContact CG2-CD1 4.19Å; V102-L118 HydrophobicContact CG1-CD2 4.4Å; V102-L118 HydrophobicContact CG1-CG 4.33Å
103	S	82.3	Confident	82.9	Confident	10 Å²	10	54.5 Å²	54.5	7%	0.07	28%	0.276	C	S	.	.			trans	-72.4	141.2	-179.8	58.3	0	0	0	0	112.6	F90 N105 V106	F90-S103 PolarHBondContact N-OG 3.32Å; F90-S103 PolarHBondContact O-N 2.97Å; F90-S103 PolarHBondContact O-OG 2.64Å; S103-N105 WeakPolarHBondContact CB-OD1 3.28Å; S103-N105 PolarHBondContact O-N 2.74Å; S103-N105 PolarHBondContact OG-OD1 2.83Å; S103-V106 WeakPolarHBondContact O-CB 3.25Å; S103-V106 WeakPolarHBondContact O-CG1 3.25Å; S103-V106 PolarHBondContact O-N 2.88Å
104	D	82.4	Confident	83.1	Confident	103 Å²	103	58 Å²	58	55%	0.551	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-52	-27.2	-176.9	-74	30.3	0	0	0	114.8	V106 K114	D104-V106 VanDerWaalsContact C-N 3.26Å; D104-V106 PolarHBondContact O-N 3.07Å; D104-K114 WeakPolarHBondContact OD1-CD 3.44Å; D104-K114 IonicContact OD1-NZ 2.7Å; D104-K114 PolarHBondContact OD1-NZ 2.79Å; D104-K114 IonicContact OD2-NZ 3.94Å; D104-K114 PolarHBondContact OD2-NZ 3.45Å
105	N	81.2	Confident	83.5	Confident	30 Å²	30	60.1 Å²	60.1	16%	0.16	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-76.3	-3.7	179.3	72.6	-24.2	0	0	0	114.6	S88 S103 I107 N108 Y109	S88-N105 PolarHBondContact O-ND2 2.95Å; S103-N105 WeakPolarHBondContact CB-OD1 3.28Å; S103-N105 PolarHBondContact O-N 2.74Å; S103-N105 PolarHBondContact OG-OD1 2.83Å; N105-I107 PolarHBondContact O-N 3.1Å; N105-I107 VanDerWaalsContact O-N 3.12Å; N105-N108 VanDerWaalsContact O-CB 3.29Å; N105-N108 WeakPolarHBondContact O-CB 2.89Å; N105-N108 PolarHBondContact O-N 3.07Å; N105-Y109 HydrophobicContact CB-CE2 4.46Å; N105-Y109 VanDerWaalsContact O-CD2 3.31Å; N105-Y109 WeakPolarHBondContact O-CD2 3.45Å
106	V	83.3	Confident	84	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-54.7	-30.5	177.7	66.8	0	0	0	0	113.5	F89 V102 S103 D104 N108 Y109 L110 L117	F89-V106 HydrophobicContact CB-CB 4.26Å; F89-V106 HydrophobicContact CD2-CB 4.11Å; F89-V106 HydrophobicContact CD2-CG2 3.66Å; F89-V106 HydrophobicContact CE2-CG2 3.87Å; F89-V106 HydrophobicContact CG-CB 4.22Å; F89-V106 HydrophobicContact CG-CG2 4.01Å; F89-V106 HydrophobicContact CZ-CG2 4.38Å; V102-V106 HydrophobicContact CG1-CG1 4.43Å; V102-V106 HydrophobicContact CG2-CB 3.73Å; V102-V106 HydrophobicContact CG2-CG1 3.81Å; V102-V106 HydrophobicContact CG2-CG2 3.9Å; S103-V106 WeakPolarHBondContact O-CB 3.25Å; S103-V106 WeakPolarHBondContact O-CG1 3.25Å; S103-V106 PolarHBondContact O-N 2.88Å; D104-V106 VanDerWaalsContact C-N 3.26Å; D104-V106 PolarHBondContact O-N 3.07Å; V106-N108 PolarHBondContact O-N 2.77Å; V106-Y109 PolarHBondContact O-N 3.47Å; V106-L110 HydrophobicContact CG2-CB 4.26Å; V106-L110 HydrophobicContact CG2-CD1 3.72Å; V106-L110 HydrophobicContact CG2-CG 3.98Å; V106-L110 PolarHBondContact O-N 3.2Å; V106-L117 HydrophobicContact CB-CD1 4.47Å; V106-L117 HydrophobicContact CG1-CD1 4.08Å; V106-L117 HydrophobicContact CG2-CD1 3.61Å
107	I	85.2	Confident	84.4	Confident	79 Å²	79	56.2 Å²	56.2	41%	0.405	29%	0.291	S	S	.	.	H	α-helix	trans	-59.4	-26.7	176	-165.2	169.3	0	0	0	113.2	N105 Y109 H111 L112	N105-I107 PolarHBondContact O-N 3.1Å; N105-I107 VanDerWaalsContact O-N 3.12Å; I107-Y109 VanDerWaalsContact C-N 3.32Å; I107-H111 VanDerWaalsContact O-CA 3.29Å; I107-H111 WeakPolarHBondContact O-CA 3.32Å; I107-H111 PolarHBondContact O-N 3.29Å; I107-H111 PolarHBondContact O-ND1 3.38Å; I107-L112 VanDerWaalsContact CA-O 3.29Å; I107-L112 WeakPolarHBondContact CA-O 3.46Å; I107-L112 PolarHBondContact N-O 3.47Å
108	N	81.4	Confident	84.7	Confident	102 Å²	102	59.1 Å²	59.1	55%	0.545	31%	0.307	S	S	.	.	H	α-helix	trans	-73.9	-23.7	177	-59.6	-19.6	0	0	0	112.5	N105 V106	N105-N108 VanDerWaalsContact O-CB 3.29Å; N105-N108 WeakPolarHBondContact O-CB 2.89Å; N105-N108 PolarHBondContact O-N 3.07Å; V106-N108 PolarHBondContact O-N 2.77Å
109	Y	82	Confident	84.7	Confident	23 Å²	23	63.3 Å²	63.3	9%	0.09	33%	0.325	C	S	.	.	H	α-helix	trans	-107.9	-42.9	-172.5	-57.4	-75.6	0	0	0	113.1	S88 F89 N105 V106 I107 W271	S88-Y109 PolarHBondContact N-OH 3.05Å; S88-Y109 WeakPolarHBondContact O-CE2 3.41Å; F89-Y109 HydrophobicContact CB-CD2 3.91Å; F89-Y109 HydrophobicContact CB-CE2 4.19Å; F89-Y109 AromaticContact CD1-CD2 3.68Å; F89-Y109 HydrophobicContact CD1-CD2 3.68Å; F89-Y109 AromaticContact CD1-CG 3.84Å; F89-Y109 HydrophobicContact CD1-CG 3.84Å; F89-Y109 HydrophobicContact CE1-CG 4.49Å; F89-Y109 HydrophobicContact CG-CD2 4.21Å; N105-Y109 HydrophobicContact CB-CE2 4.46Å; N105-Y109 VanDerWaalsContact O-CD2 3.31Å; N105-Y109 WeakPolarHBondContact O-CD2 3.45Å; V106-Y109 PolarHBondContact O-N 3.47Å; I107-Y109 VanDerWaalsContact C-N 3.32Å; Y109-W271 AromaticContact CD1-CH2 3.94Å; Y109-W271 HydrophobicContact CD1-CH2 3.94Å; Y109-W271 AromaticContact CD1-CZ3 3.84Å; Y109-W271 HydrophobicContact CD1-CZ3 3.84Å; Y109-W271 HydrophobicContact CG-CH2 4.34Å; Y109-W271 HydrophobicContact CG-CZ3 4.31Å
110	L	84.9	Confident	84.8	Confident	63 Å²	63	67.4 Å²	67.4	33%	0.33	34%	0.343	S	S	.	.	H	α-helix	trans	-105.7	-10.5	-177.3	-59.2	-173.5	0	0	0	113.7	F89 V106 L112 L117 L125	F89-L110 HydrophobicContact CE1-CD1 4.42Å; F89-L110 HydrophobicContact CE1-CD2 4.33Å; F89-L110 HydrophobicContact CE1-CG 4.15Å; F89-L110 HydrophobicContact CE2-CD1 4.15Å; F89-L110 HydrophobicContact CZ-CD1 3.76Å; F89-L110 HydrophobicContact CZ-CD2 4.26Å; F89-L110 HydrophobicContact CZ-CG 3.99Å; V106-L110 HydrophobicContact CG2-CB 4.26Å; V106-L110 HydrophobicContact CG2-CD1 3.72Å; V106-L110 HydrophobicContact CG2-CG 3.98Å; V106-L110 PolarHBondContact O-N 3.2Å; L110-L112 HydrophobicContact CB-CB 4.5Å; L110-L112 PolarHBondContact O-N 3.14Å; L110-L117 HydrophobicContact CD1-CD1 4.29Å; L110-L125 HydrophobicContact CD1-CD1 4.13Å
111	H	86	Confident	85.1	Confident	145 Å²	145	64.2 Å²	64.2	67%	0.671	33%	0.331	S	S	*	.	S	Bend	trans	56.1	26.5	-173.3	-52.6	-34.2	0	0	0	114.2	I107	I107-H111 VanDerWaalsContact O-CA 3.29Å; I107-H111 WeakPolarHBondContact O-CA 3.32Å; I107-H111 PolarHBondContact O-N 3.29Å; I107-H111 PolarHBondContact O-ND1 3.38Å
112	L	86.1	Confident	85.1	Confident	61 Å²	61	59.7 Å²	59.7	32%	0.319	31%	0.312	S	S	.	.			trans	-112.8	141.4	171.1	-63.3	173.7	0	0	0	109	I107 L110 L117 L125	I107-L112 VanDerWaalsContact CA-O 3.29Å; I107-L112 WeakPolarHBondContact CA-O 3.46Å; I107-L112 PolarHBondContact N-O 3.47Å; L110-L112 HydrophobicContact CB-CB 4.5Å; L110-L112 PolarHBondContact O-N 3.14Å; L112-L117 HydrophobicContact CB-CD1 4.47Å; L112-L117 HydrophobicContact CB-CD2 4.33Å; L112-L117 HydrophobicContact CB-CG 4.27Å; L112-L117 HydrophobicContact CD1-CD2 3.69Å; L112-L125 HydrophobicContact CD1-CD2 3.79Å
113	D	86.6	Confident	85.3	Confident	81 Å²	81	61.7 Å²	61.7	43%	0.433	32%	0.32	S	S	.	.			trans	-72.9	155.5	171.6	-168.3	-1.9	0	0	0	110.1	A115 D116 L117	D113-A115 PolarHBondContact O-N 2.82Å; D113-D116 WeakPolarHBondContact O-CA 3.23Å; D113-D116 WeakPolarHBondContact O-CB 3.48Å; D113-D116 PolarHBondContact O-N 3.43Å; D113-L117 PolarHBondContact O-N 3.3Å
114	K	86	Confident	85.4	Confident	73 Å²	73	67.3 Å²	67.3	32%	0.317	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-58.1	-37.1	173.8	67.3	-167.5	-175.7	-179.4	0	111.7	V102 D104 D116 L117 L118	V102-K114 HydrophobicContact CG1-CB 3.63Å; D104-K114 WeakPolarHBondContact OD1-CD 3.44Å; D104-K114 IonicContact OD1-NZ 2.7Å; D104-K114 PolarHBondContact OD1-NZ 2.79Å; D104-K114 IonicContact OD2-NZ 3.94Å; D104-K114 PolarHBondContact OD2-NZ 3.45Å; K114-D116 PolarHBondContact O-N 3.48Å; K114-L117 PolarHBondContact O-N 2.89Å; K114-L118 VanDerWaalsContact O-CG 3.26Å; K114-L118 WeakPolarHBondContact O-CG 3.47Å; K114-L118 PolarHBondContact O-N 3Å
115	A	88	Confident	85.5	Confident	69 Å²	69	65.7 Å²	65.7	57%	0.57	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-63.3	-21.7	173.6	0	0	0	0	0	113.3	D113	D113-A115 PolarHBondContact O-N 2.82Å
116	D	87.5	Confident	85.6	Confident	83 Å²	83	66 Å²	66	44%	0.444	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-90.7	2.3	175.4	-101.8	-43.4	0	0	0	113.7	D113 K114 K120	D113-D116 WeakPolarHBondContact O-CA 3.23Å; D113-D116 WeakPolarHBondContact O-CB 3.48Å; D113-D116 PolarHBondContact O-N 3.43Å; K114-D116 PolarHBondContact O-N 3.48Å; D116-K120 VanDerWaalsContact O-CD 3.23Å; D116-K120 WeakPolarHBondContact O-CD 3.15Å; D116-K120 WeakPolarHBondContact O-CE 3.45Å; D116-K120 PolarHBondContact O-NZ 2.87Å; D116-K120 IonicContact OD1-NZ 2.99Å; D116-K120 PolarHBondContact OD1-NZ 2.84Å
117	L	88.1	Confident	85.3	Confident	8 Å²	8	70 Å²	70	4%	0.042	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-42.5	177.3	-66.1	-178.6	0	0	0	112.6	V99 V102 V106 L110 L112 D113 K114 Q119 K120 L125	V99-L117 WeakPolarHBondContact CB-O 3.45Å; V102-L117 HydrophobicContact CG1-CB 4.15Å; V102-L117 HydrophobicContact CG1-CD1 4.43Å; V102-L117 HydrophobicContact CG2-CD1 4.19Å; V106-L117 HydrophobicContact CB-CD1 4.47Å; V106-L117 HydrophobicContact CG1-CD1 4.08Å; V106-L117 HydrophobicContact CG2-CD1 3.61Å; L110-L117 HydrophobicContact CD1-CD1 4.29Å; L112-L117 HydrophobicContact CB-CD1 4.47Å; L112-L117 HydrophobicContact CB-CD2 4.33Å; L112-L117 HydrophobicContact CB-CG 4.27Å; L112-L117 HydrophobicContact CD1-CD2 3.69Å; D113-L117 PolarHBondContact O-N 3.3Å; K114-L117 PolarHBondContact O-N 2.89Å; L117-Q119 PolarHBondContact O-N 3.48Å; L117-K120 WeakPolarHBondContact O-CB 3.27Å; L117-K120 PolarHBondContact O-N 2.9Å; L117-L125 HydrophobicContact CD2-CD1 3.74Å; L117-L125 HydrophobicContact CD2-CD2 3.97Å; L117-L125 HydrophobicContact CD2-CG 4.35Å
118	L	87.1	Confident	85.1	Confident	62 Å²	62	70 Å²	70	33%	0.325	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	133.5	179.3	-70.8	167.5	0	0	0	112	V99 E100 V102 K114 K120	V99-L118 WeakPolarHBondContact O-CA 3.44Å; E100-L118 VanDerWaalsContact O-CD2 3.28Å; E100-L118 WeakPolarHBondContact O-CD2 3.42Å; V102-L118 HydrophobicContact CG1-CD2 4.4Å; V102-L118 HydrophobicContact CG1-CG 4.33Å; K114-L118 VanDerWaalsContact O-CG 3.26Å; K114-L118 WeakPolarHBondContact O-CG 3.47Å; K114-L118 PolarHBondContact O-N 3Å; L118-K120 PolarHBondContact O-N 3.26Å; L118-K120 VanDerWaalsContact O-N 3.11Å
119	Q	85.1	Confident	84.8	Confident	125 Å²	125	68.6 Å²	68.6	58%	0.584	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	16.2	-178.2	-58.9	-63.9	-36.7	0	0	114.8	V99 L117	V99-Q119 PolarHBondContact O-N 3.01Å; L117-Q119 PolarHBondContact O-N 3.48Å
120	K	88	Confident	84.6	Confident	91 Å²	91	70.8 Å²	70.8	40%	0.396	39%	0.394	S	S	.	.	S	Bend	trans	-102.3	152	165.9	-53.2	-169	-163.7	165.9	0	109.8	V99 D116 L117 L118	V99-K120 PolarHBondContact N-O 3.37Å; D116-K120 VanDerWaalsContact O-CD 3.23Å; D116-K120 WeakPolarHBondContact O-CD 3.15Å; D116-K120 WeakPolarHBondContact O-CE 3.45Å; D116-K120 PolarHBondContact O-NZ 2.87Å; D116-K120 IonicContact OD1-NZ 2.99Å; D116-K120 PolarHBondContact OD1-NZ 2.84Å; L117-K120 WeakPolarHBondContact O-CB 3.27Å; L117-K120 PolarHBondContact O-N 2.9Å; L118-K120 PolarHBondContact O-N 3.26Å; L118-K120 VanDerWaalsContact O-N 3.11Å
121	S	87.7	Confident	84.5	Confident	30 Å²	30	70.5 Å²	70.5	21%	0.21	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-72.9	134.1	176.7	179.4	0	0	0	0	111.7	G97 F123 N124	G97-S121 CarbonylContact O-C 3.57Å; G97-S121 WeakPolarHBondContact O-CA 3.3Å; S121-F123 PolarHBondContact O-N 3.04Å; S121-F123 VanDerWaalsContact OG-CD2 3.32Å; S121-F123 WeakPolarHBondContact OG-CD2 3.46Å; S121-F123 PolarHBondContact OG-N 3.44Å; S121-N124 WeakPolarHBondContact O-CB 3.34Å; S121-N124 PolarHBondContact O-N 3.43Å; S121-N124 VanDerWaalsContact O-N 3.14Å; S121-N124 PolarHBondContact O-ND2 2.62Å
122	I	86	Confident	84.1	Confident	11 Å²	11	66.5 Å²	66.5	6%	0.056	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-61.2	-26.7	177.7	-163.3	69.9	0	0	0	112.6	F91 L93 G97 V99 N124 L125 I126 F134	F91-I122 HydrophobicContact CD2-CD1 4.5Å; F91-I122 HydrophobicContact CE2-CD1 4.05Å; F91-I122 HydrophobicContact CZ-CD1 4.32Å; L93-I122 HydrophobicContact CD1-CB 4.08Å; L93-I122 HydrophobicContact CD1-CG1 4.18Å; L93-I122 HydrophobicContact CD1-CG2 3.79Å; L93-I122 HydrophobicContact CD2-CB 4Å; L93-I122 HydrophobicContact CD2-CD1 4.28Å; L93-I122 HydrophobicContact CD2-CG1 4.3Å; L93-I122 HydrophobicContact CD2-CG2 4.49Å; G97-I122 WeakPolarHBondContact O-CG2 3.27Å; G97-I122 PolarHBondContact O-N 3.41Å; V99-I122 HydrophobicContact CG2-CD1 4.06Å; I122-N124 PolarHBondContact O-N 2.83Å; I122-L125 HydrophobicContact CD1-CD1 3.92Å; I122-L125 PolarHBondContact O-N 2.7Å; I122-I126 HydrophobicContact CB-CD1 4.48Å; I122-I126 HydrophobicContact CG1-CD1 3.8Å; I122-I126 HydrophobicContact CG1-CG1 4.21Å; I122-I126 HydrophobicContact CG2-CD1 4.06Å; I122-I126 PolarHBondContact O-N 3.49Å; I122-F134 HydrophobicContact CG1-CE1 4.42Å; I122-F134 HydrophobicContact CG1-CZ 4.36Å; I122-F134 HydrophobicContact CG2-CD1 4.07Å; I122-F134 HydrophobicContact CG2-CE1 3.62Å; I122-F134 HydrophobicContact CG2-CZ 4.36Å
123	F	87.2	Confident	83.5	Confident	46 Å²	46	67.1 Å²	67.1	20%	0.202	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-63.1	-11.5	176.4	-60.5	-65.1	0	0	0	113.3	S121 L125 H131 F134 E135 L138	S121-F123 PolarHBondContact O-N 3.04Å; S121-F123 VanDerWaalsContact OG-CD2 3.32Å; S121-F123 WeakPolarHBondContact OG-CD2 3.46Å; S121-F123 PolarHBondContact OG-N 3.44Å; F123-L125 VanDerWaalsContact C-N 3.35Å; F123-H131 HydrophobicContact CD1-CB 4.13Å; F123-H131 AromaticContact CD1-CD2 3.86Å; F123-H131 AromaticContact CD1-CG 3.87Å; F123-H131 HydrophobicContact CE1-CB 4.42Å; F123-H131 PolarHBondContact O-CE1 3.04Å; F123-H131 PolarHBondContact O-NE2 2.99Å; F123-F134 HydrophobicContact CE1-CB 4.24Å; F123-F134 HydrophobicContact CE1-CD1 4Å; F123-F134 HydrophobicContact CZ-CD1 4.36Å; F123-E135 HydrophobicContact CE1-CB 4.3Å; F123-E135 HydrophobicContact CZ-CB 4.02Å; F123-E135 HydrophobicContact CZ-CG 4.45Å; F123-L138 HydrophobicContact CE2-CD1 3.79Å; F123-L138 HydrophobicContact CZ-CD1 3.62Å
124	N	84.5	Confident	83	Confident	129 Å²	129	64.3 Å²	64.3	69%	0.69	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-76.4	-18.9	169.1	-63.4	-72.1	0	0	0	113.7	S121 I122	S121-N124 WeakPolarHBondContact O-CB 3.34Å; S121-N124 PolarHBondContact O-N 3.43Å; S121-N124 VanDerWaalsContact O-N 3.14Å; S121-N124 PolarHBondContact O-ND2 2.62Å; I122-N124 PolarHBondContact O-N 2.83Å
125	L	83.1	Confident	82.7	Confident	68 Å²	68	66.8 Å²	66.8	36%	0.356	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-34.5	177.9	-51.6	-175.8	0	0	0	112.3	L110 L112 L117 I122 F123	L110-L125 HydrophobicContact CD1-CD1 4.13Å; L112-L125 HydrophobicContact CD1-CD2 3.79Å; L117-L125 HydrophobicContact CD2-CD1 3.74Å; L117-L125 HydrophobicContact CD2-CD2 3.97Å; L117-L125 HydrophobicContact CD2-CG 4.35Å; I122-L125 HydrophobicContact CD1-CD1 3.92Å; I122-L125 PolarHBondContact O-N 2.7Å; F123-L125 VanDerWaalsContact C-N 3.35Å
126	I	83.9	Confident	82.1	Confident	38 Å²	38	70.8 Å²	70.8	20%	0.195	39%	0.385	C	S	.	.	S	Bend	trans	-77.5	143	-176.8	-58.3	174.1	0	0	0	109.9	I122 D130 H131 F134	I122-I126 HydrophobicContact CB-CD1 4.48Å; I122-I126 HydrophobicContact CG1-CD1 3.8Å; I122-I126 HydrophobicContact CG1-CG1 4.21Å; I122-I126 HydrophobicContact CG2-CD1 4.06Å; I122-I126 PolarHBondContact O-N 3.49Å; I126-D130 HydrophobicContact CG2-CB 3.81Å; I126-H131 PolarHBondContact O-NE2 3.18Å; I126-F134 HydrophobicContact CD1-CB 3.96Å; I126-F134 HydrophobicContact CD1-CD1 3.58Å; I126-F134 HydrophobicContact CD1-CD2 3.42Å; I126-F134 VanDerWaalsContact CD1-CD2 3.42Å; I126-F134 HydrophobicContact CD1-CE1 3.91Å; I126-F134 HydrophobicContact CD1-CE2 3.74Å; I126-F134 HydrophobicContact CD1-CG 3.33Å; I126-F134 HydrophobicContact CD1-CZ 3.98Å
127	V	76.1	Confident	81.3	Confident	82 Å²	82	67.5 Å²	67.5	50%	0.497	37%	0.367	S	S	.	.			trans	-67.1	139	176.3	-176.8	0	0	0	0	110	A129 D130 H131	V127-A129 HydrophobicContact CG1-CB 4.41Å; V127-A129 PolarHBondContact O-N 3.1Å; V127-D130 PolarHBondContact O-N 3.34Å; V127-H131 PolarHBondContact O-CD2 3.29Å; V127-H131 PolarHBondContact O-N 3.44Å
128	A	81.4	Confident	80.5	Confident	80 Å²	80	68 Å²	68	66%	0.661	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.3	-174.7	0	0	0	0	0	115.4	D130	A128-D130 VanDerWaalsContact C-N 3.32Å
129	A	75.3	Confident	79.3	Confident	72 Å²	72	65.3 Å²	65.3	60%	0.595	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-29.5	171.6	0	0	0	0	0	112.6	V127	V127-A129 HydrophobicContact CG1-CB 4.41Å; V127-A129 PolarHBondContact O-N 3.1Å
130	D	77.1	Confident	78.1	Confident	70 Å²	70	64.1 Å²	64.1	37%	0.374	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-6.7	-173	-50.9	-50.2	0	0	0	112.3	I126 V127 A128 A132 H133 F134	I126-D130 HydrophobicContact CG2-CB 3.81Å; V127-D130 PolarHBondContact O-N 3.34Å; A128-D130 VanDerWaalsContact C-N 3.32Å; D130-A132 VanDerWaalsContact C-N 3.34Å; D130-A132 PolarHBondContact O-N 2.82Å; D130-H133 WeakPolarHBondContact O-CA 3.3Å; D130-H133 WeakPolarHBondContact O-CB 3.3Å; D130-H133 PolarHBondContact O-N 3.28Å; D130-F134 WeakPolarHBondContact O-CB 3.42Å; D130-F134 PolarHBondContact O-N 3.23Å
131	H	84.6	Confident	76.5	Confident	56 Å²	56	64.3 Å²	64.3	26%	0.259	36%	0.364	S	S	.	.	H	α-helix	trans	-53.2	-49.1	177.8	-72.7	-171.4	0	0	0	111.8	F123 I126 V127 H133 F134 E135	F123-H131 HydrophobicContact CD1-CB 4.13Å; F123-H131 AromaticContact CD1-CD2 3.86Å; F123-H131 AromaticContact CD1-CG 3.87Å; F123-H131 HydrophobicContact CE1-CB 4.42Å; F123-H131 PolarHBondContact O-CE1 3.04Å; F123-H131 PolarHBondContact O-NE2 2.99Å; I126-H131 PolarHBondContact O-NE2 3.18Å; V127-H131 PolarHBondContact O-CD2 3.29Å; V127-H131 PolarHBondContact O-N 3.44Å; H131-H133 PolarHBondContact O-N 3.42Å; H131-F134 PolarHBondContact O-N 2.93Å; H131-E135 VanDerWaalsContact O-CB 3.27Å; H131-E135 WeakPolarHBondContact O-CB 3.47Å; H131-E135 PolarHBondContact O-N 3.47Å
132	A	75.9	Confident	74.4	Confident	61 Å²	61	70.3 Å²	70.3	50%	0.504	39%	0.393	S	S	.	.	H	α-helix	trans	-73	-9.2	179	0	0	0	0	0	114.5	D130 K136	D130-A132 VanDerWaalsContact C-N 3.34Å; D130-A132 PolarHBondContact O-N 2.82Å; A132-K136 WeakPolarHBondContact O-CE 3.18Å; A132-K136 WeakPolarHBondContact O-CG 3.49Å
133	H	75	Confident	72	Confident	75 Å²	75	72 Å²	72	35%	0.347	41%	0.408	S	S	.	.	H	α-helix	trans	-90.6	-40.9	169	-66	108.7	0	0	0	110.6	D130 H131 K136	D130-H133 WeakPolarHBondContact O-CA 3.3Å; D130-H133 WeakPolarHBondContact O-CB 3.3Å; D130-H133 PolarHBondContact O-N 3.28Å; H131-H133 PolarHBondContact O-N 3.42Å; H133-K136 PolarHBondContact O-N 2.82Å
134	F	75.5	Confident	69.3	Low	21 Å²	21	78.4 Å²	78.4	9%	0.092	44%	0.443	C	S	.	.	H	α-helix	trans	-74.4	-34.2	-179.6	-163.7	-84.2	0	0	0	113.1	L93 I122 F123 I126 D130 H131 K136 L137 L138 L149	L93-F134 HydrophobicContact CD1-CE1 3.43Å; L93-F134 VanDerWaalsContact CD1-CE1 3.43Å; L93-F134 HydrophobicContact CD1-CZ 3.55Å; I122-F134 HydrophobicContact CG1-CE1 4.42Å; I122-F134 HydrophobicContact CG1-CZ 4.36Å; I122-F134 HydrophobicContact CG2-CD1 4.07Å; I122-F134 HydrophobicContact CG2-CE1 3.62Å; I122-F134 HydrophobicContact CG2-CZ 4.36Å; F123-F134 HydrophobicContact CE1-CB 4.24Å; F123-F134 HydrophobicContact CE1-CD1 4Å; F123-F134 HydrophobicContact CZ-CD1 4.36Å; I126-F134 HydrophobicContact CD1-CB 3.96Å; I126-F134 HydrophobicContact CD1-CD1 3.58Å; I126-F134 HydrophobicContact CD1-CD2 3.42Å; I126-F134 VanDerWaalsContact CD1-CD2 3.42Å; I126-F134 HydrophobicContact CD1-CE1 3.91Å; I126-F134 HydrophobicContact CD1-CE2 3.74Å; I126-F134 HydrophobicContact CD1-CG 3.33Å; I126-F134 HydrophobicContact CD1-CZ 3.98Å; D130-F134 WeakPolarHBondContact O-CB 3.42Å; D130-F134 PolarHBondContact O-N 3.23Å; H131-F134 PolarHBondContact O-N 2.93Å; F134-K136 PolarHBondContact O-N 2.9Å; F134-L137 HydrophobicContact CD2-CD1 3.81Å; F134-L137 HydrophobicContact CE2-CD1 4.17Å; F134-L137 HydrophobicContact CG-CD1 4.27Å; F134-L137 WeakPolarHBondContact O-CA 3.28Å; F134-L137 VanDerWaalsContact O-CB 3.27Å; F134-L137 WeakPolarHBondContact O-CB 3.24Å; F134-L137 PolarHBondContact O-N 2.82Å; F134-L138 HydrophobicContact CE1-CD2 3.98Å; F134-L138 HydrophobicContact CE1-CG 4.5Å; F134-L138 PolarHBondContact O-N 2.86Å; F134-L149 HydrophobicContact CE1-CD2 4.37Å; F134-L149 HydrophobicContact CZ-CD2 3.95Å
135	E	80.2	Confident	66.9	Low	126 Å²	126	75.2 Å²	75.2	59%	0.589	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-59.1	-33	174.2	-171.9	175.1	-164.9	0	0	111.8	F123 H131 L137 L138	F123-E135 HydrophobicContact CE1-CB 4.3Å; F123-E135 HydrophobicContact CZ-CB 4.02Å; F123-E135 HydrophobicContact CZ-CG 4.45Å; H131-E135 VanDerWaalsContact O-CB 3.27Å; H131-E135 WeakPolarHBondContact O-CB 3.47Å; H131-E135 PolarHBondContact O-N 3.47Å; E135-L137 PolarHBondContact O-N 3.29Å; E135-L138 PolarHBondContact O-N 3.4Å
136	K	75.5	Confident	64.3	Low	153 Å²	153	81.4 Å²	81.4	67%	0.665	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-69	-12.8	173	-60.9	177.7	-179.6	-173.9	0	114.1	A132 H133 F134	A132-K136 WeakPolarHBondContact O-CE 3.18Å; A132-K136 WeakPolarHBondContact O-CG 3.49Å; H133-K136 PolarHBondContact O-N 2.82Å; F134-K136 PolarHBondContact O-N 2.9Å
137	L	69.6	Low	61.9	Low	13 Å²	13	80.8 Å²	80.8	7%	0.068	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-95.4	-17.2	176.8	-47	173.4	0	0	0	112.2	F134 E135 L149 N309 F311	F134-L137 HydrophobicContact CD2-CD1 3.81Å; F134-L137 HydrophobicContact CE2-CD1 4.17Å; F134-L137 HydrophobicContact CG-CD1 4.27Å; F134-L137 WeakPolarHBondContact O-CA 3.28Å; F134-L137 VanDerWaalsContact O-CB 3.27Å; F134-L137 WeakPolarHBondContact O-CB 3.24Å; F134-L137 PolarHBondContact O-N 2.82Å; E135-L137 PolarHBondContact O-N 3.29Å; L137-L149 HydrophobicContact CB-CD2 3.88Å; L137-N309 HydrophobicContact CD2-CB 4.2Å; L137-F311 HydrophobicContact CD1-CD2 4.21Å; L137-F311 HydrophobicContact CD1-CE1 4.31Å; L137-F311 HydrophobicContact CD1-CE2 3.34Å; L137-F311 HydrophobicContact CD1-CZ 3.43Å; L137-F311 VanDerWaalsContact CD1-CZ 3.43Å; L137-F311 HydrophobicContact CD2-CE2 4.14Å; L137-F311 HydrophobicContact CD2-CZ 3.73Å; L137-F311 HydrophobicContact CG-CE2 4.36Å; L137-F311 HydrophobicContact CG-CZ 4.11Å
138	L	72.7	Confident	59.7	Low	19 Å²	19	79.1 Å²	79.1	10%	0.099	45%	0.448	C	S	.	.	S	Bend	trans	-70.1	135.3	173	-63.3	-179.3	0	0	0	108.6	L93 F123 F134 E135	L93-L138 HydrophobicContact CB-CD2 4.28Å; L93-L138 HydrophobicContact CD1-CD2 3.8Å; F123-L138 HydrophobicContact CE2-CD1 3.79Å; F123-L138 HydrophobicContact CZ-CD1 3.62Å; F134-L138 HydrophobicContact CE1-CD2 3.98Å; F134-L138 HydrophobicContact CE1-CG 4.5Å; F134-L138 PolarHBondContact O-N 2.86Å; E135-L138 PolarHBondContact O-N 3.4Å
139	P	61	Low	57.5	Low	6 Å²	6	75.4 Å²	75.4	4%	0.039	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-62.8	138.8	174.2	-22.2	34.2	0	0	0	111.1	S95 S147 L277	S95-P139 WeakPolarHBondContact CB-O 3.43Å; P139-S147 WeakPolarHBondContact CB-OG 3.48Å; P139-S147 WeakPolarHBondContact CG-O 3.44Å; P139-L277 HydrophobicContact CG-CD2 3.98Å
140	D	59.9	Low	55.5	Low	100 Å²	100	74.9 Å²	74.9	54%	0.535	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-52	125.4	180	-92.1	-64.7	0	0	0	111	L142 A143	D140-L142 PolarHBondContact O-N 3.04Å; D140-A143 HydrophobicContact CB-CB 4.3Å; D140-A143 VanDerWaalsContact O-CB 3.31Å; D140-A143 WeakPolarHBondContact O-CB 3.13Å; D140-A143 PolarHBondContact O-N 2.97Å
141	P	53.8	Low	53.6	Low	95 Å²	95	71.6 Å²	71.6	62%	0.617	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-1.8	179.7	28.1	-35.6	0	0	0	113.7
142	L	44.1	Very low	51.1	Low	156 Å²	156	71.9 Å²	71.9	82%	0.817	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-4.4	172.6	-60.4	177.8	0	0	0	113.2	D140 I144	D140-L142 PolarHBondContact O-N 3.04Å; L142-I144 PolarHBondContact O-N 3.42Å
143	A	35.6	Very low	49.3	Very low	45 Å²	45	69.6 Å²	69.6	37%	0.372	37%	0.371	S	S	.	.			trans	-73	121.7	174.8	0	0	0	0	0	110.2	D140 S145	D140-A143 HydrophobicContact CB-CB 4.3Å; D140-A143 VanDerWaalsContact O-CB 3.31Å; D140-A143 WeakPolarHBondContact O-CB 3.13Å; D140-A143 PolarHBondContact O-N 2.97Å; A143-S145 PolarHBondContact O-N 3.46Å
144	I	31.5	Very low	47.3	Very low	182 Å²	182	67.1 Å²	67.1	93%	0.933	36%	0.359	S	S	*	.	S	Bend	trans	-79.3	34.7	-176	-41.4	178.8	0	0	0	111.3	L142	L142-I144 PolarHBondContact O-N 3.42Å
145	S	32.6	Very low	45.3	Very low	62 Å²	62	71.4 Å²	71.4	43%	0.434	37%	0.374	S	S	.	.	S	Bend	trans	-136.6	140.3	-177.8	64.2	0	0	0	0	110	A143 S147	A143-S145 PolarHBondContact O-N 3.46Å; S145-S147 PolarHBondContact O-N 3.21Å; S145-S147 PolarHBondContact O-OG 3.21Å; S145-S147 VanDerWaalsContact O-OG 3.06Å
146	H	30.3	Very low	43.1	Very low	197 Å²	197	67.9 Å²	67.9	91%	0.912	36%	0.363	S	S	*	.			trans	-69.6	60.8	-178.8	-65.8	-81.5	0	0	0	112.3
147	S	32.4	Very low	41.3	Very low	25 Å²	25	67.3 Å²	67.3	18%	0.175	36%	0.363	C	S	.	.			trans	-81.7	121.7	-178.5	40.8	0	0	0	0	108.9	P139 S145	P139-S147 WeakPolarHBondContact CB-OG 3.48Å; P139-S147 WeakPolarHBondContact CG-O 3.44Å; S145-S147 PolarHBondContact O-N 3.21Å; S145-S147 PolarHBondContact O-OG 3.21Å; S145-S147 VanDerWaalsContact O-OG 3.06Å
148	C	30.6	Very low	39.4	Very low	48 Å²	48	73.1 Å²	73.1	32%	0.324	39%	0.39	S	S	.	.			trans	-121.3	136	-179.7	-55.6	0	0	0	0	107.8	V92 V150	V92-C148 HydrophobicContact CG1-CB 4.01Å; C148-V150 PolarHBondContact O-N 2.89Å
149	L	34.9	Very low	37.6	Very low	2 Å²	2	80.3 Å²	80.3	1%	0.01	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	120.2	173	-176.3	66.2	0	0	0	109.2	L93 F134 L137 L277	L93-L149 HydrophobicContact CD1-CD2 4.43Å; L93-L149 PolarHBondContact N-O 3.34Å; F134-L149 HydrophobicContact CE1-CD2 4.37Å; F134-L149 HydrophobicContact CZ-CD2 3.95Å; L137-L149 HydrophobicContact CB-CD2 3.88Å; L149-L277 HydrophobicContact CD1-CD2 4.03Å; L149-L277 HydrophobicContact CD1-CG 3.93Å
150	V	32	Very low	36.1	Very low	60 Å²	60	88 Å²	88	36%	0.364	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.9	174.6	178.8	0	0	0	0	109.2	F90 C148 A276	F90-V150 HydrophobicContact CD2-CG1 4.47Å; F90-V150 HydrophobicContact CE2-CG1 3.68Å; F90-V150 HydrophobicContact CZ-CG1 4.36Å; C148-V150 PolarHBondContact O-N 2.89Å; V150-A276 PolarHBondContact O-N 3.13Å; V150-A276 VanDerWaalsContact O-N 3.13Å
151	C	37.8	Very low	34.6	Very low	2 Å²	2	89.6 Å²	89.6	1%	0.014	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.8	-178.2	-72.2	0	0	0	0	112.5	F91 V273 F274	F91-C151 HydrophobicContact CD1-CB 4.07Å; F91-C151 HydrophobicContact CD2-CB 4.3Å; F91-C151 HydrophobicContact CE1-CB 3.49Å; F91-C151 VanDerWaalsContact CE1-CB 3.49Å; F91-C151 HydrophobicContact CE2-CB 3.74Å; F91-C151 HydrophobicContact CG-CB 4.46Å; F91-C151 HydrophobicContact CZ-CB 3.3Å; C151-V273 HydrophobicContact CB-CG1 4.42Å; C151-F274 WeakPolarHBondContact CA-O 3.33Å
152	I	33.3	Very low	33.4	Very low	62 Å²	62	93.3 Å²	93.3	32%	0.318	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.1	168	-55.5	177.3	0	0	0	108.1	R154 F274	I152-R154 HydrophobicContact CG2-CG 4.15Å; I152-F274 PolarHBondContact N-O 3.07Å; I152-F274 PolarHBondContact O-N 3.5Å
153	V	36.4	Very low	32.6	Very low	12 Å²	12	92.2 Å²	92.2	7%	0.073	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.5	-179.1	-173.1	0	0	0	0	109.3	S88 F89 F91 W271 V273	S88-V153 WeakPolarHBondContact CA-O 3.26Å; S88-V153 WeakPolarHBondContact CB-O 3.39Å; F89-V153 HydrophobicContact CD1-CB 4.22Å; F89-V153 HydrophobicContact CE1-CB 3.69Å; F89-V153 HydrophobicContact CE1-CG1 3.85Å; F89-V153 HydrophobicContact CE1-CG2 4.15Å; F89-V153 HydrophobicContact CE2-CG2 4.23Å; F89-V153 HydrophobicContact CZ-CB 3.89Å; F89-V153 HydrophobicContact CZ-CG1 4.16Å; F89-V153 HydrophobicContact CZ-CG2 3.8Å; F91-V153 HydrophobicContact CD1-CG2 4.39Å; F91-V153 HydrophobicContact CE1-CG2 3.66Å; V153-W271 HydrophobicContact CG1-CB 4.45Å; V153-W271 HydrophobicContact CG1-CE3 3.97Å; V153-V273 HydrophobicContact CG1-CG2 4.23Å; V153-V273 HydrophobicContact CG2-CG1 4.33Å; V153-V273 HydrophobicContact CG2-CG2 4.1Å
154	R	33.5	Very low	32.2	Very low	24 Å²	24	95.8 Å²	95.8	9%	0.091	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.9	-176.2	-54.5	-172.2	70.5	179.5	-3.1	112.4	L86 I152 L261 L272	L86-R154 PolarHBondContact O-NE 3.14Å; L86-R154 PolarHBondContact O-NH2 2.99Å; I152-R154 HydrophobicContact CG2-CG 4.15Å; R154-L261 PolarHBondContact NH1-O 3.39Å; R154-L261 PolarHBondContact NH2-O 2.92Å; R154-L272 PolarHBondContact N-O 2.9Å; R154-L272 PolarHBondContact O-N 3.1Å
155	R	34.4	Very low	32	Very low	110 Å²	110	92.7 Å²	92.7	42%	0.415	49%	0.491	S	S	.	.			trans	-83.1	136.8	176.9	-173.3	-178.8	174.5	117	-6.3	111	D87 E157 W271	D87-R155 HydrophobicContact CB-CB 4.41Å; D87-R155 PolarHBondContact O-N 2.84Å; R155-E157 IonicContact NE-OE1 3.75Å; R155-W271 HydrophobicContact CB-CE3 3.98Å; R155-W271 HydrophobicContact CB-CH2 4.2Å; R155-W271 HydrophobicContact CB-CZ3 3.68Å; R155-W271 HydrophobicContact CG-CH2 4.26Å; R155-W271 HydrophobicContact CG-CZ3 4.21Å
156	C	34.1	Very low	31.8	Very low	53 Å²	53	95.9 Å²	95.9	36%	0.358	50%	0.504	S	S	.	.			trans	-98.5	141.7	168.4	-62.6	0	0	0	0	110.1	E270	C156-E270 PolarHBondContact SG-O 2.91Å; C156-E270 VanDerWaalsContact SG-O 3.38Å
157	E	36.3	Very low	31.9	Very low	141 Å²	141	95 Å²	95	66%	0.659	51%	0.505	S	S	*	.			trans	-115	142.3	174.9	-60.4	-139.3	124.7	0	0	111.4	R155 H159	R155-E157 IonicContact NE-OE1 3.75Å; E157-H159 PolarHBondContact O-N 3.41Å; E157-H159 VanDerWaalsContact O-N 3.1Å
158	E	31.5	Very low	31.6	Very low	135 Å²	135	100.8 Å²	100.8	63%	0.631	53%	0.534	S	S	*	.			trans	-81.1	14.7	-168.1	-55.8	-173.4	-175.5	0	0	114.9	K269	E158-K269 IonicContact OE1-NZ 2.74Å; E158-K269 PolarHBondContact OE1-NZ 3.1Å; E158-K269 IonicContact OE2-NZ 2.68Å; E158-K269 PolarHBondContact OE2-NZ 2.95Å
159	H	33.7	Very low	31.6	Very low	170 Å²	170	104.8 Å²	104.8	79%	0.787	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	20.5	-145.7	-141.7	-57.2	0	0	0	118.1	E157	E157-H159 PolarHBondContact O-N 3.41Å; E157-H159 VanDerWaalsContact O-N 3.1Å
160	E	30.1	Very low	31.3	Very low	166 Å²	166	108.4 Å²	108.4	78%	0.776	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.7	2.4	173.8	-72.1	-166.3	138.3	0	0	115.4	L162	E160-L162 VanDerWaalsContact C-N 3.31Å; E160-L162 PolarHBondContact O-N 2.92Å
161	L	28	Very low	31.3	Very low	134 Å²	134	110.5 Å²	110.5	70%	0.702	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	12.5	-174	-102.3	162	0	0	0	116.2
162	L	27.5	Very low	31.1	Very low	173 Å²	173	116.7 Å²	116.7	91%	0.906	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.4	41.5	-172	-72.2	175.9	0	0	0	115.2	E160	E160-L162 VanDerWaalsContact C-N 3.31Å; E160-L162 PolarHBondContact O-N 2.92Å
163	T	27.3	Very low	31	Very low	133 Å²	133	123.1 Å²	123.1	82%	0.816	67%	0.67	S	S	*	*			trans	-138.9	123.2	156.5	50.9	0	0	0	0	108.4
164	S	28.4	Very low	30.6	Very low	120 Å²	120	125.9 Å²	125.9	84%	0.839	70%	0.702	S	S	*	*			cis	-134.7	140	13.4	52.1	0	0	0	0	112.9
165	T	26.2	Very low	30.3	Very low	117 Å²	117	133 Å²	133	72%	0.718	74%	0.742	S	S	*	*			trans	-77.3	173.7	157.4	49.3	0	0	0	0	110.9
166	D	29.5	Very low	30	Very low	129 Å²	129	135.8 Å²	135.8	69%	0.69	76%	0.759	S	S	*	*			trans	73.4	95.9	165.7	-47	-48.8	0	0	0	117.1
167	L	31.1	Very low	29.6	Very low	180 Å²	180	137.9 Å²	137.9	94%	0.942	77%	0.772	S	S	*	*				-170.4	168.1	100.2	-93.4	166.8	0	0	0	111.4
168	D	27	Very low	29	Very low	146 Å²	146	137 Å²	137	78%	0.781	78%	0.776	S	S	*	*			trans	-135.7	163.8	-153.3	-170.5	20.5	0	0	0	114.6
169	V	30.4	Very low	28.7	Very low	131 Å²	131	136 Å²	136	79%	0.794	78%	0.784	S	S	*	*			trans	66.2	119.3	168.3	-163.3	0	0	0	0	118.9
170	G	29.5	Very low	28.1	Very low	79 Å²	79	137.8 Å²	137.8	81%	0.814	78%	0.784	S	S	*	*			trans	169.8	86.3	161.8	0	0	0	0	0	116.4
171	S	31	Very low	27.8	Very low	103 Å²	103	135.3 Å²	135.3	72%	0.72	78%	0.782	S	S	*	*			trans	-84.5	129.3	179.1	-172.4	0	0	0	0	113.6
172	N	34.7	Very low	27.6	Very low	132 Å²	132	139.6 Å²	139.6	71%	0.706	80%	0.796	S	S	*	*				-177.4	111.9	119.7	-94.6	-46	0	0	0	115.3
173	K	30.4	Very low	27.4	Very low	197 Å²	197	136 Å²	136	86%	0.857	79%	0.785	S	S	*	*			trans	38.1	111.6	137.5	-55.8	176.1	-176.1	176.3	0	120.4
174	G	27.9	Very low	27.2	Very low	71 Å²	71	135.4 Å²	135.4	73%	0.732	79%	0.786	S	S	*	*			trans	166.4	79.9	155.1	0	0	0	0	0	117
175	N	27.5	Very low	27	Very low	174 Å²	174	135.5 Å²	135.5	93%	0.93	78%	0.782	S	S	*	*			trans	42.7	74.3	161.4	-62.7	-6.9	0	0	0	118.7
176	E	28	Very low	26.9	Very low	168 Å²	168	135.1 Å²	135.1	79%	0.785	78%	0.784	S	S	*	*			trans	-88.8	144.6	168.8	-94.8	-78	115.4	0	0	112.7	V178	E176-V178 PolarHBondContact O-N 2.97Å
177	P	26.5	Very low	26.8	Very low	97 Å²	97	134.7 Å²	134.7	63%	0.63	79%	0.791	S	S	*	*			trans	-76.9	119.8	174.5	30.9	-32.8	0	0	0	112	S179	P177-S179 PolarHBondContact O-N 3.27Å
178	V	22.9	Very low	26.7	Very low	123 Å²	123	132.4 Å²	132.4	75%	0.745	78%	0.779	S	S	*	*			trans	-71.1	89.6	-175.7	-173.8	0	0	0	0	112.1	E176 R180	E176-V178 PolarHBondContact O-N 2.97Å; V178-R180 HydrophobicContact CG1-CG 4.12Å; V178-R180 PolarHBondContact O-N 2.82Å; V178-R180 VanDerWaalsContact O-N 3.11Å
179	S	25	Very low	26.9	Very low	114 Å²	114	128.3 Å²	128.3	80%	0.797	76%	0.76	S	S	*	*			trans	-69.2	98.1	166.5	-64.1	0	0	0	0	109.4	P177	P177-S179 PolarHBondContact O-N 3.27Å
180	R	21.9	Very low	27.2	Very low	207 Å²	207	128.9 Å²	128.9	78%	0.781	75%	0.754	S	S	*	*			trans	-75	143.5	-174.3	-56	178.6	-163.6	167.9	6.7	110.9	V178	V178-R180 HydrophobicContact CG1-CG 4.12Å; V178-R180 PolarHBondContact O-N 2.82Å; V178-R180 VanDerWaalsContact O-N 3.11Å
181	P	23.2	Very low	27.7	Very low	114 Å²	114	128.2 Å²	128.2	74%	0.74	73%	0.729	S	S	*	*			trans	-62.7	152	161.9	30.1	-34.9	0	0	0	109.8	S183	P181-S183 PolarHBondContact O-N 3.44Å
182	F	24.1	Very low	28.1	Very low	224 Å²	224	125.1 Å²	125.1	98%	0.982	71%	0.705	S	S	*	*			trans	-60.6	102	177.2	-90.6	-92.5	0	0	0	111
183	S	22.6	Very low	28.4	Very low	97 Å²	97	119.1 Å²	119.1	68%	0.678	67%	0.674	S	S	*	*			trans	-81.9	121.4	176.7	56.4	0	0	0	0	110.6	P181 T185	P181-S183 PolarHBondContact O-N 3.44Å; S183-T185 PolarHBondContact O-N 3.43Å; S183-T185 VanDerWaalsContact O-N 3.16Å
184	S	23.8	Very low	28.9	Very low	120 Å²	120	111.5 Å²	111.5	84%	0.839	64%	0.641	S	S	*	*			trans	-59.2	105.5	-177.2	54.9	0	0	0	0	114.6
185	T	22.9	Very low	29.5	Very low	123 Å²	123	109.8 Å²	109.8	76%	0.755	61%	0.612	S	S	*	*			trans	-157.3	149.5	159.3	39	0	0	0	0	111.6	S183	S183-T185 PolarHBondContact O-N 3.43Å; S183-T185 VanDerWaalsContact O-N 3.16Å
186	S	24.8	Very low	30	Very low	109 Å²	109	101.9 Å²	101.9	76%	0.762	57%	0.571	S	S	*	*			trans	67.6	137.7	164.9	57.7	0	0	0	0	121.3
187	S	27.9	Very low	30.5	Very low	120 Å²	120	94.7 Å²	94.7	84%	0.839	54%	0.539	S	S	*	.			trans	81.4	140.4	157.9	-49.3	0	0	0	0	120.2
188	L	29	Very low	30.9	Very low	132 Å²	132	93.9 Å²	93.9	69%	0.691	53%	0.534	S	S	*	.			trans	-73.6	173.1	174.5	-109.3	69.5	0	0	0	112.2
189	P	31.1	Very low	31.4	Very low	59 Å²	59	92.6 Å²	92.6	38%	0.383	52%	0.523	S	S	.	.			trans	-60.3	141.4	-172.5	24.2	-34.8	0	0	0	113.1	K191	P189-K191 PolarHBondContact O-N 3.41Å
190	Q	37.5	Very low	31.7	Very low	144 Å²	144	89.2 Å²	89.2	67%	0.673	51%	0.506	S	S	*	.			trans	-68.5	102.4	176.7	-64.4	-175.8	-64.5	0	0	110.2	V192 E207	Q190-V192 PolarHBondContact O-N 3.01Å; Q190-E207 PolarHBondContact NE2-OE1 2.93Å; Q190-E207 VanDerWaalsContact NE2-OE1 3.12Å
191	K	38.5	Very low	32.4	Very low	64 Å²	64	80.9 Å²	80.9	28%	0.278	48%	0.478	S	S	.	.			trans	-65.3	114.7	170.6	174.1	170.1	178.7	153.1	0	109.4	P189 T193 S208 E307	P189-K191 PolarHBondContact O-N 3.41Å; K191-T193 WeakPolarHBondContact CE-OG1 3.27Å; K191-S208 PolarHBondContact O-N 3.22Å; K191-E307 VanDerWaalsContact CE-OE1 3.28Å; K191-E307 WeakPolarHBondContact CE-OE1 3.4Å; K191-E307 WeakPolarHBondContact CE-OE2 3.39Å; K191-E307 IonicContact NZ-OE1 2.66Å; K191-E307 PolarHBondContact NZ-OE1 3.18Å; K191-E307 IonicContact NZ-OE2 3.67Å; K191-E307 PolarHBondContact NZ-OE2 3.45Å
192	V	39	Very low	33.1	Very low	38 Å²	38	79.9 Å²	79.9	23%	0.23	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	113.6	168.7	-172	0	0	0	0	107.6	Q190 F194 Y205	Q190-V192 PolarHBondContact O-N 3.01Å; V192-F194 HydrophobicContact CB-CE2 4.14Å; V192-F194 HydrophobicContact CG1-CD2 4.13Å; V192-F194 HydrophobicContact CG1-CE1 4.38Å; V192-F194 HydrophobicContact CG1-CE2 3.48Å; V192-F194 VanDerWaalsContact CG1-CE2 3.48Å; V192-F194 HydrophobicContact CG1-CZ 3.64Å; V192-Y205 HydrophobicContact CG1-CD2 4.35Å
193	T	42.2	Very low	33.7	Very low	6 Å²	6	72.6 Å²	72.6	4%	0.037	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.1	176.2	-53.9	0	0	0	0	108.5	K191 Y195 Y205 S206 Q305	K191-T193 WeakPolarHBondContact CE-OG1 3.27Å; T193-Y195 HydrophobicContact CG2-CE2 4.12Å; T193-Y205 CarbonylContact O-C 3.54Å; T193-Y205 WeakPolarHBondContact O-CA 3.44Å; T193-Y205 WeakPolarHBondContact O-CB 3.42Å; T193-S206 PolarHBondContact N-O 3.46Å; T193-S206 PolarHBondContact O-N 2.87Å; T193-Q305 HydrophobicContact CG2-CG 3.56Å
194	F	40.9	Very low	34.5	Very low	37 Å²	37	69.2 Å²	69.2	16%	0.162	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	136.6	171.4	-63.3	-94.1	0	0	0	109.9	V192 I202 L306 F308	V192-F194 HydrophobicContact CB-CE2 4.14Å; V192-F194 HydrophobicContact CG1-CD2 4.13Å; V192-F194 HydrophobicContact CG1-CE1 4.38Å; V192-F194 HydrophobicContact CG1-CE2 3.48Å; V192-F194 VanDerWaalsContact CG1-CE2 3.48Å; V192-F194 HydrophobicContact CG1-CZ 3.64Å; F194-I202 HydrophobicContact CD1-CD1 4.1Å; F194-I202 HydrophobicContact CD1-CG2 4Å; F194-I202 HydrophobicContact CE1-CD1 4.48Å; F194-L306 HydrophobicContact CB-CB 4.45Å; F194-L306 PolarHBondContact N-O 3.3Å; F194-L306 PolarHBondContact O-N 3.47Å; F194-F308 AromaticContact CD2-CD2 3.64Å; F194-F308 HydrophobicContact CD2-CD2 3.64Å; F194-F308 AromaticContact CD2-CE2 3.59Å; F194-F308 HydrophobicContact CD2-CE2 3.59Å; F194-F308 AromaticContact CE2-CD2 3.89Å; F194-F308 HydrophobicContact CE2-CD2 3.89Å; F194-F308 HydrophobicContact CE2-CE2 4.01Å
195	Y	40.2	Very low	35.4	Very low	35 Å²	35	68.8 Å²	68.8	14%	0.137	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	112.1	175.3	-62.9	-87.3	0	0	0	107.8	T193 V203 A204 I285 V303	T193-Y195 HydrophobicContact CG2-CE2 4.12Å; Y195-V203 PolarHBondContact O-N 3.25Å; Y195-A204 HydrophobicContact CD2-CB 3.89Å; Y195-A204 HydrophobicContact CG-CB 4.34Å; Y195-A204 PolarHBondContact N-O 2.98Å; Y195-A204 PolarHBondContact O-N 2.89Å; Y195-I285 HydrophobicContact CE1-CD1 4.48Å; Y195-V303 HydrophobicContact CD1-CG1 3.95Å; Y195-V303 HydrophobicContact CG-CG1 4.37Å
196	C	38.3	Very low	36.2	Very low	9 Å²	9	64.4 Å²	64.4	6%	0.061	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	146.8	-177.7	-56	0	0	0	0	111.2	T201 V303 V304	C196-T201 CarbonylContact C-O 3.57Å; C196-T201 VanDerWaalsContact CA-O 3.26Å; C196-T201 WeakPolarHBondContact CA-O 3.43Å; C196-V303 CarbonylContact O-C 3.54Å; C196-V303 WeakPolarHBondContact O-CA 3.46Å; C196-V304 PolarHBondContact N-O 3.16Å; C196-V304 PolarHBondContact O-N 3.01Å
197	S	37.4	Very low	36.9	Very low	17 Å²	17	62 Å²	62	12%	0.119	35%	0.349	C	S	.	.			trans	-81.5	167.4	169.9	34.2	0	0	0	0	110.8	D199 G200 T201	S197-D199 PolarHBondContact O-N 2.73Å; S197-D199 VanDerWaalsContact O-N 3.09Å; S197-D199 PolarHBondContact OG-OD1 3.09Å; S197-G200 PolarHBondContact O-N 2.93Å; S197-T201 PolarHBondContact N-O 3.44Å; S197-T201 VanDerWaalsContact OG-CB 3.3Å; S197-T201 WeakPolarHBondContact OG-CB 3.31Å; S197-T201 PolarHBondContact OG-O 2.63Å
198	P	35.1	Very low	37.6	Very low	80 Å²	80	59.7 Å²	59.7	52%	0.519	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.3	-172.2	-26.1	36.6	0	0	0	115.6	P302	P198-P302 WeakPolarHBondContact CD-O 3.49Å; P198-P302 HydrophobicContact CG-CG 3.89Å; P198-P302 WeakPolarHBondContact CG-O 3.28Å
199	D	33.7	Very low	38	Very low	95 Å²	95	62.9 Å²	62.9	51%	0.508	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-8.4	175	47.3	41	0	0	0	113.7	S197 T201	S197-D199 PolarHBondContact O-N 2.73Å; S197-D199 VanDerWaalsContact O-N 3.09Å; S197-D199 PolarHBondContact OG-OD1 3.09Å; D199-T201 WeakPolarHBondContact OD1-CB 3.21Å; D199-T201 PolarHBondContact OD1-N 2.94Å; D199-T201 PolarHBondContact OD1-OG1 2.88Å
200	G	32.2	Very low	37.9	Very low	43 Å²	43	67.6 Å²	67.6	44%	0.443	36%	0.359	S	S	.	.	S	Bend	trans	97.5	-0.4	-177.4	0	0	0	0	0	115.1	S197 I202	S197-G200 PolarHBondContact O-N 2.93Å; G200-I202 PolarHBondContact O-N 3.09Å
201	T	35.1	Very low	37.4	Very low	32 Å²	32	67.8 Å²	67.8	20%	0.196	36%	0.363	C	S	.	.			trans	-69.6	128.6	179.5	-37.1	0	0	0	0	111	C196 S197 D199 V203 G252	C196-T201 CarbonylContact C-O 3.57Å; C196-T201 VanDerWaalsContact CA-O 3.26Å; C196-T201 WeakPolarHBondContact CA-O 3.43Å; S197-T201 PolarHBondContact N-O 3.44Å; S197-T201 VanDerWaalsContact OG-CB 3.3Å; S197-T201 WeakPolarHBondContact OG-CB 3.31Å; S197-T201 PolarHBondContact OG-O 2.63Å; D199-T201 WeakPolarHBondContact OD1-CB 3.21Å; D199-T201 PolarHBondContact OD1-N 2.94Å; D199-T201 PolarHBondContact OD1-OG1 2.88Å; T201-V203 WeakPolarHBondContact O-CG2 3.36Å; T201-V203 PolarHBondContact O-N 3.01Å; T201-G252 PolarHBondContact OG1-O 2.91Å
202	I	38.3	Very low	37	Very low	93 Å²	93	72.9 Å²	72.9	48%	0.477	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	111.7	175.1	-58.4	173.6	0	0	0	108.9	F194 G200	F194-I202 HydrophobicContact CD1-CD1 4.1Å; F194-I202 HydrophobicContact CD1-CG2 4Å; F194-I202 HydrophobicContact CE1-CD1 4.48Å; G200-I202 PolarHBondContact O-N 3.09Å
203	V	37.4	Very low	36.5	Very low	72 Å²	72	74.7 Å²	74.7	44%	0.436	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-35.9	-177.4	-171.3	0	0	0	0	111.5	Y195 T201 L286	Y195-V203 PolarHBondContact O-N 3.25Å; T201-V203 WeakPolarHBondContact O-CG2 3.36Å; T201-V203 PolarHBondContact O-N 3.01Å; V203-L286 HydrophobicContact CG1-CD1 4.15Å
204	A	39	Very low	35.9	Very low	26 Å²	26	78.3 Å²	78.3	22%	0.215	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	170	177.2	0	0	0	0	0	111.1	Y195	Y195-A204 HydrophobicContact CD2-CB 3.89Å; Y195-A204 HydrophobicContact CG-CB 4.34Å; Y195-A204 PolarHBondContact N-O 2.98Å; Y195-A204 PolarHBondContact O-N 2.89Å
205	Y	43.1	Very low	35.6	Very low	110 Å²	110	83.7 Å²	83.7	43%	0.431	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	162.7	166.5	78.8	-75.1	0	0	0	110.8	V192 T193 L224	V192-Y205 HydrophobicContact CG1-CD2 4.35Å; T193-Y205 CarbonylContact O-C 3.54Å; T193-Y205 WeakPolarHBondContact O-CA 3.44Å; T193-Y205 WeakPolarHBondContact O-CB 3.42Å; Y205-L224 HydrophobicContact CD1-CD1 4.14Å; Y205-L224 HydrophobicContact CE1-CD1 3.43Å; Y205-L224 VanDerWaalsContact CE1-CD1 3.43Å; Y205-L224 HydrophobicContact CE1-CG 4.44Å
206	S	39.6	Very low	35.2	Very low	31 Å²	31	90.6 Å²	90.6	22%	0.217	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	126.1	168.7	54.9	0	0	0	0	111.1	T193	T193-S206 PolarHBondContact N-O 3.46Å; T193-S206 PolarHBondContact O-N 2.87Å
207	E	39.4	Very low	34.8	Very low	58 Å²	58	96.5 Å²	96.5	27%	0.271	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	136.5	166.4	-168.4	171.3	179.4	0	0	107.2	Q190 K210 K227	Q190-E207 PolarHBondContact NE2-OE1 2.93Å; Q190-E207 VanDerWaalsContact NE2-OE1 3.12Å; E207-K210 PolarHBondContact O-N 3.32Å; E207-K227 IonicContact OE1-NZ 2.74Å; E207-K227 PolarHBondContact OE1-NZ 3.46Å; E207-K227 IonicContact OE2-NZ 3.17Å; E207-K227 PolarHBondContact OE2-NZ 3.47Å
208	S	43.3	Very low	34.4	Very low	73 Å²	73	104.2 Å²	104.2	51%	0.51	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	151.8	-179.8	-86.9	0	0	0	0	113.2	K191 K210	K191-S208 PolarHBondContact O-N 3.22Å; S208-K210 PolarHBondContact O-N 2.96Å
209	E	36.7	Very low	34.5	Very low	199 Å²	199	103.3 Å²	103.3	93%	0.93	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	-16.1	-172.2	-56.1	-166.4	159.6	0	0	117.9
210	K	28.5	Very low	34.5	Very low	157 Å²	157	102.6 Å²	102.6	68%	0.683	54%	0.536	S	S	*	.			trans	-139.1	102.6	177.1	-70	-171.3	-178.9	176.9	0	115.8	E207 S208 Q212	E207-K210 PolarHBondContact O-N 3.32Å; S208-K210 PolarHBondContact O-N 2.96Å; K210-Q212 PolarHBondContact O-N 2.8Å
211	I	26.3	Very low	34.6	Very low	148 Å²	148	103 Å²	103	76%	0.759	53%	0.526	S	S	*	.			trans	-74	110.3	157	-57.5	172.4	0	0	0	108	L213	I211-L213 HydrophobicContact CG2-CD1 4.39Å
212	Q	32	Very low	34.9	Very low	172 Å²	172	106.3 Å²	106.3	80%	0.804	54%	0.539	S	S	*	.			trans	-154.1	108.8	169.7	-137.9	144.7	92.3	0	0	112.2	K210	K210-Q212 PolarHBondContact O-N 2.8Å
213	L	27.2	Very low	35.1	Very low	76 Å²	76	108.2 Å²	108.2	40%	0.398	55%	0.546	S	S	.	.			trans	-86.3	166.4	167.1	-49.5	97.5	0	0	0	108.8	I211 Y290	I211-L213 HydrophobicContact CG2-CD1 4.39Å; L213-Y290 HydrophobicContact CD2-CD2 4.02Å; L213-Y290 HydrophobicContact CD2-CE2 3.35Å
214	P	30.7	Very low	35.1	Very low	81 Å²	81	107.1 Å²	107.1	53%	0.526	54%	0.537	S	S	.	.			cis	-124.1	-177.2	2.2	42	-28.3	0	0	0	114.1	Q216 Y290	P214-Q216 PolarHBondContact O-N 2.94Å; P214-Q216 VanDerWaalsContact O-N 3.12Å; P214-Y290 HydrophobicContact CB-CE1 4.15Å; P214-Y290 VanDerWaalsContact CB-OH 3.28Å; P214-Y290 WeakPolarHBondContact CB-OH 3.37Å
215	L	33.2	Very low	35.3	Very low	151 Å²	151	108.5 Å²	108.5	79%	0.791	54%	0.537	S	S	*	.			trans	-65.6	105.2	163.7	-91.4	70.8	0	0	0	110
216	Q	32.1	Very low	35.5	Very low	179 Å²	179	108.8 Å²	108.8	84%	0.836	54%	0.537	S	S	*	.			trans	-149.4	-9.1	166.9	-126.9	178.7	39.2	0	0	117.3	P214	P214-Q216 PolarHBondContact O-N 2.94Å; P214-Q216 VanDerWaalsContact O-N 3.12Å
217	E	29.5	Very low	35.7	Very low	133 Å²	133	111.6 Å²	111.6	62%	0.621	55%	0.545	S	S	*	.			trans	-113.3	132.5	173.4	-61.1	-158	150.9	0	0	112.9	S219 T220	E217-S219 WeakPolarHBondContact CB-OG 3.21Å; E217-S219 PolarHBondContact O-N 2.95Å; E217-S219 PolarHBondContact OE2-OG 3.37Å; E217-T220 PolarHBondContact O-N 3.11Å; E217-T220 PolarHBondContact O-OG1 2.9Å; E217-T220 VanDerWaalsContact O-OG1 3.09Å
218	K	30.7	Very low	35.8	Very low	179 Å²	179	111.2 Å²	111.2	78%	0.778	55%	0.545	S	S	*	.	H	α-helix	trans	-66.3	-15.6	171.9	-68.8	-172.5	172.6	-171	0	113.7	E222	K218-E222 PolarHBondContact O-N 3.35Å
219	S	35.8	Very low	36	Very low	62 Å²	62	109 Å²	109	43%	0.434	53%	0.529	S	S	.	.	H	α-helix	trans	-64.4	-42.9	176.6	58.1	0	0	0	0	112.1	E217 H223	E217-S219 WeakPolarHBondContact CB-OG 3.21Å; E217-S219 PolarHBondContact O-N 2.95Å; E217-S219 PolarHBondContact OE2-OG 3.37Å; S219-H223 PolarHBondContact O-N 3.12Å; S219-H223 VanDerWaalsContact O-N 3.1Å
220	T	34.7	Very low	36.6	Very low	80 Å²	80	105.1 Å²	105.1	49%	0.491	51%	0.514	S	S	.	.	H	α-helix	trans	-76.9	-37.9	-175.5	60	0	0	0	0	111.1	E217 E222 H223 L224	E217-T220 PolarHBondContact O-N 3.11Å; E217-T220 PolarHBondContact O-OG1 2.9Å; E217-T220 VanDerWaalsContact O-OG1 3.09Å; T220-E222 VanDerWaalsContact C-N 3.34Å; T220-E222 PolarHBondContact O-N 2.84Å; T220-H223 PolarHBondContact O-N 2.69Å; T220-L224 WeakPolarHBondContact O-CB 2.99Å; T220-L224 PolarHBondContact O-N 3.49Å
221	E	34.7	Very low	37.2	Very low	51 Å²	51	102.9 Å²	102.9	24%	0.238	51%	0.509	C	S	.	.	H	α-helix	trans	-57	-46.3	172.7	-163.6	-161	133.1	0	0	111.4	H223 L224 R225 Y249	E221-H223 VanDerWaalsContact C-N 3.34Å; E221-H223 PolarHBondContact O-N 2.85Å; E221-L224 PolarHBondContact O-N 2.88Å; E221-R225 WeakPolarHBondContact O-CB 3.26Å; E221-R225 VanDerWaalsContact O-CG 3.3Å; E221-R225 WeakPolarHBondContact O-CG 3.49Å; E221-R225 PolarHBondContact O-N 2.65Å; E221-R225 IonicContact OE1-CZ 3.68Å; E221-R225 IonicContact OE1-NE 3.32Å; E221-R225 PolarHBondContact OE1-NE 3.1Å; E221-R225 IonicContact OE1-NH2 3.75Å; E221-R225 PolarHBondContact OE1-NH2 3.33Å; E221-Y249 HydrophobicContact CG-CE2 4.47Å; E221-Y249 WeakPolarHBondContact OE2-CE2 3.28Å; E221-Y249 PolarHBondContact OE2-OH 2.68Å; E221-Y249 VanDerWaalsContact OE2-OH 3.08Å
222	E	41.6	Very low	37.9	Very low	101 Å²	101	96.2 Å²	96.2	47%	0.472	48%	0.475	S	S	.	.	H	α-helix	trans	-70.1	-30.4	178.3	-150.8	-163.6	-162.7	0	0	112.5	K218 T220 R226	K218-E222 PolarHBondContact O-N 3.35Å; T220-E222 VanDerWaalsContact C-N 3.34Å; T220-E222 PolarHBondContact O-N 2.84Å; E222-R226 VanDerWaalsContact CD-CZ 3.41Å; E222-R226 VanDerWaalsContact O-CG 3.3Å; E222-R226 WeakPolarHBondContact O-CG 3.36Å; E222-R226 PolarHBondContact O-N 2.91Å; E222-R226 IonicContact OE1-CZ 3.07Å; E222-R226 IonicContact OE1-NH1 2.9Å; E222-R226 IonicContact OE1-NH2 2.68Å; E222-R226 PolarHBondContact OE1-NH2 3.09Å; E222-R226 IonicContact OE2-CZ 3.3Å; E222-R226 IonicContact OE2-NH1 2.79Å; E222-R226 PolarHBondContact OE2-NH1 3.45Å; E222-R226 IonicContact OE2-NH2 3.77Å; E222-R226 PolarHBondContact OE2-NH2 2.98Å
223	H	42.5	Very low	38.2	Very low	133 Å²	133	89.9 Å²	89.9	62%	0.616	45%	0.453	S	S	*	.	H	α-helix	trans	-70.4	-36.5	172	-169.9	80.1	0	0	0	112.3	S219 T220 E221 R226 K227	S219-H223 PolarHBondContact O-N 3.12Å; S219-H223 VanDerWaalsContact O-N 3.1Å; T220-H223 PolarHBondContact O-N 2.69Å; E221-H223 VanDerWaalsContact C-N 3.34Å; E221-H223 PolarHBondContact O-N 2.85Å; H223-R226 PolarHBondContact O-N 3.45Å; H223-K227 PolarHBondContact O-N 3.3Å
224	L	37.1	Very low	39	Very low	49 Å²	49	88.2 Å²	88.2	26%	0.257	44%	0.444	S	S	.	.	H	α-helix	trans	-68.7	-45.8	175.2	-132	176.8	0	0	0	111	Y205 T220 E221 R226 K227 L228	Y205-L224 HydrophobicContact CD1-CD1 4.14Å; Y205-L224 HydrophobicContact CE1-CD1 3.43Å; Y205-L224 VanDerWaalsContact CE1-CD1 3.43Å; Y205-L224 HydrophobicContact CE1-CG 4.44Å; T220-L224 WeakPolarHBondContact O-CB 2.99Å; T220-L224 PolarHBondContact O-N 3.49Å; E221-L224 PolarHBondContact O-N 2.88Å; L224-R226 VanDerWaalsContact C-N 3.31Å; L224-R226 PolarHBondContact O-N 2.78Å; L224-K227 PolarHBondContact O-N 3.35Å; L224-L228 HydrophobicContact CD2-CD1 3.56Å; L224-L228 HydrophobicContact CD2-CG 3.85Å; L224-L228 WeakPolarHBondContact O-CB 3.3Å; L224-L228 WeakPolarHBondContact O-CG 3.49Å; L224-L228 PolarHBondContact O-N 3.34Å
225	R	42.3	Very low	40.1	Very low	56 Å²	56	89 Å²	89	21%	0.211	44%	0.441	C	S	.	.	H	α-helix	trans	-54.1	-46.8	171.5	-74.3	168.7	-179.5	-106.7	8	110.7	E221 T229 I245 Q246	E221-R225 WeakPolarHBondContact O-CB 3.26Å; E221-R225 VanDerWaalsContact O-CG 3.3Å; E221-R225 WeakPolarHBondContact O-CG 3.49Å; E221-R225 PolarHBondContact O-N 2.65Å; E221-R225 IonicContact OE1-CZ 3.68Å; E221-R225 IonicContact OE1-NE 3.32Å; E221-R225 PolarHBondContact OE1-NE 3.1Å; E221-R225 IonicContact OE1-NH2 3.75Å; E221-R225 PolarHBondContact OE1-NH2 3.33Å; R225-T229 WeakPolarHBondContact O-CB 3.49Å; R225-T229 PolarHBondContact O-N 3.14Å; R225-T229 PolarHBondContact O-OG1 3.31Å; R225-I245 HydrophobicContact CG-CG2 4.14Å; R225-Q246 VanDerWaalsContact CZ-OE1 3.25Å
226	R	47.1	Very low	40.8	Very low	115 Å²	115	88.3 Å²	88.3	43%	0.434	43%	0.434	S	S	.	.	H	α-helix	trans	-59.5	-62	173.3	-73.7	175.7	-173.1	106.5	1.2	111.8	E222 H223 L224 L228 T229 D230	E222-R226 VanDerWaalsContact CD-CZ 3.41Å; E222-R226 VanDerWaalsContact O-CG 3.3Å; E222-R226 WeakPolarHBondContact O-CG 3.36Å; E222-R226 PolarHBondContact O-N 2.91Å; E222-R226 IonicContact OE1-CZ 3.07Å; E222-R226 IonicContact OE1-NH1 2.9Å; E222-R226 IonicContact OE1-NH2 2.68Å; E222-R226 PolarHBondContact OE1-NH2 3.09Å; E222-R226 IonicContact OE2-CZ 3.3Å; E222-R226 IonicContact OE2-NH1 2.79Å; E222-R226 PolarHBondContact OE2-NH1 3.45Å; E222-R226 IonicContact OE2-NH2 3.77Å; E222-R226 PolarHBondContact OE2-NH2 2.98Å; H223-R226 PolarHBondContact O-N 3.45Å; L224-R226 VanDerWaalsContact C-N 3.31Å; L224-R226 PolarHBondContact O-N 2.78Å; R226-L228 VanDerWaalsContact C-N 3.27Å; R226-L228 PolarHBondContact O-N 2.78Å; R226-L228 VanDerWaalsContact O-N 3.11Å; R226-T229 CarbonylContact O-C 3.56Å; R226-T229 WeakPolarHBondContact O-CA 3.21Å; R226-T229 WeakPolarHBondContact O-CB 3.46Å; R226-T229 PolarHBondContact O-N 3.26Å; R226-D230 PolarHBondContact O-N 3.45Å; R226-D230 VanDerWaalsContact O-OD2 3.1Å
227	K	44.7	Very low	41.3	Very low	91 Å²	91	80.1 Å²	80.1	40%	0.396	40%	0.396	S	S	.	.	H	α-helix	trans	-47.5	-44.9	-180	-90.1	-164.9	175	-167.1	0	113.2	E207 H223 L224	E207-K227 IonicContact OE1-NZ 2.74Å; E207-K227 PolarHBondContact OE1-NZ 3.46Å; E207-K227 IonicContact OE2-NZ 3.17Å; E207-K227 PolarHBondContact OE2-NZ 3.47Å; H223-K227 PolarHBondContact O-N 3.3Å; L224-K227 PolarHBondContact O-N 3.35Å
228	L	42.1	Very low	42.2	Very low	50 Å²	50	75.9 Å²	75.9	26%	0.262	38%	0.375	S	S	.	.	H	α-helix	trans	-73.3	-38.2	179.4	-71.2	175.2	0	0	0	112.6	L224 R226 D230 L231 L241 I245	L224-L228 HydrophobicContact CD2-CD1 3.56Å; L224-L228 HydrophobicContact CD2-CG 3.85Å; L224-L228 WeakPolarHBondContact O-CB 3.3Å; L224-L228 WeakPolarHBondContact O-CG 3.49Å; L224-L228 PolarHBondContact O-N 3.34Å; R226-L228 VanDerWaalsContact C-N 3.27Å; R226-L228 PolarHBondContact O-N 2.78Å; R226-L228 VanDerWaalsContact O-N 3.11Å; L228-D230 VanDerWaalsContact C-N 3.32Å; L228-L231 HydrophobicContact CD2-CD1 4.35Å; L228-L231 WeakPolarHBondContact O-CB 3.43Å; L228-L231 PolarHBondContact O-N 3.05Å; L228-L241 HydrophobicContact CB-CD2 4.21Å; L228-L241 WeakPolarHBondContact O-CD2 3.32Å; L228-I245 HydrophobicContact CB-CD1 4.29Å; L228-I245 HydrophobicContact CD1-CD1 3.97Å
229	T	47.2	Very low	43.3	Very low	27 Å²	27	74.6 Å²	74.6	17%	0.166	37%	0.366	C	S	.	.	H	α-helix	trans	-66.1	-35.1	174.9	-58.7	0	0	0	0	111.3	R225 R226 L231 C232 K238	R225-T229 WeakPolarHBondContact O-CB 3.49Å; R225-T229 PolarHBondContact O-N 3.14Å; R225-T229 PolarHBondContact O-OG1 3.31Å; R226-T229 CarbonylContact O-C 3.56Å; R226-T229 WeakPolarHBondContact O-CA 3.21Å; R226-T229 WeakPolarHBondContact O-CB 3.46Å; R226-T229 PolarHBondContact O-N 3.26Å; T229-L231 PolarHBondContact O-N 3.23Å; T229-C232 WeakPolarHBondContact O-CB 3.15Å; T229-C232 PolarHBondContact O-N 2.77Å; T229-K238 HydrophobicContact CG2-CB 3.63Å; T229-K238 HydrophobicContact CG2-CD 3.8Å; T229-K238 HydrophobicContact CG2-CG 3.51Å; T229-K238 WeakPolarHBondContact O-CG 3.36Å
230	D	49.1	Very low	43.9	Very low	117 Å²	117	73.3 Å²	73.3	63%	0.626	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-14.4	178.4	-63.4	-34.1	0	0	0	113.2	R226 L228 C232	R226-D230 PolarHBondContact O-N 3.45Å; R226-D230 VanDerWaalsContact O-OD2 3.1Å; L228-D230 VanDerWaalsContact C-N 3.32Å; D230-C232 VanDerWaalsContact C-N 3.32Å
231	L	41	Very low	44.4	Very low	110 Å²	110	70.8 Å²	70.8	58%	0.576	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.9	169.7	-64.9	171.6	0	0	0	113.3	L228 T229	L228-L231 HydrophobicContact CD2-CD1 4.35Å; L228-L231 WeakPolarHBondContact O-CB 3.43Å; L228-L231 PolarHBondContact O-N 3.05Å; T229-L231 PolarHBondContact O-N 3.23Å
232	C	40.4	Very low	45.1	Very low	7 Å²	7	70.2 Å²	70.2	5%	0.047	34%	0.341	C	S	.	.			trans	-97.4	117.6	174.4	-66	0	0	0	0	109.4	T229 D230 K238	T229-C232 WeakPolarHBondContact O-CB 3.15Å; T229-C232 PolarHBondContact O-N 2.77Å; D230-C232 VanDerWaalsContact C-N 3.32Å; C232-K238 HydrophobicContact CB-CG 3.68Å; C232-K238 WeakPolarHBondContact O-CE 3.06Å; C232-K238 WeakPolarHBondContact O-CG 3.27Å
233	A	39	Very low	45.6	Very low	40 Å²	40	72.1 Å²	72.1	33%	0.331	34%	0.344	S	S	.	.			trans	-72.7	-35.1	-178.6	0	0	0	0	0	113	H263 T265	A233-H263 WeakPolarHBondContact CB-O 3.42Å; A233-T265 HydrophobicContact CB-CG2 3.75Å
234	D	43.7	Very low	45.8	Very low	41 Å²	41	66.8 Å²	66.8	22%	0.219	32%	0.319	C	S	.	.	S	Bend	trans	-97.2	145.8	-177.5	79.5	76.4	0	0	0	113.4	E236 S237 K238 T262	D234-E236 PolarHBondContact O-N 3.22Å; D234-E236 WeakPolarHBondContact OD1-CA 3.31Å; D234-E236 VanDerWaalsContact OD1-CB 3.31Å; D234-E236 WeakPolarHBondContact OD1-CB 3.38Å; D234-E236 PolarHBondContact OD1-N 2.82Å; D234-S237 PolarHBondContact O-N 2.86Å; D234-S237 PolarHBondContact OD1-N 3.4Å; D234-S237 PolarHBondContact OD1-OG 3.26Å; D234-S237 PolarHBondContact OD2-OG 2.82Å; D234-S237 VanDerWaalsContact OD2-OG 3.14Å; D234-K238 VanDerWaalsContact O-CG 3.32Å; D234-K238 WeakPolarHBondContact O-CG 3.1Å; D234-K238 PolarHBondContact O-N 3.23Å; D234-T262 VanDerWaalsContact OD2-CB 3.27Å; D234-T262 WeakPolarHBondContact OD2-CB 3.33Å; D234-T262 PolarHBondContact OD2-OG1 3.12Å
235	E	54	Low	46.2	Very low	98 Å²	98	66.2 Å²	66.2	46%	0.458	32%	0.316	S	S	.	.	H	α-helix	trans	-71	-7.5	-176.3	-69.4	-70.2	134.7	0	0	113.9	K238 R239	E235-K238 VanDerWaalsContact OE1-CD 3.23Å; E235-K238 WeakPolarHBondContact OE1-CD 3.37Å; E235-K238 WeakPolarHBondContact OE1-CE 3.13Å; E235-K238 IonicContact OE1-NZ 3.14Å; E235-K238 PolarHBondContact OE1-NZ 3.1Å; E235-R239 VanDerWaalsContact O-CG 3.25Å; E235-R239 WeakPolarHBondContact O-CG 3.39Å; E235-R239 PolarHBondContact O-N 2.77Å; E235-R239 PolarHBondContact O-NH1 2.95Å; E235-R239 IonicContact OE2-NH2 2.64Å
236	E	46.9	Very low	46.4	Very low	136 Å²	136	66.4 Å²	66.4	64%	0.636	32%	0.319	S	S	*	.	H	α-helix	trans	-85.3	-51.5	173.3	-165.2	179.2	149.1	0	0	109.5	D234 K238 R239 L240	D234-E236 PolarHBondContact O-N 3.22Å; D234-E236 WeakPolarHBondContact OD1-CA 3.31Å; D234-E236 VanDerWaalsContact OD1-CB 3.31Å; D234-E236 WeakPolarHBondContact OD1-CB 3.38Å; D234-E236 PolarHBondContact OD1-N 2.82Å; E236-K238 VanDerWaalsContact C-N 3.3Å; E236-K238 PolarHBondContact O-N 2.9Å; E236-R239 CarbonylContact O-C 3.36Å; E236-R239 PolarHBondContact O-N 3.4Å; E236-L240 HydrophobicContact CG-CD1 4.32Å; E236-L240 WeakPolarHBondContact O-CB 3.35Å; E236-L240 WeakPolarHBondContact O-CG 3.42Å; E236-L240 PolarHBondContact O-N 3.11Å
237	S	42.6	Very low	46.3	Very low	6 Å²	6	63.7 Å²	63.7	4%	0.042	31%	0.311	C	S	.	.	H	α-helix	trans	-59.9	-36.9	172.6	-65.8	0	0	0	0	112.6	D234 L240 L241 R260 T262	D234-S237 PolarHBondContact O-N 2.86Å; D234-S237 PolarHBondContact OD1-N 3.4Å; D234-S237 PolarHBondContact OD1-OG 3.26Å; D234-S237 PolarHBondContact OD2-OG 2.82Å; D234-S237 VanDerWaalsContact OD2-OG 3.14Å; S237-L240 PolarHBondContact O-N 3.07Å; S237-L241 VanDerWaalsContact O-CB 3.25Å; S237-L241 WeakPolarHBondContact O-CB 3.33Å; S237-L241 PolarHBondContact O-N 3.34Å; S237-R260 PolarHBondContact OG-O 3.2Å; S237-T262 PolarHBondContact OG-OG1 3.38Å; S237-T262 VanDerWaalsContact OG-OG1 3.07Å
238	K	49.2	Very low	45.9	Very low	45 Å²	45	61.2 Å²	61.2	20%	0.196	30%	0.304	C	S	.	.	H	α-helix	trans	-58.7	-46.6	169.6	-74.1	-177	-169.5	176.9	0	112.6	T229 C232 D234 E235 E236 A242	T229-K238 HydrophobicContact CG2-CB 3.63Å; T229-K238 HydrophobicContact CG2-CD 3.8Å; T229-K238 HydrophobicContact CG2-CG 3.51Å; T229-K238 WeakPolarHBondContact O-CG 3.36Å; C232-K238 HydrophobicContact CB-CG 3.68Å; C232-K238 WeakPolarHBondContact O-CE 3.06Å; C232-K238 WeakPolarHBondContact O-CG 3.27Å; D234-K238 VanDerWaalsContact O-CG 3.32Å; D234-K238 WeakPolarHBondContact O-CG 3.1Å; D234-K238 PolarHBondContact O-N 3.23Å; E235-K238 VanDerWaalsContact OE1-CD 3.23Å; E235-K238 WeakPolarHBondContact OE1-CD 3.37Å; E235-K238 WeakPolarHBondContact OE1-CE 3.13Å; E235-K238 IonicContact OE1-NZ 3.14Å; E235-K238 PolarHBondContact OE1-NZ 3.1Å; E236-K238 VanDerWaalsContact C-N 3.3Å; E236-K238 PolarHBondContact O-N 2.9Å; K238-A242 WeakPolarHBondContact O-CB 3.39Å; K238-A242 PolarHBondContact O-N 3.38Å
239	R	52.9	Low	45.5	Very low	152 Å²	152	65.4 Å²	65.4	57%	0.574	32%	0.317	S	S	*	.	H	α-helix	trans	-71	-35.9	179.2	-73.9	179.2	-164.7	102.9	3.7	112.2	E235 E236 R243	E235-R239 VanDerWaalsContact O-CG 3.25Å; E235-R239 WeakPolarHBondContact O-CG 3.39Å; E235-R239 PolarHBondContact O-N 2.77Å; E235-R239 PolarHBondContact O-NH1 2.95Å; E235-R239 IonicContact OE2-NH2 2.64Å; E236-R239 CarbonylContact O-C 3.36Å; E236-R239 PolarHBondContact O-N 3.4Å; R239-R243 WeakPolarHBondContact O-CB 3.31Å; R239-R243 PolarHBondContact O-N 3.44Å
240	L	48.5	Very low	45.1	Very low	35 Å²	35	70.1 Å²	70.1	18%	0.183	34%	0.337	C	S	.	.	H	α-helix	trans	-65.1	-48.9	173.8	-73.7	169	0	0	0	110.6	E236 S237 R243 H244	E236-L240 HydrophobicContact CG-CD1 4.32Å; E236-L240 WeakPolarHBondContact O-CB 3.35Å; E236-L240 WeakPolarHBondContact O-CG 3.42Å; E236-L240 PolarHBondContact O-N 3.11Å; S237-L240 PolarHBondContact O-N 3.07Å; L240-R243 PolarHBondContact O-N 2.9Å; L240-H244 VanDerWaalsContact O-CB 3.22Å; L240-H244 WeakPolarHBondContact O-CB 3.34Å; L240-H244 PolarHBondContact O-N 3.11Å
241	L	45.7	Very low	44.3	Very low	27 Å²	27	69.8 Å²	69.8	14%	0.141	34%	0.336	C	S	.	.	H	α-helix	trans	-64.6	-43.3	176.9	179.4	56.1	0	0	0	112	L228 S237 H244 I245 L259	L228-L241 HydrophobicContact CB-CD2 4.21Å; L228-L241 WeakPolarHBondContact O-CD2 3.32Å; S237-L241 VanDerWaalsContact O-CB 3.25Å; S237-L241 WeakPolarHBondContact O-CB 3.33Å; S237-L241 PolarHBondContact O-N 3.34Å; L241-H244 PolarHBondContact O-N 2.7Å; L241-I245 HydrophobicContact CD1-CD1 3.84Å; L241-I245 HydrophobicContact CD1-CG1 4.05Å; L241-I245 HydrophobicContact CG-CD1 3.92Å; L241-I245 WeakPolarHBondContact O-CB 3.28Å; L241-I245 VanDerWaalsContact O-CG1 3.27Å; L241-I245 WeakPolarHBondContact O-CG1 3.19Å; L241-I245 PolarHBondContact O-N 2.76Å; L241-L259 HydrophobicContact CB-CD1 4.19Å; L241-L259 HydrophobicContact CD1-CD1 3.94Å
242	A	50.4	Low	43.6	Very low	38 Å²	38	66.1 Å²	66.1	31%	0.314	32%	0.324	S	S	.	.	H	α-helix	trans	-64.7	-40.6	176.1	0	0	0	0	0	112.4	K238 Q246	K238-A242 WeakPolarHBondContact O-CB 3.39Å; K238-A242 PolarHBondContact O-N 3.38Å; A242-Q246 WeakPolarHBondContact O-CB 3.14Å; A242-Q246 PolarHBondContact O-N 2.97Å
243	R	51.4	Low	42.9	Very low	142 Å²	142	71.4 Å²	71.4	54%	0.536	35%	0.35	S	S	.	.	H	α-helix	trans	-64.9	-40.3	171.8	-171.7	-166.7	-66.6	157.9	-2	110.8	R239 L240 Q246 E247	R239-R243 WeakPolarHBondContact O-CB 3.31Å; R239-R243 PolarHBondContact O-N 3.44Å; L240-R243 PolarHBondContact O-N 2.9Å; R243-Q246 CarbonylContact O-C 3.57Å; R243-Q246 WeakPolarHBondContact O-CA 3.29Å; R243-Q246 VanDerWaalsContact O-CB 3.3Å; R243-Q246 WeakPolarHBondContact O-CB 3.41Å; R243-Q246 PolarHBondContact O-N 3.13Å; R243-Q246 VanDerWaalsContact O-N 3.13Å; R243-E247 WeakPolarHBondContact CD-OE1 3.45Å; R243-E247 HydrophobicContact CG-CG 4.25Å; R243-E247 VanDerWaalsContact CG-OE1 3.31Å; R243-E247 WeakPolarHBondContact CG-OE1 3.29Å; R243-E247 VanDerWaalsContact O-CG 3.3Å; R243-E247 WeakPolarHBondContact O-CG 3.4Å; R243-E247 PolarHBondContact O-N 2.68Å
244	H	46.2	Very low	42.4	Very low	20 Å²	20	70.5 Å²	70.5	9%	0.093	35%	0.345	C	S	.	.	H	α-helix	trans	-73	-36	-177.2	-154.5	58.2	0	0	0	112.7	L240 L241 Q246 E247 V248 S255 L256	L240-H244 VanDerWaalsContact O-CB 3.22Å; L240-H244 WeakPolarHBondContact O-CB 3.34Å; L240-H244 PolarHBondContact O-N 3.11Å; L241-H244 PolarHBondContact O-N 2.7Å; H244-Q246 VanDerWaalsContact C-N 3.27Å; H244-Q246 PolarHBondContact O-N 3.07Å; H244-E247 IonicContact CE1-OE2 2.69Å; H244-E247 IonicContact CG-OE2 3.3Å; H244-E247 IonicContact ND1-OE2 2.65Å; H244-E247 PolarHBondContact ND1-OE2 3Å; H244-E247 PolarHBondContact O-N 2.84Å; H244-V248 WeakPolarHBondContact O-CB 3.38Å; H244-V248 VanDerWaalsContact O-CG2 3.25Å; H244-V248 WeakPolarHBondContact O-CG2 3.4Å; H244-V248 PolarHBondContact O-N 2.98Å; H244-S255 PolarHBondContact CE1-N 3.35Å; H244-S255 VanDerWaalsContact CE1-N 3.29Å; H244-S255 PolarHBondContact CE1-O 2.66Å; H244-S255 PolarHBondContact NE2-N 2.68Å; H244-S255 PolarHBondContact NE2-O 3.38Å; H244-L256 PolarHBondContact NE2-N 2.91Å
245	I	46.8	Very low	41.7	Very low	38 Å²	38	72.1 Å²	72.1	20%	0.195	36%	0.359	C	S	.	.	H	α-helix	trans	-61.2	-39.4	167.6	-69	165.4	0	0	0	110	R225 L228 L241 Y249	R225-I245 HydrophobicContact CG-CG2 4.14Å; L228-I245 HydrophobicContact CB-CD1 4.29Å; L228-I245 HydrophobicContact CD1-CD1 3.97Å; L241-I245 HydrophobicContact CD1-CD1 3.84Å; L241-I245 HydrophobicContact CD1-CG1 4.05Å; L241-I245 HydrophobicContact CG-CD1 3.92Å; L241-I245 WeakPolarHBondContact O-CB 3.28Å; L241-I245 VanDerWaalsContact O-CG1 3.27Å; L241-I245 WeakPolarHBondContact O-CG1 3.19Å; L241-I245 PolarHBondContact O-N 2.76Å; I245-Y249 VanDerWaalsContact O-CB 3.26Å; I245-Y249 WeakPolarHBondContact O-CB 3.38Å; I245-Y249 PolarHBondContact O-N 3.19Å
246	Q	46.1	Very low	40.5	Very low	59 Å²	59	73.2 Å²	73.2	28%	0.276	37%	0.368	S	S	.	.	H	α-helix	trans	-66.3	-44	173.5	-166.1	71.1	14.6	0	0	112.1	R225 A242 R243 H244 V248 Y249 E250	R225-Q246 VanDerWaalsContact CZ-OE1 3.25Å; A242-Q246 WeakPolarHBondContact O-CB 3.14Å; A242-Q246 PolarHBondContact O-N 2.97Å; R243-Q246 CarbonylContact O-C 3.57Å; R243-Q246 WeakPolarHBondContact O-CA 3.29Å; R243-Q246 VanDerWaalsContact O-CB 3.3Å; R243-Q246 WeakPolarHBondContact O-CB 3.41Å; R243-Q246 PolarHBondContact O-N 3.13Å; R243-Q246 VanDerWaalsContact O-N 3.13Å; H244-Q246 VanDerWaalsContact C-N 3.27Å; H244-Q246 PolarHBondContact O-N 3.07Å; Q246-V248 PolarHBondContact O-N 2.97Å; Q246-Y249 PolarHBondContact O-N 2.89Å; Q246-Y249 VanDerWaalsContact O-N 3.14Å; Q246-E250 HydrophobicContact CG-CG 4.2Å; Q246-E250 PolarHBondContact NE2-OE1 2.97Å; Q246-E250 WeakPolarHBondContact O-CB 3.29Å; Q246-E250 WeakPolarHBondContact O-CG 3.37Å; Q246-E250 PolarHBondContact O-N 3.34Å
247	E	44	Very low	39.6	Very low	58 Å²	58	71.4 Å²	71.4	27%	0.271	37%	0.37	S	S	.	.	H	α-helix	trans	-61.9	-43	178.3	-74.3	162.6	-179.9	0	0	111.4	R243 H244 N251	R243-E247 WeakPolarHBondContact CD-OE1 3.45Å; R243-E247 HydrophobicContact CG-CG 4.25Å; R243-E247 VanDerWaalsContact CG-OE1 3.31Å; R243-E247 WeakPolarHBondContact CG-OE1 3.29Å; R243-E247 VanDerWaalsContact O-CG 3.3Å; R243-E247 WeakPolarHBondContact O-CG 3.4Å; R243-E247 PolarHBondContact O-N 2.68Å; H244-E247 IonicContact CE1-OE2 2.69Å; H244-E247 IonicContact CG-OE2 3.3Å; H244-E247 IonicContact ND1-OE2 2.65Å; H244-E247 PolarHBondContact ND1-OE2 3Å; H244-E247 PolarHBondContact O-N 2.84Å; E247-N251 VanDerWaalsContact O-CB 3.3Å; E247-N251 WeakPolarHBondContact O-CB 3.26Å; E247-N251 PolarHBondContact O-N 2.94Å; E247-N251 PolarHBondContact O-ND2 3.03Å
248	V	36	Very low	38.8	Very low	39 Å²	39	76.4 Å²	76.4	24%	0.236	39%	0.393	C	S	.	.	H	α-helix	trans	-59.6	-45.4	171.4	168.4	0	0	0	0	111.1	H244 Q246 G252	H244-V248 WeakPolarHBondContact O-CB 3.38Å; H244-V248 VanDerWaalsContact O-CG2 3.25Å; H244-V248 WeakPolarHBondContact O-CG2 3.4Å; H244-V248 PolarHBondContact O-N 2.98Å; Q246-V248 PolarHBondContact O-N 2.97Å; V248-G252 VanDerWaalsContact O-CA 3.28Å; V248-G252 WeakPolarHBondContact O-CA 3.23Å; V248-G252 PolarHBondContact O-N 3.33Å
249	Y	35	Very low	37.8	Very low	138 Å²	138	77.2 Å²	77.2	54%	0.541	40%	0.399	S	S	.	.	H	α-helix	trans	-70.8	-35.5	-177.3	-168.7	-81.5	0	0	0	113.1	E221 I245 Q246	E221-Y249 HydrophobicContact CG-CE2 4.47Å; E221-Y249 WeakPolarHBondContact OE2-CE2 3.28Å; E221-Y249 PolarHBondContact OE2-OH 2.68Å; E221-Y249 VanDerWaalsContact OE2-OH 3.08Å; I245-Y249 VanDerWaalsContact O-CB 3.26Å; I245-Y249 WeakPolarHBondContact O-CB 3.38Å; I245-Y249 PolarHBondContact O-N 3.19Å; Q246-Y249 PolarHBondContact O-N 2.89Å; Q246-Y249 VanDerWaalsContact O-N 3.14Å
250	E	37.2	Very low	36.6	Very low	126 Å²	126	77.1 Å²	77.1	59%	0.589	40%	0.399	S	S	*	.	H	α-helix	trans	-87	-36.4	-177.5	-71.9	178.8	165.5	0	0	113.3	Q246	Q246-E250 HydrophobicContact CG-CG 4.2Å; Q246-E250 PolarHBondContact NE2-OE1 2.97Å; Q246-E250 WeakPolarHBondContact O-CB 3.29Å; Q246-E250 WeakPolarHBondContact O-CG 3.37Å; Q246-E250 PolarHBondContact O-N 3.34Å
251	N	34.2	Very low	35.6	Very low	111 Å²	111	78.6 Å²	78.6	59%	0.594	41%	0.406	S	S	*	.	H	α-helix	trans	-112	-6.8	-171.1	-51.4	-84.1	0	0	0	113.6	E247 I253	E247-N251 VanDerWaalsContact O-CB 3.3Å; E247-N251 WeakPolarHBondContact O-CB 3.26Å; E247-N251 PolarHBondContact O-N 2.94Å; E247-N251 PolarHBondContact O-ND2 3.03Å; N251-I253 PolarHBondContact O-N 3.03Å; N251-I253 VanDerWaalsContact O-N 3.16Å
252	G	25.5	Very low	34.6	Very low	32 Å²	32	79.1 Å²	79.1	33%	0.33	41%	0.411	S	S	.	.	S	Bend	trans	67.5	7.8	-179.1	0	0	0	0	0	114.9	T201 V248	T201-G252 PolarHBondContact OG1-O 2.91Å; V248-G252 VanDerWaalsContact O-CA 3.28Å; V248-G252 WeakPolarHBondContact O-CA 3.23Å; V248-G252 PolarHBondContact O-N 3.33Å
253	I	26.4	Very low	33.5	Very low	118 Å²	118	82.7 Å²	82.7	61%	0.605	42%	0.421	S	S	*	.			trans	-143.2	124.2	-179.6	-56.3	178.9	0	0	0	108.6	N251	N251-I253 PolarHBondContact O-N 3.03Å; N251-I253 VanDerWaalsContact O-N 3.16Å
254	G	28.5	Very low	32.4	Very low	21 Å²	21	77.8 Å²	77.8	22%	0.216	41%	0.408	C	S	.	.			trans	-124.7	115.1	175.3	0	0	0	0	0	112.5
255	S	27.6	Very low	31.3	Very low	75 Å²	75	81.7 Å²	81.7	52%	0.524	43%	0.433	S	S	.	.			trans	-87.6	105.9	169.9	-174.7	0	0	0	0	111.3	H244 S257	H244-S255 PolarHBondContact CE1-N 3.35Å; H244-S255 VanDerWaalsContact CE1-N 3.29Å; H244-S255 PolarHBondContact CE1-O 2.66Å; H244-S255 PolarHBondContact NE2-N 2.68Å; H244-S255 PolarHBondContact NE2-O 3.38Å; S255-S257 PolarHBondContact O-N 2.88Å; S255-S257 PolarHBondContact O-OG 3.26Å; S255-S257 WeakPolarHBondContact OG-CB 3.38Å; S255-S257 PolarHBondContact OG-OG 3.27Å
256	L	29.1	Very low	30.5	Very low	122 Å²	122	85.8 Å²	85.8	64%	0.639	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-59.7	6.8	175.5	-76.4	168.1	0	0	0	115.4	H244 Q258 L259	H244-L256 PolarHBondContact NE2-N 2.91Å; L256-Q258 PolarHBondContact O-N 3.2Å; L256-L259 HydrophobicContact CD2-CB 4.22Å; L256-L259 HydrophobicContact CD2-CD2 4.23Å; L256-L259 PolarHBondContact O-N 2.93Å; L256-L259 VanDerWaalsContact O-N 3.1Å
257	S	27.5	Very low	29.6	Very low	97 Å²	97	91.6 Å²	91.6	68%	0.678	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-60	-13.2	179.5	53.8	0	0	0	0	115.1	S255	S255-S257 PolarHBondContact O-N 2.88Å; S255-S257 PolarHBondContact O-OG 3.26Å; S255-S257 WeakPolarHBondContact OG-CB 3.38Å; S255-S257 PolarHBondContact OG-OG 3.27Å
258	Q	27.2	Very low	28.8	Very low	111 Å²	111	90.7 Å²	90.7	52%	0.519	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-105	-2.4	176.3	-59.7	-170.2	18.4	0	0	114.6	L256 R260	L256-Q258 PolarHBondContact O-N 3.2Å; Q258-R260 VanDerWaalsContact C-N 3.32Å; Q258-R260 PolarHBondContact O-N 2.88Å
259	L	27.9	Very low	28.5	Very low	63 Å²	63	95.3 Å²	95.3	33%	0.33	50%	0.499	S	S	.	.			trans	-78.1	75.1	-173	-158.6	86.4	0	0	0	113.1	L241 L256 L261	L241-L259 HydrophobicContact CB-CD1 4.19Å; L241-L259 HydrophobicContact CD1-CD1 3.94Å; L256-L259 HydrophobicContact CD2-CB 4.22Å; L256-L259 HydrophobicContact CD2-CD2 4.23Å; L256-L259 PolarHBondContact O-N 2.93Å; L256-L259 VanDerWaalsContact O-N 3.1Å; L259-L261 HydrophobicContact CD2-CD2 4.14Å; L259-L261 HydrophobicContact CD2-CG 4.2Å; L259-L261 PolarHBondContact O-N 3.41Å; L259-L261 VanDerWaalsContact O-N 3.09Å
260	R	26.7	Very low	28.3	Very low	150 Å²	150	91.4 Å²	91.4	57%	0.566	49%	0.486	S	S	*	.			trans	-69.5	100.9	165.8	-76	-175.3	172.1	175.3	-0.7	109.9	S237 Q258 T262	S237-R260 PolarHBondContact OG-O 3.2Å; Q258-R260 VanDerWaalsContact C-N 3.32Å; Q258-R260 PolarHBondContact O-N 2.88Å; R260-T262 PolarHBondContact O-N 2.82Å; R260-T262 PolarHBondContact O-OG1 3.5Å
261	L	27.8	Very low	28.2	Very low	65 Å²	65	87 Å²	87	34%	0.34	46%	0.464	S	S	.	.			trans	-73.2	79.3	165.2	-69	176	0	0	0	109.6	R154 L259	R154-L261 PolarHBondContact NH1-O 3.39Å; R154-L261 PolarHBondContact NH2-O 2.92Å; L259-L261 HydrophobicContact CD2-CD2 4.14Å; L259-L261 HydrophobicContact CD2-CG 4.2Å; L259-L261 PolarHBondContact O-N 3.41Å; L259-L261 VanDerWaalsContact O-N 3.09Å
262	T	25.4	Very low	28.1	Very low	39 Å²	39	82.6 Å²	82.6	24%	0.239	44%	0.441	C	S	.	.			trans	-82.9	138.3	172.4	19.5	0	0	0	0	111.2	D234 S237 R260	D234-T262 VanDerWaalsContact OD2-CB 3.27Å; D234-T262 WeakPolarHBondContact OD2-CB 3.33Å; D234-T262 PolarHBondContact OD2-OG1 3.12Å; S237-T262 PolarHBondContact OG-OG1 3.38Å; S237-T262 VanDerWaalsContact OG-OG1 3.07Å; R260-T262 PolarHBondContact O-N 2.82Å; R260-T262 PolarHBondContact O-OG1 3.5Å
263	H	26.5	Very low	28.3	Very low	112 Å²	112	81.8 Å²	81.8	52%	0.519	43%	0.429	S	S	.	.			trans	49.6	52.3	169.1	-58.1	69.1	0	0	0	116.9	A233 T265	A233-H263 WeakPolarHBondContact CB-O 3.42Å; H263-T265 PolarHBondContact O-N 3.12Å
264	P	28.2	Very low	28.9	Very low	40 Å²	40	79.3 Å²	79.3	26%	0.26	41%	0.414	S	S	.	.			trans	-60.6	105.9	173.6	26.8	-34.4	0	0	0	111.3	F266	P264-F266 HydrophobicContact CB-CD2 4.1Å; P264-F266 HydrophobicContact CB-CE2 3.98Å; P264-F266 PolarHBondContact O-N 3.04Å
265	T	24.1	Very low	29	Very low	102 Å²	102	78.5 Å²	78.5	63%	0.626	41%	0.406	S	S	*	.			trans	-79.8	99.3	-173.2	46.7	0	0	0	0	112.2	A233 H263	A233-T265 HydrophobicContact CB-CG2 3.75Å; H263-T265 PolarHBondContact O-N 3.12Å
266	F	28.8	Very low	29.4	Very low	124 Å²	124	76.5 Å²	76.5	54%	0.544	39%	0.394	S	S	.	.			trans	-122.8	134.7	175.2	-72.6	-86.7	0	0	0	111.8	P264 G268 L272	P264-F266 HydrophobicContact CB-CD2 4.1Å; P264-F266 HydrophobicContact CB-CE2 3.98Å; P264-F266 PolarHBondContact O-N 3.04Å; F266-G268 PolarHBondContact O-N 3.23Å; F266-L272 HydrophobicContact CD2-CD2 4.4Å; F266-L272 HydrophobicContact CE2-CD2 4.3Å
267	H	28.3	Very low	29.6	Very low	181 Å²	181	71 Å²	71	84%	0.838	37%	0.365	S	S	*	.			trans	-79.6	99.4	177.2	-81.9	-85	0	0	0	111.4
268	G	28	Very low	29.9	Very low	39 Å²	39	69.4 Å²	69.4	40%	0.402	35%	0.354	S	S	.	.	S	Bend	trans	-178.7	165.6	173.5	0	0	0	0	0	113.6	F266 E270	F266-G268 PolarHBondContact O-N 3.23Å; G268-E270 VanDerWaalsContact C-N 3.29Å
269	K	28.8	Very low	30.1	Very low	135 Å²	135	69.7 Å²	69.7	59%	0.587	35%	0.35	S	S	*	.	S	Bend	trans	-99	30.9	173.8	-73.4	-179.4	174.5	-95.7	0	111.3	E158	E158-K269 IonicContact OE1-NZ 2.74Å; E158-K269 PolarHBondContact OE1-NZ 3.1Å; E158-K269 IonicContact OE2-NZ 2.68Å; E158-K269 PolarHBondContact OE2-NZ 2.95Å
270	E	30.9	Very low	30.2	Very low	57 Å²	57	73 Å²	73	27%	0.266	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.5	-162.5	-75.9	140.1	125.3	0	0	111	C156 G268 L312 V313 N314	C156-E270 PolarHBondContact SG-O 2.91Å; C156-E270 VanDerWaalsContact SG-O 3.38Å; G268-E270 VanDerWaalsContact C-N 3.29Å; E270-L312 HydrophobicContact CB-CB 4.07Å; E270-L312 HydrophobicContact CB-CD2 4.04Å; E270-L312 HydrophobicContact CB-CG 3.77Å; E270-L312 HydrophobicContact CG-CD2 4.47Å; E270-V313 CarbonylContact C-O 3.46Å; E270-V313 VanDerWaalsContact CA-O 3.25Å; E270-V313 WeakPolarHBondContact CA-O 3.47Å; E270-V313 WeakPolarHBondContact CB-O 3.35Å; E270-N314 HydrophobicContact CG-CB 4.42Å; E270-N314 PolarHBondContact OE1-ND2 3.43Å
271	W	34.3	Very low	30.4	Very low	33 Å²	33	67 Å²	67	13%	0.125	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	150.5	178.6	-55.5	70.1	0	0	0	110.1	Y109 V153 R155 L312 V313	Y109-W271 AromaticContact CD1-CH2 3.94Å; Y109-W271 HydrophobicContact CD1-CH2 3.94Å; Y109-W271 AromaticContact CD1-CZ3 3.84Å; Y109-W271 HydrophobicContact CD1-CZ3 3.84Å; Y109-W271 HydrophobicContact CG-CH2 4.34Å; Y109-W271 HydrophobicContact CG-CZ3 4.31Å; V153-W271 HydrophobicContact CG1-CB 4.45Å; V153-W271 HydrophobicContact CG1-CE3 3.97Å; R155-W271 HydrophobicContact CB-CE3 3.98Å; R155-W271 HydrophobicContact CB-CH2 4.2Å; R155-W271 HydrophobicContact CB-CZ3 3.68Å; R155-W271 HydrophobicContact CG-CH2 4.26Å; R155-W271 HydrophobicContact CG-CZ3 4.21Å; W271-L312 CarbonylContact O-C 3.49Å; W271-L312 VanDerWaalsContact O-CA 3.3Å; W271-L312 WeakPolarHBondContact O-CA 3.4Å; W271-V313 HydrophobicContact CB-CB 4.24Å; W271-V313 PolarHBondContact N-O 3.03Å; W271-V313 PolarHBondContact O-N 2.94Å
272	L	32.2	Very low	30.5	Very low	19 Å²	19	69.9 Å²	69.9	10%	0.099	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.8	173.8	-160.7	67.8	0	0	0	110.7	R154 F266 F274 A310 F311 L312	R154-L272 PolarHBondContact N-O 2.9Å; R154-L272 PolarHBondContact O-N 3.1Å; F266-L272 HydrophobicContact CD2-CD2 4.4Å; F266-L272 HydrophobicContact CE2-CD2 4.3Å; L272-F274 HydrophobicContact CD2-CE1 4.25Å; L272-F274 HydrophobicContact CD2-CE2 3.74Å; L272-F274 HydrophobicContact CD2-CZ 3.52Å; L272-F274 HydrophobicContact CG-CE2 4.16Å; L272-F274 HydrophobicContact CG-CZ 4.34Å; L272-A310 HydrophobicContact CD1-CB 4.37Å; L272-F311 WeakPolarHBondContact CA-O 3.25Å; L272-L312 HydrophobicContact CD1-CD1 4.01Å
273	V	30.4	Very low	30.7	Very low	15 Å²	15	75.3 Å²	75.3	9%	0.091	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120	171.7	-176.2	0	0	0	0	109.1	C151 V153 A310 F311 V313	C151-V273 HydrophobicContact CB-CG1 4.42Å; V153-V273 HydrophobicContact CG1-CG2 4.23Å; V153-V273 HydrophobicContact CG2-CG1 4.33Å; V153-V273 HydrophobicContact CG2-CG2 4.1Å; V273-A310 WeakPolarHBondContact O-CA 3.47Å; V273-F311 HydrophobicContact CB-CB 4.3Å; V273-F311 PolarHBondContact N-O 2.62Å; V273-F311 PolarHBondContact O-N 3.24Å; V273-V313 HydrophobicContact CG2-CG2 3.63Å
274	F	38.9	Very low	31	Very low	66 Å²	66	72.8 Å²	72.8	29%	0.289	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	115.1	167	-63	-94	0	0	0	108.7	C151 I152 L272	C151-F274 WeakPolarHBondContact CA-O 3.33Å; I152-F274 PolarHBondContact N-O 3.07Å; I152-F274 PolarHBondContact O-N 3.5Å; L272-F274 HydrophobicContact CD2-CE1 4.25Å; L272-F274 HydrophobicContact CD2-CE2 3.74Å; L272-F274 HydrophobicContact CD2-CZ 3.52Å; L272-F274 HydrophobicContact CG-CE2 4.16Å; L272-F274 HydrophobicContact CG-CZ 4.34Å
275	G	30.8	Very low	31.4	Very low	4 Å²	4	75.4 Å²	75.4	4%	0.041	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127	169.8	0	0	0	0	0	110.6	N309	G275-N309 PolarHBondContact N-O 2.92Å; G275-N309 PolarHBondContact O-N 3.05Å
276	A	35.5	Very low	31.8	Very low	33 Å²	33	72.6 Å²	72.6	27%	0.273	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117.2	173.3	0	0	0	0	0	110.2	V150 E307	V150-A276 PolarHBondContact O-N 3.13Å; V150-A276 VanDerWaalsContact O-N 3.13Å; A276-E307 WeakPolarHBondContact CA-O 3.3Å
277	L	33.8	Very low	32	Very low	7 Å²	7	70.4 Å²	70.4	4%	0.037	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	115.4	170.7	-88.1	172.9	0	0	0	109.5	P139 L149 E307	P139-L277 HydrophobicContact CG-CD2 3.98Å; L149-L277 HydrophobicContact CD1-CD2 4.03Å; L149-L277 HydrophobicContact CD1-CG 3.93Å; L277-E307 HydrophobicContact CB-CB 4.11Å; L277-E307 PolarHBondContact N-O 2.93Å; L277-E307 PolarHBondContact O-N 2.93Å
278	S	33.8	Very low	32.3	Very low	62 Å²	62	71 Å²	71	43%	0.434	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	111.3	168.3	61	0	0	0	0	110.2
279	R	31.8	Very low	32.5	Very low	117 Å²	117	72.5 Å²	72.5	44%	0.442	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.2	168.6	-66.2	-179.7	176.9	-149	-5.2	109.3	S281 Q305	R279-S281 PolarHBondContact O-N 3.46Å; R279-Q305 HydrophobicContact CB-CB 4.19Å; R279-Q305 PolarHBondContact N-O 2.96Å; R279-Q305 PolarHBondContact O-N 3.02Å
280	L	28.7	Very low	32.4	Very low	133 Å²	133	71.7 Å²	71.7	70%	0.696	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	99.4	165.1	-79	164.2	0	0	0	107.7	S282 V304	L280-S282 PolarHBondContact O-N 3.3Å; L280-V304 HydrophobicContact CD2-CG2 4.25Å
281	S	32	Very low	32.2	Very low	24 Å²	24	71.8 Å²	71.8	17%	0.168	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	108.7	172.9	62.7	0	0	0	0	109.4	R279 E283 V303	R279-S281 PolarHBondContact O-N 3.46Å; S281-E283 PolarHBondContact O-N 2.94Å; S281-E283 PolarHBondContact OG-O 2.86Å; S281-V303 PolarHBondContact N-O 3.34Å; S281-V303 PolarHBondContact OG-O 3.47Å
282	S	30.2	Very low	31.8	Very low	126 Å²	126	76.3 Å²	76.3	88%	0.881	44%	0.435	S	S	*	.			trans	-68.5	-12	164.2	52.1	0	0	0	0	112.6	L280	L280-S282 PolarHBondContact O-N 3.3Å
283	E	29.8	Very low	31.8	Very low	153 Å²	153	84.1 Å²	84.1	72%	0.715	47%	0.473	S	S	*	.	S	Bend	trans	-94.8	129	176.4	-63.7	-178	154.9	0	0	110.5	S281 I285	S281-E283 PolarHBondContact O-N 2.94Å; S281-E283 PolarHBondContact OG-O 2.86Å; E283-I285 PolarHBondContact O-N 2.9Å; E283-I285 VanDerWaalsContact O-N 3.14Å
284	S	32	Very low	31.7	Very low	58 Å²	58	93.5 Å²	93.5	41%	0.406	51%	0.513	S	S	.	.			trans	-79.7	90.6	178.2	165.3	0	0	0	0	110.4	L286 S287	S284-L286 PolarHBondContact O-N 2.68Å; S284-S287 WeakPolarHBondContact CB-OG 3.34Å; S284-S287 PolarHBondContact O-N 3.06Å; S284-S287 PolarHBondContact O-OG 2.74Å; S284-S287 VanDerWaalsContact OG-CB 3.26Å; S284-S287 WeakPolarHBondContact OG-CB 3.42Å; S284-S287 PolarHBondContact OG-N 3.07Å; S284-S287 PolarHBondContact OG-OG 2.97Å
285	I	36.1	Very low	31.3	Very low	96 Å²	96	93.5 Å²	93.5	49%	0.492	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.5	176.7	-58	174.5	0	0	0	111.6	Y195 E283	Y195-I285 HydrophobicContact CE1-CD1 4.48Å; E283-I285 PolarHBondContact O-N 2.9Å; E283-I285 VanDerWaalsContact O-N 3.14Å
286	L	32.8	Very low	31.3	Very low	42 Å²	42	99.1 Å²	99.1	22%	0.22	56%	0.56	C	S	.	*	T	Hydrogen-bonded Turn	trans	-87.1	-9.9	-178.5	-63.2	177.1	0	0	0	115	V203 S284 E288 V303	V203-L286 HydrophobicContact CG1-CD1 4.15Å; S284-L286 PolarHBondContact O-N 2.68Å; L286-E288 PolarHBondContact O-N 3.4Å; L286-V303 HydrophobicContact CD1-CG2 4.49Å
287	S	33.9	Very low	31.3	Very low	79 Å²	79	105 Å²	105	55%	0.552	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-5.7	-171	39.5	0	0	0	0	116.4	S284	S284-S287 WeakPolarHBondContact CB-OG 3.34Å; S284-S287 PolarHBondContact O-N 3.06Å; S284-S287 PolarHBondContact O-OG 2.74Å; S284-S287 VanDerWaalsContact OG-CB 3.26Å; S284-S287 WeakPolarHBondContact OG-CB 3.42Å; S284-S287 PolarHBondContact OG-N 3.07Å; S284-S287 PolarHBondContact OG-OG 2.97Å
288	E	32.8	Very low	31	Very low	194 Å²	194	109.1 Å²	109.1	91%	0.907	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	-11.8	178.7	-63.6	-162.4	142.8	0	0	114.4	L286	L286-E288 PolarHBondContact O-N 3.4Å
289	S	32.3	Very low	30.9	Very low	70 Å²	70	110 Å²	110	49%	0.49	64%	0.642	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.5	-20.9	-175.3	55.5	0	0	0	0	115.3
290	Y	27.1	Very low	31	Very low	117 Å²	117	110.2 Å²	110.2	46%	0.459	66%	0.657	S	S	.	*	S	Bend	trans	-106.2	112.9	165.9	-75.6	-67	0	0	0	110.7	L213 P214	L213-Y290 HydrophobicContact CD2-CD2 4.02Å; L213-Y290 HydrophobicContact CD2-CE2 3.35Å; P214-Y290 HydrophobicContact CB-CE1 4.15Å; P214-Y290 VanDerWaalsContact CB-OH 3.28Å; P214-Y290 WeakPolarHBondContact CB-OH 3.37Å
291	G	26.3	Very low	31.1	Very low	59 Å²	59	109.1 Å²	109.1	61%	0.608	65%	0.652	S	S	*	*			trans	-60.8	154	167.6	0	0	0	0	0	111.4	M293	G291-M293 PolarHBondContact O-N 3.14Å
292	P	26.8	Very low	30.9	Very low	129 Å²	129	111.7 Å²	111.7	84%	0.838	67%	0.668	S	S	*	*			trans	-63.8	105.9	-168.5	25.1	-34.9	0	0	0	112	K294	P292-K294 PolarHBondContact O-N 3.36Å
293	M	32.1	Very low	30.9	Very low	183 Å²	183	106.8 Å²	106.8	90%	0.901	63%	0.633	S	S	*	*			trans	-62.6	124.8	165.5	-85.6	-66.8	171.5	0	0	108.9	G291 G295	G291-M293 PolarHBondContact O-N 3.14Å; M293-G295 PolarHBondContact O-N 2.82Å
294	K	27.7	Very low	30.9	Very low	212 Å²	212	101.4 Å²	101.4	92%	0.922	61%	0.61	S	S	*	*			trans	-75.8	87.7	-173.7	-68.7	-178.7	177.9	178	0	111.5	P292	P292-K294 PolarHBondContact O-N 3.36Å
295	G	31.9	Very low	31	Very low	66 Å²	66	100 Å²	100	68%	0.68	60%	0.597	S	S	*	*			trans	-107.1	150.9	149.5	0	0	0	0	0	109.6	M293	M293-G295 PolarHBondContact O-N 2.82Å
296	D	30.1	Very low	30.9	Very low	121 Å²	121	97.9 Å²	97.9	65%	0.647	59%	0.586	S	S	*	*	S	Bend	trans	-69.4	164.8	166.7	-83.1	-61.9	0	0	0	110.8	H572	D296-H572 IonicContact OD1-CE1 3.72Å; D296-H572 IonicContact OD2-CE1 3.88Å; D296-H572 PolarHBondContact OD2-CE1 3.4Å; D296-H572 IonicContact OD2-NE2 2.7Å
297	D	35.3	Very low	31.1	Very low	157 Å²	157	96.8 Å²	96.8	84%	0.84	58%	0.58	S	S	*	*	S	Bend	trans	63.9	83.8	179.9	-60.9	-27.3	0	0	0	115.7	A299	D297-A299 PolarHBondContact O-N 3.04Å
298	G	28.4	Very low	31.3	Very low	94 Å²	94	97.3 Å²	97.3	97%	0.969	57%	0.573	S	S	*	*			trans	-73.2	79.6	-179.3	0	0	0	0	0	114.9
299	A	29.9	Very low	31.5	Very low	79 Å²	79	89 Å²	89	65%	0.653	54%	0.535	S	S	*	.			trans	-105.1	116.9	162.6	0	0	0	0	0	110.6	D297 N301	D297-A299 PolarHBondContact O-N 3.04Å; A299-N301 PolarHBondContact O-N 3.18Å; A299-N301 VanDerWaalsContact O-N 3.11Å
300	T	35.4	Very low	31.5	Very low	122 Å²	122	87.7 Å²	87.7	75%	0.748	53%	0.528	S	S	*	.			trans	-73.5	100.4	171	48.5	0	0	0	0	109.4
301	N	30.2	Very low	31.8	Very low	110 Å²	110	84.4 Å²	84.4	59%	0.588	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-55.8	127.5	176	-77.1	-20.1	0	0	0	110.4	A299 V303	A299-N301 PolarHBondContact O-N 3.18Å; A299-N301 VanDerWaalsContact O-N 3.11Å; N301-V303 PolarHBondContact O-N 3.16Å
302	P	28.3	Very low	32.1	Very low	78 Å²	78	86.5 Å²	86.5	51%	0.506	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-66.4	131.3	179.2	24.5	-30.3	0	0	0	110.1	P198	P198-P302 WeakPolarHBondContact CD-O 3.49Å; P198-P302 HydrophobicContact CG-CG 3.89Å; P198-P302 WeakPolarHBondContact CG-O 3.28Å
303	V	29.8	Very low	32.4	Very low	24 Å²	24	83 Å²	83	15%	0.145	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.9	-177.7	-179.9	0	0	0	0	109.3	Y195 C196 S281 L286 N301	Y195-V303 HydrophobicContact CD1-CG1 3.95Å; Y195-V303 HydrophobicContact CG-CG1 4.37Å; C196-V303 CarbonylContact O-C 3.54Å; C196-V303 WeakPolarHBondContact O-CA 3.46Å; S281-V303 PolarHBondContact N-O 3.34Å; S281-V303 PolarHBondContact OG-O 3.47Å; L286-V303 HydrophobicContact CD1-CG2 4.49Å; N301-V303 PolarHBondContact O-N 3.16Å
304	V	29.7	Very low	32.5	Very low	40 Å²	40	79.2 Å²	79.2	24%	0.242	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	115	170.4	-176.2	0	0	0	0	107.9	C196 L280 L306	C196-V304 PolarHBondContact N-O 3.16Å; C196-V304 PolarHBondContact O-N 3.01Å; L280-V304 HydrophobicContact CD2-CG2 4.25Å; V304-L306 HydrophobicContact CG1-CD2 4Å; V304-L306 HydrophobicContact CG1-CG 4.28Å
305	Q	35	Very low	32.8	Very low	29 Å²	29	74.7 Å²	74.7	14%	0.136	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	118.5	170.2	-175.9	-174.5	15.9	0	0	108.6	T193 R279	T193-Q305 HydrophobicContact CG2-CG 3.56Å; R279-Q305 HydrophobicContact CB-CB 4.19Å; R279-Q305 PolarHBondContact N-O 2.96Å; R279-Q305 PolarHBondContact O-N 3.02Å
306	L	34	Very low	32.8	Very low	50 Å²	50	78.4 Å²	78.4	26%	0.262	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	111.5	171.2	-63.9	178.7	0	0	0	109	F194 V304 F308	F194-L306 HydrophobicContact CB-CB 4.45Å; F194-L306 PolarHBondContact N-O 3.3Å; F194-L306 PolarHBondContact O-N 3.47Å; V304-L306 HydrophobicContact CG1-CD2 4Å; V304-L306 HydrophobicContact CG1-CG 4.28Å; L306-F308 HydrophobicContact CB-CE2 3.89Å
307	E	36.1	Very low	32.8	Very low	19 Å²	19	80.1 Å²	80.1	9%	0.089	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	116.2	174.9	166	169.5	-178.6	0	0	109.9	K191 A276 L277 N309	K191-E307 VanDerWaalsContact CE-OE1 3.28Å; K191-E307 WeakPolarHBondContact CE-OE1 3.4Å; K191-E307 WeakPolarHBondContact CE-OE2 3.39Å; K191-E307 IonicContact NZ-OE1 2.66Å; K191-E307 PolarHBondContact NZ-OE1 3.18Å; K191-E307 IonicContact NZ-OE2 3.67Å; K191-E307 PolarHBondContact NZ-OE2 3.45Å; A276-E307 WeakPolarHBondContact CA-O 3.3Å; L277-E307 HydrophobicContact CB-CB 4.11Å; L277-E307 PolarHBondContact N-O 2.93Å; L277-E307 PolarHBondContact O-N 2.93Å; E307-N309 WeakPolarHBondContact CG-ND2 3.26Å; E307-N309 PolarHBondContact OE1-ND2 2.88Å
308	F	38.8	Very low	32.5	Very low	91 Å²	91	78.4 Å²	78.4	40%	0.399	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	128.1	176.6	-66.1	-92.7	0	0	0	110.5	F194 L306	F194-F308 AromaticContact CD2-CD2 3.64Å; F194-F308 HydrophobicContact CD2-CD2 3.64Å; F194-F308 AromaticContact CD2-CE2 3.59Å; F194-F308 HydrophobicContact CD2-CE2 3.59Å; F194-F308 AromaticContact CE2-CD2 3.89Å; F194-F308 HydrophobicContact CE2-CD2 3.89Å; F194-F308 HydrophobicContact CE2-CE2 4.01Å; L306-F308 HydrophobicContact CB-CE2 3.89Å
309	N	36.2	Very low	32.5	Very low	20 Å²	20	80.4 Å²	80.4	11%	0.107	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140.3	172.7	-72.5	-67	0	0	0	110.4	L137 G275 E307 F311	L137-N309 HydrophobicContact CD2-CB 4.2Å; G275-N309 PolarHBondContact N-O 2.92Å; G275-N309 PolarHBondContact O-N 3.05Å; E307-N309 WeakPolarHBondContact CG-ND2 3.26Å; E307-N309 PolarHBondContact OE1-ND2 2.88Å; N309-F311 HydrophobicContact CB-CE2 3.49Å; N309-F311 VanDerWaalsContact CB-CE2 3.49Å; N309-F311 HydrophobicContact CB-CZ 3.67Å
310	A	32.4	Very low	32.2	Very low	42 Å²	42	80 Å²	80	35%	0.347	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.4	-177.5	0	0	0	0	0	111.2	L272 V273	L272-A310 HydrophobicContact CD1-CB 4.37Å; V273-A310 WeakPolarHBondContact O-CA 3.47Å
311	F	34.2	Very low	31.7	Very low	48 Å²	48	80.5 Å²	80.5	21%	0.211	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.6	-176.1	-56.2	-85.1	0	0	0	112.7	L137 L272 V273 N309	L137-F311 HydrophobicContact CD1-CD2 4.21Å; L137-F311 HydrophobicContact CD1-CE1 4.31Å; L137-F311 HydrophobicContact CD1-CE2 3.34Å; L137-F311 HydrophobicContact CD1-CZ 3.43Å; L137-F311 VanDerWaalsContact CD1-CZ 3.43Å; L137-F311 HydrophobicContact CD2-CE2 4.14Å; L137-F311 HydrophobicContact CD2-CZ 3.73Å; L137-F311 HydrophobicContact CG-CE2 4.36Å; L137-F311 HydrophobicContact CG-CZ 4.11Å; L272-F311 WeakPolarHBondContact CA-O 3.25Å; V273-F311 HydrophobicContact CB-CB 4.3Å; V273-F311 PolarHBondContact N-O 2.62Å; V273-F311 PolarHBondContact O-N 3.24Å; N309-F311 HydrophobicContact CB-CE2 3.49Å; N309-F311 VanDerWaalsContact CB-CE2 3.49Å; N309-F311 HydrophobicContact CB-CZ 3.67Å
312	L	31.5	Very low	31.3	Very low	102 Å²	102	83.9 Å²	83.9	53%	0.534	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	138.6	164.2	-96.8	61.5	0	0	0	110.1	E270 W271 L272	E270-L312 HydrophobicContact CB-CB 4.07Å; E270-L312 HydrophobicContact CB-CD2 4.04Å; E270-L312 HydrophobicContact CB-CG 3.77Å; E270-L312 HydrophobicContact CG-CD2 4.47Å; W271-L312 CarbonylContact O-C 3.49Å; W271-L312 VanDerWaalsContact O-CA 3.3Å; W271-L312 WeakPolarHBondContact O-CA 3.4Å; L272-L312 HydrophobicContact CD1-CD1 4.01Å
313	V	32.7	Very low	31.2	Very low	56 Å²	56	86.7 Å²	86.7	34%	0.339	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.3	172	-171.2	0	0	0	0	109.8	E270 W271 V273	E270-V313 CarbonylContact C-O 3.46Å; E270-V313 VanDerWaalsContact CA-O 3.25Å; E270-V313 WeakPolarHBondContact CA-O 3.47Å; E270-V313 WeakPolarHBondContact CB-O 3.35Å; W271-V313 HydrophobicContact CB-CB 4.24Å; W271-V313 PolarHBondContact N-O 3.03Å; W271-V313 PolarHBondContact O-N 2.94Å; V273-V313 HydrophobicContact CG2-CG2 3.63Å
314	N	35.5	Very low	30.8	Very low	103 Å²	103	92.3 Å²	92.3	55%	0.551	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	146.5	177.4	-95.7	-82.6	0	0	0	112.4	E270 L316	E270-N314 HydrophobicContact CG-CB 4.42Å; E270-N314 PolarHBondContact OE1-ND2 3.43Å; N314-L316 PolarHBondContact O-N 2.82Å
315	K	32.9	Very low	30.6	Very low	117 Å²	117	99.8 Å²	99.8	51%	0.509	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-63.4	125.9	174.9	-162	-158.8	-178.8	-165.3	0	110.1	Q317 D318	K315-Q317 PolarHBondContact O-N 3.25Å; K315-D318 IonicContact NZ-OD1 3.92Å; K315-D318 IonicContact NZ-OD2 2.65Å; K315-D318 PolarHBondContact NZ-OD2 3.01Å
316	L	32.4	Very low	29.9	Very low	145 Å²	145	104 Å²	104	76%	0.759	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-57.7	130.3	167.6	-147.1	82.4	0	0	0	108.8	N314	N314-L316 PolarHBondContact O-N 2.82Å
317	Q	31.2	Very low	29.4	Very low	157 Å²	157	109.8 Å²	109.8	73%	0.734	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-66.3	136	-178.4	-77.7	-174.1	-20.7	0	0	111.5	K315 N319	K315-Q317 PolarHBondContact O-N 3.25Å; Q317-N319 PolarHBondContact O-N 2.98Å
318	D	27.7	Very low	28.9	Very low	120 Å²	120	114.2 Å²	114.2	64%	0.642	61%	0.61	S	S	*	*			trans	-67.8	67.1	172	-67	-76.1	0	0	0	112	K315 G320	K315-D318 IonicContact NZ-OD1 3.92Å; K315-D318 IonicContact NZ-OD2 2.65Å; K315-D318 PolarHBondContact NZ-OD2 3.01Å; D318-G320 PolarHBondContact O-N 3.15Å
319	N	28.2	Very low	28.1	Very low	136 Å²	136	118.1 Å²	118.1	73%	0.727	63%	0.63	S	S	*	*			trans	-76.5	59	168.1	-82.3	-41	0	0	0	110.5	Q317 N321	Q317-N319 PolarHBondContact O-N 2.98Å; N319-N321 PolarHBondContact O-N 3.5Å
320	G	24.8	Very low	27.7	Very low	70 Å²	70	122.4 Å²	122.4	72%	0.722	66%	0.661	S	S	*	*			trans	-67.2	75.1	171.6	0	0	0	0	0	111.5	D318	D318-G320 PolarHBondContact O-N 3.15Å
321	N	24.6	Very low	27.3	Very low	133 Å²	133	127.4 Å²	127.4	71%	0.711	68%	0.682	S	S	*	*			trans	-150.3	63	172.8	-104.7	-45.3	0	0	0	111.7	N319 L323	N319-N321 PolarHBondContact O-N 3.5Å; N321-L323 PolarHBondContact O-N 2.76Å
322	M	22.1	Very low	27.1	Very low	182 Å²	182	129.3 Å²	129.3	90%	0.897	71%	0.706	S	S	*	*			trans	-74.7	73.1	167.2	-161	-171.7	82.6	0	0	110.3
323	L	24.9	Very low	26.9	Very low	136 Å²	136	131 Å²	131	71%	0.712	72%	0.716	S	S	*	*			trans	-116.9	106	-176.1	-144.5	168.4	0	0	0	110.7	N321 K325	N321-L323 PolarHBondContact O-N 2.76Å; L323-K325 PolarHBondContact O-N 3.24Å
324	L	22.2	Very low	26.5	Very low	142 Å²	142	136.2 Å²	136.2	74%	0.743	74%	0.737	S	S	*	*			trans	-65.4	129.7	179.9	-65.2	82.4	0	0	0	111.3
325	K	24.9	Very low	26.3	Very low	197 Å²	197	142.3 Å²	142.3	86%	0.857	75%	0.752	S	S	*	*			trans	-166.5	99.3	140.5	-109.9	159.3	-173.7	178.8	0	113	L323 Q327	L323-K325 PolarHBondContact O-N 3.24Å; K325-Q327 PolarHBondContact O-N 3Å
326	S	20.5	Very low	25.8	Very low	117 Å²	117	144 Å²	144	82%	0.818	76%	0.762	S	S	*	*			trans	-82.8	97.6	159.6	55.4	0	0	0	0	109.4
327	Q	24.3	Very low	25.6	Very low	172 Å²	172	143.5 Å²	143.5	80%	0.804	77%	0.769	S	S	*	*			trans	-164.6	112.1	157.7	-114.8	160.8	-4.8	0	0	114	K325	K325-Q327 PolarHBondContact O-N 3Å
328	T	24.2	Very low	25.1	Very low	113 Å²	113	144.1 Å²	144.1	69%	0.693	77%	0.769	S	S	*	*				46.6	109.5	130	60.1	0	0	0	0	121.1
329	Q	23.2	Very low	25.2	Very low	172 Å²	172	143.2 Å²	143.2	80%	0.804	77%	0.77	S	S	*	*				59.5	88.9	110.8	-164.6	179.9	13	0	0	119.4
330	S	27	Very low	25	Very low	110 Å²	110	145 Å²	145	77%	0.769	77%	0.774	S	S	*	*			trans	-164.9	120.1	139.4	55.5	0	0	0	0	106.3
331	D	23.8	Very low	25	Very low	148 Å²	148	148.9 Å²	148.9	79%	0.791	78%	0.783	S	S	*	*			cis	54.4	78.3	48.3	-63.7	-34.3	0	0	0	113.5
332	A	30	Very low	25.3	Very low	87 Å²	87	146.8 Å²	146.8	72%	0.719	78%	0.784	S	S	*	*			trans	-170.8	122.3	144	0	0	0	0	0	112.2
333	N	27.7	Very low	25.5	Very low	137 Å²	137	143.3 Å²	143.3	73%	0.733	78%	0.778	S	S	*	*			trans	51.6	115.1	132.8	-58.3	6	0	0	0	119.1
334	E	25.5	Very low	25.7	Very low	166 Å²	166	142.4 Å²	142.4	78%	0.776	78%	0.778	S	S	*	*				74.7	155.8	75.6	-74.7	-170.9	147.4	0	0	115
335	R	29.3	Very low	26	Very low	231 Å²	231	142.7 Å²	142.7	87%	0.872	78%	0.78	S	S	*	*			trans	76.3	102.2	-174.3	-51.5	176.7	-171.4	-164.7	-0.3	111.7
336	E	24.1	Very low	26	Very low	152 Å²	152	138.9 Å²	138.9	71%	0.71	78%	0.778	S	S	*	*			cis	56.8	103.6	34.5	-167.1	176.7	-146.7	0	0	113.6
337	C	26.6	Very low	26.3	Very low	135 Å²	135	145.4 Å²	145.4	91%	0.912	79%	0.785	S	S	*	*			trans	-152.3	89.5	158.8	-96.6	0	0	0	0	110.4
338	K	22.6	Very low	26.4	Very low	171 Å²	171	146.3 Å²	146.3	74%	0.743	79%	0.792	S	S	*	*			trans	-74.3	178.9	152.3	-75.9	171	-177.1	156.6	0	109.6
339	P	28.7	Very low	26.6	Very low	100 Å²	100	144 Å²	144	65%	0.649	79%	0.79	S	S	*	*			cis	-132.5	-160.4	-30.3	32	-9.9	0	0	0	111.6
340	E	23.7	Very low	26.8	Very low	174 Å²	174	142 Å²	142	81%	0.813	79%	0.789	S	S	*	*			trans	22.6	114.9	141.2	-66.1	165.2	107.8	0	0	120.8
341	V	26.2	Very low	26.8	Very low	151 Å²	151	142.2 Å²	142.2	92%	0.915	78%	0.782	S	S	*	*				-154.3	135.5	111.1	177.8	0	0	0	0	104.5
342	A	29.6	Very low	27.1	Very low	89 Å²	89	141.8 Å²	141.8	74%	0.736	78%	0.78	S	S	*	*			cis	-136.1	167.4	32.2	0	0	0	0	0	115.4
343	S	27.1	Very low	26.9	Very low	109 Å²	109	145.1 Å²	145.1	76%	0.762	78%	0.78	S	S	*	*			trans	-61.2	159.8	169.8	56.3	0	0	0	0	113.2
344	T	29.4	Very low	26.9	Very low	118 Å²	118	144.1 Å²	144.1	72%	0.724	78%	0.779	S	S	*	*			cis	-138.8	147.8	23.2	43.8	0	0	0	0	114.6
345	N	27.4	Very low	26.7	Very low	147 Å²	147	143.4 Å²	143.4	79%	0.786	78%	0.779	S	S	*	*			trans	53.9	79.2	150.2	-60.4	2	0	0	0	119.9
346	S	25	Very low	26.5	Very low	117 Å²	117	137.6 Å²	137.6	82%	0.818	77%	0.773	S	S	*	*	S	Bend	trans	61.4	110.6	134.8	60.4	0	0	0	0	121.2
347	R	26.5	Very low	26.4	Very low	255 Å²	255	138.4 Å²	138.4	96%	0.962	78%	0.775	S	S	*	*			trans	79.1	64.8	144.6	-144.4	175.7	-161.1	174.1	5	118.1
348	M	26.8	Very low	26.5	Very low	191 Å²	191	138.5 Å²	138.5	94%	0.941	77%	0.766	S	S	*	*			trans	-97.9	168.6	156	-68.4	-161.1	-53.3	0	0	112.2
349	G	27.4	Very low	26.6	Very low	63 Å²	63	136.8 Å²	136.8	65%	0.649	77%	0.766	S	S	*	*			trans	104	109.7	166.8	0	0	0	0	0	113.5
350	V	27.5	Very low	26.5	Very low	131 Å²	131	138.8 Å²	138.8	79%	0.794	77%	0.769	S	S	*	*			cis	56.5	144.9	11.1	-82.5	0	0	0	0	115.3
351	N	27	Very low	26.7	Very low	115 Å²	115	136.9 Å²	136.9	62%	0.615	76%	0.764	S	S	*	*			cis	-155.9	-173.1	23.9	-139	0.5	0	0	0	113.4
352	N	31.6	Very low	26.8	Very low	139 Å²	139	137 Å²	137	74%	0.743	76%	0.759	S	S	*	*			trans	82.2	108.2	168.3	-56.4	-1.5	0	0	0	115.3
353	E	25.4	Very low	26.8	Very low	156 Å²	156	136.5 Å²	136.5	73%	0.729	76%	0.763	S	S	*	*			cis	65	145.8	13.7	-113.7	179.1	-131.4	0	0	112.7
354	V	26.4	Very low	26.9	Very low	116 Å²	116	136 Å²	136	70%	0.703	77%	0.766	S	S	*	*			cis	-142.1	147.4	12.9	-162.8	0	0	0	0	111.2
355	I	22.4	Very low	27.3	Very low	151 Å²	151	136.2 Å²	136.2	77%	0.774	77%	0.769	S	S	*	*			trans	-39.4	156.6	154	-59.8	146.6	0	0	0	115.3
356	S	25.4	Very low	27.4	Very low	109 Å²	109	136.2 Å²	136.2	76%	0.762	77%	0.769	S	S	*	*				149.3	155.3	125.6	-159.4	0	0	0	0	115.8
357	F	21.1	Very low	28.1	Very low	169 Å²	169	135 Å²	135	74%	0.741	76%	0.759	S	S	*	*			trans	-90.3	156	178.7	-68.2	-113.1	0	0	0	112
358	N	29	Very low	28.3	Very low	137 Å²	137	129.1 Å²	129.1	73%	0.733	75%	0.751	S	S	*	*				171.1	121.1	108.8	-94.1	-69.1	0	0	0	114.5
359	N	25	Very low	28.6	Very low	136 Å²	136	124.4 Å²	124.4	73%	0.727	74%	0.743	S	S	*	*				41.4	149.9	116	-92.6	-34.2	0	0	0	124
360	I	26.5	Very low	28.7	Very low	141 Å²	141	125.9 Å²	125.9	72%	0.723	75%	0.748	S	S	*	*			trans	97.3	110.6	140.8	-81.2	165.2	0	0	0	121
361	L	28.7	Very low	29	Very low	134 Å²	134	131.1 Å²	131.1	70%	0.702	75%	0.754	S	S	*	*			trans	67.2	123.2	145.3	-89.1	68.9	0	0	0	123.9
362	N	27.6	Very low	29.3	Very low	153 Å²	153	130.4 Å²	130.4	82%	0.818	76%	0.758	S	S	*	*				49	130.6	124.7	-56.6	-3.1	0	0	0	122
363	G	29.3	Very low	29.4	Very low	80 Å²	80	128.5 Å²	128.5	83%	0.825	76%	0.762	S	S	*	*			trans	150.5	98.3	147.2	0	0	0	0	0	116.8
364	A	30.1	Very low	29.9	Very low	98 Å²	98	127.9 Å²	127.9	81%	0.81	77%	0.769	S	S	*	*			trans	-75.9	166.6	157.3	0	0	0	0	0	109.7
365	P	37.3	Very low	30.3	Very low	123 Å²	123	125.5 Å²	125.5	80%	0.799	77%	0.768	S	S	*	*			cis	-147	179.5	27.6	42.4	-21.1	0	0	0	119.5
366	D	29.5	Very low	30.9	Very low	146 Å²	146	130.1 Å²	130.1	78%	0.781	78%	0.776	S	S	*	*			trans	-42.9	179.9	152.1	-122.6	-7.1	0	0	0	115.1
367	P	38.7	Very low	31.3	Very low	93 Å²	93	130.1 Å²	130.1	60%	0.604	78%	0.776	S	S	*	*			cis	-137.6	-178.1	-5.5	29.7	-6	0	0	0	115.6
368	T	32.6	Very low	32	Very low	131 Å²	131	125.6 Å²	125.6	80%	0.804	77%	0.769	S	S	*	*				163.6	138.4	113.3	41.6	0	0	0	0	117.6
369	A	31.5	Very low	32.2	Very low	92 Å²	92	124.7 Å²	124.7	76%	0.76	77%	0.769	S	S	*	*			trans	61.9	92.6	136.1	0	0	0	0	0	123.9
370	A	30.9	Very low	32.7	Very low	93 Å²	93	126.3 Å²	126.3	77%	0.769	77%	0.772	S	S	*	*				84.3	147.2	106.6	0	0	0	0	0	123.9
371	R	32.3	Very low	32.8	Very low	241 Å²	241	125.7 Å²	125.7	91%	0.909	78%	0.779	S	S	*	*			trans	74.6	147.7	161.3	-69.4	177.6	168.7	-179.3	-4.8	118.7
372	S	33.1	Very low	32.9	Very low	100 Å²	100	122.6 Å²	122.6	70%	0.699	78%	0.779	S	S	*	*			cis	-174.4	137.8	-21.7	51.1	0	0	0	0	113
373	A	33.9	Very low	33.1	Very low	100 Å²	100	119.5 Å²	119.5	83%	0.826	78%	0.775	S	S	*	*			trans	61.4	163	160.3	0	0	0	0	0	116.5
374	T	37	Very low	33	Very low	142 Å²	142	122 Å²	122	87%	0.871	78%	0.775	S	S	*	*			cis	-142.4	156.2	3.8	46.9	0	0	0	0	108.8
375	G	33.8	Very low	32.8	Very low	67 Å²	67	122.9 Å²	122.9	69%	0.691	77%	0.77	S	S	*	*			cis	151.6	151.6	-4	0	0	0	0	0	112.3
376	R	35.1	Very low	32.4	Very low	247 Å²	247	124.5 Å²	124.5	93%	0.932	77%	0.77	S	S	*	*			trans	68.9	153.2	174.8	-60.9	-179.6	177.7	-177.6	-1.6	116.2
377	S	34.9	Very low	32.2	Very low	109 Å²	109	126.1 Å²	126.1	76%	0.762	77%	0.773	S	S	*	*			cis	-172.4	167.8	-20.3	55.7	0	0	0	0	107.6
378	A	34.5	Very low	31.9	Very low	74 Å²	74	126.8 Å²	126.8	61%	0.612	78%	0.777	S	S	*	*			cis	-161.1	169.8	17	0	0	0	0	0	112
379	T	34.8	Very low	31.8	Very low	118 Å²	118	127.4 Å²	127.4	72%	0.724	78%	0.776	S	S	*	*			trans	58.1	136.3	148.1	49.9	0	0	0	0	120.3
380	E	33.8	Very low	31.4	Very low	170 Å²	170	128 Å²	128	79%	0.794	77%	0.773	S	S	*	*			cis	-158.3	169.2	3.4	-132.9	156.4	-167.5	0	0	114.5
381	C	30.1	Very low	31.2	Very low	128 Å²	128	128.4 Å²	128.4	87%	0.865	77%	0.77	S	S	*	*			trans	-5.6	152.2	174.5	-64.1	0	0	0	0	123.2
382	G	30.7	Very low	31	Very low	69 Å²	69	125 Å²	125	71%	0.711	77%	0.765	S	S	*	*			cis	161.6	175.1	-2.8	0	0	0	0	0	114.9
383	A	30.9	Very low	30.7	Very low	89 Å²	89	128 Å²	128	74%	0.736	77%	0.768	S	S	*	*			trans	66.2	128.5	177.3	0	0	0	0	0	117.4
384	T	28.4	Very low	30.3	Very low	132 Å²	132	128.5 Å²	128.5	81%	0.81	76%	0.76	S	S	*	*			cis	81	135.7	32.9	76.6	0	0	0	0	113.6
385	V	26.1	Very low	29.8	Very low	117 Å²	117	129.8 Å²	129.8	71%	0.709	76%	0.756	S	S	*	*			cis	-170.6	153	9.7	103.4	0	0	0	0	113.6
386	I	28	Very low	29.4	Very low	157 Å²	157	134.1 Å²	134.1	81%	0.805	76%	0.76	S	S	*	*			trans	67.5	145.4	152.1	-71	175.3	0	0	0	122.3
387	Q	25.9	Very low	29	Very low	180 Å²	180	128.4 Å²	128.4	84%	0.841	76%	0.758	S	S	*	*			trans	-108.7	178.3	167.1	-47.5	175.4	-62.2	0	0	109.8
388	P	32.6	Very low	28.7	Very low	107 Å²	107	126.5 Å²	126.5	70%	0.695	76%	0.756	S	S	*	*			cis	-141.1	-149.3	6.2	43.4	-21.6	0	0	0	113.6
389	N	29	Very low	28.2	Very low	143 Å²	143	131.4 Å²	131.4	77%	0.765	77%	0.768	S	S	*	*			trans	89.8	122.3	157	-82.5	4.5	0	0	0	121.9
390	C	24.3	Very low	28.1	Very low	106 Å²	106	133.6 Å²	133.6	72%	0.716	77%	0.774	S	S	*	*			trans	59.7	120.6	134.9	-72.8	0	0	0	0	123
391	S	26.7	Very low	27.8	Very low	100 Å²	100	132 Å²	132	70%	0.699	77%	0.771	S	S	*	*				85.8	105.9	126.9	-60.9	0	0	0	0	120.5
392	Q	27.1	Very low	27.8	Very low	170 Å²	170	137.5 Å²	137.5	79%	0.794	77%	0.773	S	S	*	*				83.2	132.8	124.7	-77.5	-176.1	-17.6	0	0	121.4
393	Q	26.3	Very low	27.7	Very low	164 Å²	164	144 Å²	144	77%	0.766	78%	0.776	S	S	*	*			trans	84.8	114.9	142.3	-76.7	-170.9	-0.8	0	0	121.6
394	V	25.7	Very low	27.5	Very low	109 Å²	109	147.3 Å²	147.3	66%	0.661	78%	0.777	S	S	*	*				90.7	99.8	119.7	172.2	0	0	0	0	118.9
395	Q	26.3	Very low	27.5	Very low	169 Å²	169	149 Å²	149	79%	0.79	78%	0.778	S	S	*	*				87.4	145.9	128.1	-86.8	-176.9	-10.4	0	0	123.7
396	M	26.6	Very low	27.6	Very low	159 Å²	159	150.5 Å²	150.5	78%	0.783	78%	0.781	S	S	*	*			trans	81.7	101.3	141.9	-74.4	-77.4	-121.7	0	0	121.3
397	S	26.8	Very low	27.6	Very low	126 Å²	126	150 Å²	150	88%	0.881	78%	0.78	S	S	*	*				76.5	156.1	124.5	-154.9	0	0	0	0	119.4
398	G	28.3	Very low	27.7	Very low	70 Å²	70	149.9 Å²	149.9	72%	0.722	78%	0.779	S	S	*	*			trans	133.6	101.4	171	0	0	0	0	0	114.6
399	M	24.7	Very low	27.4	Very low	176 Å²	176	149.1 Å²	149.1	87%	0.867	78%	0.782	S	S	*	*			trans	-62.6	157.5	165.3	-60.4	142.3	53.2	0	0	111.6
400	I	31.2	Very low	27.4	Very low	164 Å²	164	150.5 Å²	150.5	84%	0.841	79%	0.788	S	S	*	*				-173.7	139.4	111.6	-93.9	154.4	0	0	0	110.4
401	D	28.5	Very low	27.7	Very low	138 Å²	138	153.6 Å²	153.6	74%	0.738	79%	0.792	S	S	*	*			trans	-94.3	147.3	178.6	175.5	25.7	0	0	0	111
402	R	30.3	Very low	27.7	Very low	242 Å²	242	156.4 Å²	156.4	91%	0.913	80%	0.799	S	S	*	*			trans	-155.7	120.7	157.9	-127.9	170.5	-171.9	157.1	5	115.2
403	R	27.9	Very low	27.7	Very low	205 Å²	205	154.5 Å²	154.5	77%	0.774	80%	0.803	S	S	*	*			trans	-73.5	172.2	174.7	-112.8	-180	-175	156.1	1.4	114.7
404	E	27.2	Very low	27.6	Very low	159 Å²	159	152.5 Å²	152.5	74%	0.743	80%	0.802	S	S	*	*			trans	84.7	159.2	142.4	-86.9	164.9	-153.8	0	0	121.4
405	M	27.6	Very low	27.7	Very low	168 Å²	168	154.7 Å²	154.7	83%	0.828	81%	0.808	S	S	*	*			trans	73.9	137.8	176.9	-49.8	-179.4	77.1	0	0	114.9
406	L	29.4	Very low	27.8	Very low	149 Å²	149	154.7 Å²	154.7	78%	0.78	81%	0.808	S	S	*	*			cis	-145.1	157.3	0.9	-158.7	77.4	0	0	0	110.8
407	N	26.8	Very low	27.8	Very low	146 Å²	146	156.3 Å²	156.3	78%	0.781	81%	0.811	S	S	*	*			trans	-112.2	152.7	171	-141.6	-16.6	0	0	0	109.6
408	Q	29.2	Very low	27.8	Very low	178 Å²	178	158.5 Å²	158.5	83%	0.832	81%	0.813	S	S	*	*			trans	101.5	128.4	168.1	-58.1	-179.1	-18.7	0	0	120.8
409	A	26.1	Very low	27.8	Very low	91 Å²	91	158.8 Å²	158.8	75%	0.752	81%	0.808	S	S	*	*			trans	64.4	121.8	144	0	0	0	0	0	121.5
410	I	29.4	Very low	27.8	Very low	171 Å²	171	157.8 Å²	157.8	88%	0.877	81%	0.807	S	S	*	*				-152	145.4	113.8	-97.9	152	0	0	0	108
411	E	30.4	Very low	27.6	Very low	172 Å²	172	155.1 Å²	155.1	80%	0.804	80%	0.802	S	S	*	*			trans	-97.3	163.7	-174.2	-64.3	171.6	128.1	0	0	113
412	D	26.4	Very low	27.6	Very low	159 Å²	159	157.6 Å²	157.6	85%	0.85	81%	0.809	S	S	*	*			trans	42	111.1	153.1	-72.2	-2.7	0	0	0	120.9
413	C	26.7	Very low	27.4	Very low	130 Å²	130	157 Å²	157	88%	0.878	81%	0.807	S	S	*	*				-148.6	128.6	122.4	-145.6	0	0	0	0	112.1
414	T	23.9	Very low	27.3	Very low	121 Å²	121	152.6 Å²	152.6	74%	0.742	80%	0.803	S	S	*	*			trans	-101.6	-176.1	163.1	51.7	0	0	0	0	109.5
415	I	27.2	Very low	27.3	Very low	156 Å²	156	152.9 Å²	152.9	80%	0.8	81%	0.809	S	S	*	*			trans	84.9	133.4	-173.7	-55.5	169	0	0	0	112.3
416	Q	29.2	Very low	27.2	Very low	168 Å²	168	152 Å²	152	79%	0.785	81%	0.807	S	S	*	*			cis	-161.2	162.9	-20.6	-178.4	163.8	-70.3	0	0	108.7
417	K	26.4	Very low	27.1	Very low	194 Å²	194	150.6 Å²	150.6	84%	0.843	81%	0.81	S	S	*	*			trans	-39.2	136.7	176.1	-57.1	172.9	-179.4	178.7	0	114.4
418	D	27.9	Very low	27	Very low	171 Å²	171	146.9 Å²	146.9	91%	0.914	81%	0.806	S	S	*	*			trans	-132.4	156.5	135.6	-117.2	-36	0	0	0	109.7
419	A	26.3	Very low	27	Very low	76 Å²	76	144 Å²	144	63%	0.628	80%	0.796	S	S	*	*			trans	-144.5	150.4	-175.8	0	0	0	0	0	112.3
420	N	26	Very low	27.3	Very low	156 Å²	156	145 Å²	145	83%	0.834	80%	0.797	S	S	*	*			trans	82.1	151.9	-175.5	-49	-59.1	0	0	0	116.1
421	S	26.8	Very low	27.4	Very low	108 Å²	108	139.4 Å²	139.4	76%	0.755	78%	0.782	S	S	*	*			trans	82.8	68.2	163.1	-48.8	0	0	0	0	119.4
422	Q	29.3	Very low	27.5	Very low	189 Å²	189	136.1 Å²	136.1	88%	0.883	77%	0.768	S	S	*	*				-177.2	125.8	117.1	-92.7	152.9	27.1	0	0	108.2
423	R	25	Very low	27.8	Very low	229 Å²	229	134.3 Å²	134.3	86%	0.864	76%	0.758	S	S	*	*				71.6	99.1	50.4	-79.8	-167.7	170.6	174.2	-1.7	115.5
424	T	25.1	Very low	28.2	Very low	113 Å²	113	132.5 Å²	132.5	69%	0.693	74%	0.742	S	S	*	*			trans	81.7	144.4	135.8	-45.9	0	0	0	0	118.2
425	L	28	Very low	28.6	Very low	165 Å²	165	136.2 Å²	136.2	86%	0.864	74%	0.743	S	S	*	*			trans	91	76.7	-169.9	-58.2	172.1	0	0	0	112.9
426	L	26.1	Very low	28.8	Very low	149 Å²	149	131.6 Å²	131.6	78%	0.78	72%	0.724	S	S	*	*			cis	72.5	119	31.8	-118.2	177.2	0	0	0	115.1
427	S	26.1	Very low	29.2	Very low	121 Å²	121	129.2 Å²	129.2	85%	0.846	71%	0.712	S	S	*	*			trans	71.9	131.4	177.2	74.6	0	0	0	0	117.9
428	G	26.2	Very low	29.7	Very low	67 Å²	67	124.5 Å²	124.5	69%	0.691	69%	0.693	S	S	*	*			trans	149.5	96	172.8	0	0	0	0	0	116.9	S430	G428-S430 PolarHBondContact O-N 3.06Å; G428-S430 VanDerWaalsContact O-N 3.1Å
429	N	28.3	Very low	30.1	Very low	119 Å²	119	119 Å²	119	64%	0.636	67%	0.672	S	S	*	*			trans	60.9	15.6	141.9	-62	2.5	0	0	0	123.1	G431 M432	N429-G431 PolarHBondContact O-N 2.71Å; N429-G431 VanDerWaalsContact O-N 3.1Å; N429-M432 HydrophobicContact CB-CB 4.36Å; N429-M432 HydrophobicContact CB-CG 4.39Å; N429-M432 PolarHBondContact O-N 2.86Å
430	S	33.4	Very low	30.8	Very low	110 Å²	110	120.3 Å²	120.3	77%	0.769	67%	0.667	S	S	*	*	H	α-helix	trans	-59.6	-23.9	172.6	-161.2	0	0	0	0	114.3	G428 M432	G428-S430 PolarHBondContact O-N 3.06Å; G428-S430 VanDerWaalsContact O-N 3.1Å; S430-M432 VanDerWaalsContact C-N 3.34Å
431	G	31.5	Very low	31.3	Very low	54 Å²	54	117.7 Å²	117.7	56%	0.557	65%	0.653	S	S	*	*	H	α-helix	trans	-79.9	-5.6	173.8	0	0	0	0	0	115.4	N429	N429-G431 PolarHBondContact O-N 2.71Å; N429-G431 VanDerWaalsContact O-N 3.1Å
432	M	31.5	Very low	31.8	Very low	103 Å²	103	120.7 Å²	120.7	51%	0.507	65%	0.647	S	S	.	*	H	α-helix	trans	-87.8	-31.4	177	-77.2	-162.8	71.3	0	0	113.4	N429 S430 R435 C436	N429-M432 HydrophobicContact CB-CB 4.36Å; N429-M432 HydrophobicContact CB-CG 4.39Å; N429-M432 PolarHBondContact O-N 2.86Å; S430-M432 VanDerWaalsContact C-N 3.34Å; M432-R435 PolarHBondContact O-N 3.39Å; M432-C436 WeakPolarHBondContact O-CB 3.17Å; M432-C436 PolarHBondContact O-N 2.65Å; M432-C436 PolarHBondContact O-SG 2.85Å
433	L	32.6	Very low	32.3	Very low	122 Å²	122	117.6 Å²	117.6	64%	0.639	63%	0.633	S	S	*	*	H	α-helix	trans	-62.3	-48.8	-176.5	-111.2	80.3	0	0	0	112.1	R435 C436 Q437	L433-R435 VanDerWaalsContact C-N 3.32Å; L433-R435 PolarHBondContact O-N 3.34Å; L433-C436 PolarHBondContact O-N 3.31Å; L433-C436 VanDerWaalsContact O-N 3.1Å; L433-Q437 PolarHBondContact O-N 3.24Å
434	V	35.3	Very low	33	Very low	92 Å²	92	111.7 Å²	111.7	56%	0.558	62%	0.618	S	S	*	*	H	α-helix	trans	-60.6	-42.1	178.5	-176.3	0	0	0	0	111	C436 Q437 H438	V434-C436 PolarHBondContact O-N 2.74Å; V434-Q437 PolarHBondContact O-N 2.83Å; V434-H438 PolarHBondContact O-N 3.25Å
435	R	32.7	Very low	33.6	Very low	198 Å²	198	111.3 Å²	111.3	75%	0.747	61%	0.611	S	S	*	*	H	α-helix	trans	-66.3	-34.7	175.3	-70.8	-175.4	175.8	-168.8	-1.5	112.7	M432 L433 A439	M432-R435 PolarHBondContact O-N 3.39Å; L433-R435 VanDerWaalsContact C-N 3.32Å; L433-R435 PolarHBondContact O-N 3.34Å; R435-A439 VanDerWaalsContact O-CB 3.22Å; R435-A439 WeakPolarHBondContact O-CB 3.48Å; R435-A439 PolarHBondContact O-N 2.75Å
436	C	31.4	Very low	34.1	Very low	59 Å²	59	109 Å²	109	40%	0.399	60%	0.599	S	S	.	*	H	α-helix	trans	-70.4	-40.6	174.5	-67.2	0	0	0	0	111.7	M432 L433 V434 A439 I440	M432-C436 WeakPolarHBondContact O-CB 3.17Å; M432-C436 PolarHBondContact O-N 2.65Å; M432-C436 PolarHBondContact O-SG 2.85Å; L433-C436 PolarHBondContact O-N 3.31Å; L433-C436 VanDerWaalsContact O-N 3.1Å; V434-C436 PolarHBondContact O-N 2.74Å; C436-A439 PolarHBondContact O-N 3.11Å; C436-I440 WeakPolarHBondContact O-CB 3.23Å; C436-I440 WeakPolarHBondContact O-CD1 3.36Å; C436-I440 WeakPolarHBondContact O-CG1 3.42Å; C436-I440 PolarHBondContact O-N 2.82Å
437	Q	37.1	Very low	34.6	Very low	118 Å²	118	107.7 Å²	107.7	55%	0.551	59%	0.589	S	S	*	*	H	α-helix	trans	-63.3	-44.1	175	-73.5	171.2	-43.4	0	0	111.4	L433 V434 A439 I440 L441	L433-Q437 PolarHBondContact O-N 3.24Å; V434-Q437 PolarHBondContact O-N 2.83Å; Q437-A439 PolarHBondContact O-N 2.87Å; Q437-I440 PolarHBondContact O-N 3.23Å; Q437-L441 WeakPolarHBondContact O-CB 3.27Å; Q437-L441 PolarHBondContact O-N 2.82Å
438	H	36.8	Very low	35	Very low	95 Å²	95	109.9 Å²	109.9	44%	0.44	59%	0.586	S	S	.	*	H	α-helix	trans	-64	-38.1	173.3	-113.5	97.2	0	0	0	113	V434 R442	V434-H438 PolarHBondContact O-N 3.25Å; H438-R442 WeakPolarHBondContact O-CB 3.46Å; H438-R442 WeakPolarHBondContact O-CG 3.11Å; H438-R442 PolarHBondContact O-N 3.14Å
439	A	36.8	Very low	35.2	Very low	57 Å²	57	112.3 Å²	112.3	47%	0.471	59%	0.587	S	S	.	*	H	α-helix	trans	-68.1	-40.5	175.9	0	0	0	0	0	112.3	R435 C436 Q437 R442 H443	R435-A439 VanDerWaalsContact O-CB 3.22Å; R435-A439 WeakPolarHBondContact O-CB 3.48Å; R435-A439 PolarHBondContact O-N 2.75Å; C436-A439 PolarHBondContact O-N 3.11Å; Q437-A439 PolarHBondContact O-N 2.87Å; A439-R442 PolarHBondContact O-N 3.02Å; A439-H443 VanDerWaalsContact O-CB 3.3Å; A439-H443 WeakPolarHBondContact O-CB 3.41Å; A439-H443 PolarHBondContact O-N 3.09Å
440	I	40.7	Very low	35.2	Very low	102 Å²	102	110.8 Å²	110.8	52%	0.523	59%	0.591	S	S	.	*	H	α-helix	trans	-65.9	-45.4	176.3	-70.8	163.3	0	0	0	110.2	C436 Q437 R442 H443 L444	C436-I440 WeakPolarHBondContact O-CB 3.23Å; C436-I440 WeakPolarHBondContact O-CD1 3.36Å; C436-I440 WeakPolarHBondContact O-CG1 3.42Å; C436-I440 PolarHBondContact O-N 2.82Å; Q437-I440 PolarHBondContact O-N 3.23Å; I440-R442 PolarHBondContact O-N 2.87Å; I440-H443 PolarHBondContact O-N 3.04Å; I440-H443 VanDerWaalsContact O-N 3.14Å; I440-L444 HydrophobicContact CG2-CD1 3.85Å; I440-L444 HydrophobicContact CG2-CG 4.44Å; I440-L444 WeakPolarHBondContact O-CG 3.42Å; I440-L444 PolarHBondContact O-N 3.48Å
441	L	37.1	Very low	35	Very low	101 Å²	101	113.9 Å²	113.9	53%	0.529	59%	0.594	S	S	.	*	H	α-helix	trans	-61.7	-43.4	175.5	-81.7	164.4	0	0	0	112.3	Q437 H443 L444 L445	Q437-L441 WeakPolarHBondContact O-CB 3.27Å; Q437-L441 PolarHBondContact O-N 2.82Å; L441-H443 VanDerWaalsContact C-N 3.33Å; L441-H443 PolarHBondContact O-N 2.91Å; L441-L444 PolarHBondContact O-N 2.86Å; L441-L445 WeakPolarHBondContact O-CB 3.45Å; L441-L445 WeakPolarHBondContact O-CG 3.48Å; L441-L445 PolarHBondContact O-N 3.21Å
442	R	37.4	Very low	35.1	Very low	172 Å²	172	116.1 Å²	116.1	65%	0.649	60%	0.599	S	S	*	*	H	α-helix	trans	-63.1	-36.8	171.8	-77.9	-173.5	-177.9	169.2	3.5	112.9	H438 A439 I440 N446	H438-R442 WeakPolarHBondContact O-CB 3.46Å; H438-R442 WeakPolarHBondContact O-CG 3.11Å; H438-R442 PolarHBondContact O-N 3.14Å; A439-R442 PolarHBondContact O-N 3.02Å; I440-R442 PolarHBondContact O-N 2.87Å; R442-N446 WeakPolarHBondContact O-CB 3.4Å; R442-N446 PolarHBondContact O-N 3.46Å; R442-N446 PolarHBondContact O-OD1 2.95Å
443	H	40	Very low	34.8	Very low	124 Å²	124	118 Å²	118	57%	0.574	61%	0.611	S	S	*	*	H	α-helix	trans	-74.8	-27.4	-179.1	-155.9	66	0	0	0	112.7	A439 I440 L441 Q447	A439-H443 VanDerWaalsContact O-CB 3.3Å; A439-H443 WeakPolarHBondContact O-CB 3.41Å; A439-H443 PolarHBondContact O-N 3.09Å; I440-H443 PolarHBondContact O-N 3.04Å; I440-H443 VanDerWaalsContact O-N 3.14Å; L441-H443 VanDerWaalsContact C-N 3.33Å; L441-H443 PolarHBondContact O-N 2.91Å; H443-Q447 PolarHBondContact CD2-NE2 3.42Å; H443-Q447 VanDerWaalsContact CD2-NE2 3.25Å; H443-Q447 PolarHBondContact NE2-NE2 2.99Å; H443-Q447 VanDerWaalsContact NE2-NE2 3.12Å; H443-Q447 VanDerWaalsContact O-CG 3.25Å; H443-Q447 WeakPolarHBondContact O-CG 3.32Å
444	L	38.9	Very low	34.7	Very low	105 Å²	105	122.9 Å²	122.9	55%	0.55	62%	0.622	S	S	.	*	H	α-helix	trans	-75.7	-48.1	171.5	-68.5	168.1	0	0	0	111.3	I440 L441 N446 Q447	I440-L444 HydrophobicContact CG2-CD1 3.85Å; I440-L444 HydrophobicContact CG2-CG 4.44Å; I440-L444 WeakPolarHBondContact O-CG 3.42Å; I440-L444 PolarHBondContact O-N 3.48Å; L441-L444 PolarHBondContact O-N 2.86Å; L444-N446 PolarHBondContact O-N 2.83Å; L444-Q447 PolarHBondContact O-N 3.27Å
445	L	38.5	Very low	34.4	Very low	105 Å²	105	124.4 Å²	124.4	55%	0.55	63%	0.632	S	S	.	*	H	α-helix	trans	-66.7	-33.8	179.3	-70.3	166.3	0	0	0	113	L441 Q447	L441-L445 WeakPolarHBondContact O-CB 3.45Å; L441-L445 WeakPolarHBondContact O-CG 3.48Å; L441-L445 PolarHBondContact O-N 3.21Å; L445-Q447 VanDerWaalsContact C-N 3.29Å; L445-Q447 PolarHBondContact O-N 3.23Å
446	N	37.9	Very low	34.1	Very low	115 Å²	115	122.5 Å²	122.5	62%	0.615	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	1.3	177.9	-65.9	5	0	0	0	113.8	R442 L444	R442-N446 WeakPolarHBondContact O-CB 3.4Å; R442-N446 PolarHBondContact O-N 3.46Å; R442-N446 PolarHBondContact O-OD1 2.95Å; L444-N446 PolarHBondContact O-N 2.83Å
447	Q	37.2	Very low	34	Very low	122 Å²	122	128.2 Å²	128.2	57%	0.57	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-12.7	173.5	-83.3	-179.9	19.4	0	0	113.5	H443 L444 L445 T449	H443-Q447 PolarHBondContact CD2-NE2 3.42Å; H443-Q447 VanDerWaalsContact CD2-NE2 3.25Å; H443-Q447 PolarHBondContact NE2-NE2 2.99Å; H443-Q447 VanDerWaalsContact NE2-NE2 3.12Å; H443-Q447 VanDerWaalsContact O-CG 3.25Å; H443-Q447 WeakPolarHBondContact O-CG 3.32Å; L444-Q447 PolarHBondContact O-N 3.27Å; L445-Q447 VanDerWaalsContact C-N 3.29Å; L445-Q447 PolarHBondContact O-N 3.23Å; Q447-T449 VanDerWaalsContact C-N 3.33Å; Q447-T449 PolarHBondContact O-N 2.83Å
448	E	33.9	Very low	33.5	Very low	168 Å²	168	131.2 Å²	131.2	79%	0.785	68%	0.676	S	S	*	*	S	Bend	trans	-89.7	13.7	179	-64.7	-173.1	125	0	0	114
449	T	29.7	Very low	33.2	Very low	117 Å²	117	130.3 Å²	130.3	72%	0.718	69%	0.685	S	S	*	*			trans	-130.8	60.9	-178.2	41.8	0	0	0	0	113.5	Q447	Q447-T449 VanDerWaalsContact C-N 3.33Å; Q447-T449 PolarHBondContact O-N 2.83Å
450	A	29.4	Very low	32.9	Very low	87 Å²	87	133.9 Å²	133.9	72%	0.719	70%	0.696	S	S	*	*			trans	-143.4	65.7	178.7	0	0	0	0	0	113.9	P452	A450-P452 WeakPolarHBondContact O-CD 3.31Å
451	E	29.4	Very low	32.4	Very low	175 Å²	175	136.8 Å²	136.8	82%	0.818	71%	0.708	S	S	*	*			trans	-65.7	120.6	168.7	-84.3	-66.9	149.5	0	0	111.8	N453	E451-N453 PolarHBondContact O-N 2.91Å
452	P	32.5	Very low	32	Very low	102 Å²	102	136.5 Å²	136.5	66%	0.662	72%	0.72	S	S	*	*			trans	-85.3	93.3	176.6	33.4	-31.5	0	0	0	111	A450 Y454	A450-P452 WeakPolarHBondContact O-CD 3.31Å; P452-Y454 PolarHBondContact O-N 3.29Å
453	N	26.6	Very low	31.6	Very low	143 Å²	143	132.9 Å²	132.9	77%	0.765	73%	0.726	S	S	*	*			trans	-49.4	123.7	173.6	-78	-69	0	0	0	112.8	E451	E451-N453 PolarHBondContact O-N 2.91Å
454	Y	28.6	Very low	31	Very low	224 Å²	224	131.8 Å²	131.8	88%	0.878	74%	0.739	S	S	*	*			trans	-131.2	92.2	156.1	-89.9	-79	0	0	0	110.2	P452	P452-Y454 PolarHBondContact O-N 3.29Å
455	T	30.6	Very low	30.7	Very low	124 Å²	124	130.1 Å²	130.1	76%	0.761	75%	0.747	S	S	*	*			trans	-76.2	154.4	167.8	37.3	0	0	0	0	111.2
456	N	25.3	Very low	30.4	Very low	157 Å²	157	131.7 Å²	131.7	84%	0.84	76%	0.755	S	S	*	*			trans	-55.9	145.8	176.1	-54.6	-82.7	0	0	0	112.5
457	L	30	Very low	30.1	Very low	180 Å²	180	132.4 Å²	132.4	94%	0.942	76%	0.758	S	S	*	*				-156.8	160.6	127.6	-108.6	160	0	0	0	110.9
458	H	26.6	Very low	29.8	Very low	180 Å²	180	137.2 Å²	137.2	83%	0.833	77%	0.771	S	S	*	*			trans	-117.1	172.9	-158.8	-153.3	-94.3	0	0	0	111.6
459	A	30.6	Very low	29.7	Very low	76 Å²	76	132.5 Å²	132.5	63%	0.628	77%	0.768	S	S	*	*			trans	76.4	104.9	162.2	0	0	0	0	0	118.9
460	D	30.1	Very low	29.8	Very low	133 Å²	133	133.2 Å²	133.2	71%	0.711	77%	0.771	S	S	*	*				124.8	139.5	101	-117.1	-31.1	0	0	0	120.3
461	Q	30.1	Very low	29.7	Very low	163 Å²	163	137.3 Å²	137.3	76%	0.762	78%	0.776	S	S	*	*			trans	42.9	102.1	151.8	-80.7	159.5	74.5	0	0	121.7
462	A	28.4	Very low	29.7	Very low	95 Å²	95	138.3 Å²	138.3	79%	0.785	78%	0.781	S	S	*	*				139	154.4	80.3	0	0	0	0	0	117.4
463	A	28.6	Very low	29.4	Very low	95 Å²	95	144.7 Å²	144.7	79%	0.785	79%	0.791	S	S	*	*			trans	72.1	85.4	149.5	0	0	0	0	0	122.4
464	A	29.1	Very low	29.8	Very low	101 Å²	101	143 Å²	143	84%	0.835	79%	0.789	S	S	*	*				62.2	135.6	119.9	0	0	0	0	0	123.3
465	G	31.8	Very low	29.9	Very low	70 Å²	70	138 Å²	138	72%	0.722	78%	0.781	S	S	*	*			trans	155.3	54.5	167.4	0	0	0	0	0	115.7
466	I	31.9	Very low	29.7	Very low	139 Å²	139	140.2 Å²	140.2	71%	0.713	78%	0.782	S	S	*	*				84.6	118.1	85.9	-69.4	171.1	0	0	0	115.2
467	N	31.7	Very low	30	Very low	129 Å²	129	141.5 Å²	141.5	69%	0.69	78%	0.784	S	S	*	*			trans	70.3	152.8	155.7	-70	-17.6	0	0	0	120.1
468	R	31.3	Very low	29.9	Very low	223 Å²	223	139.7 Å²	139.7	84%	0.842	77%	0.77	S	S	*	*			cis	-168	151.4	-14.5	-116.8	169.8	-170.3	-140.4	-1.6	113
469	G	31.4	Very low	30.2	Very low	69 Å²	69	136.2 Å²	136.2	71%	0.711	77%	0.766	S	S	*	*			trans	77.7	162.2	145.7	0	0	0	0	0	117.6
470	V	32.8	Very low	30.2	Very low	132 Å²	132	142.7 Å²	142.7	80%	0.8	77%	0.774	S	S	*	*			cis	-142.8	153.6	-4.1	175.9	0	0	0	0	109.2
471	E	25.8	Very low	30.4	Very low	173 Å²	173	141.9 Å²	141.9	81%	0.808	78%	0.776	S	S	*	*			trans	-22.9	159.7	152.4	-78.3	158.2	120.5	0	0	116.7
472	E	30.1	Very low	30.5	Very low	197 Å²	197	141.6 Å²	141.6	92%	0.921	78%	0.778	S	S	*	*			cis	-142.3	-166.8	49.3	-68.4	177.5	136.5	0	0	115.4
473	R	25.2	Very low	30.3	Very low	235 Å²	235	140.5 Å²	140.5	89%	0.887	77%	0.765	S	S	*	*			trans	-158	-177.8	-163.7	-147.4	-168.6	-161.5	-168.5	7.8	110.9
474	P	35.8	Very low	30.4	Very low	109 Å²	109	145.8 Å²	145.8	71%	0.708	77%	0.766	S	S	*	*				-90.8	-128	-102	41.9	-26.1	0	0	0	114
475	V	29.8	Very low	30.4	Very low	118 Å²	118	145.5 Å²	145.5	72%	0.715	76%	0.758	S	S	*	*			trans	85.1	134.4	173	-179.8	0	0	0	0	114.5
476	E	27.4	Very low	30.2	Very low	170 Å²	170	150.4 Å²	150.4	79%	0.794	77%	0.766	S	S	*	*			cis	-163.8	-159.5	-19.5	-120.9	167.3	-157.4	0	0	110.8
477	E	31.8	Very low	30.1	Very low	185 Å²	185	147.6 Å²	147.6	86%	0.864	77%	0.772	S	S	*	*			trans	69.8	121.8	172.3	-57.2	-170.2	115.6	0	0	116.8
478	E	28.6	Very low	29.8	Very low	142 Å²	142	148.2 Å²	148.2	66%	0.664	78%	0.781	S	S	*	*			cis	102.2	143.4	28.9	-170.3	173.1	-179.2	0	0	114	R480	E478-R480 IonicContact OE1-CZ 3.74Å; E478-R480 IonicContact OE1-NE 3.43Å; E478-R480 PolarHBondContact OE1-NE 3.26Å; E478-R480 IonicContact OE1-NH2 2.83Å; E478-R480 PolarHBondContact OE1-NH2 2.98Å
479	S	32.6	Very low	29.8	Very low	106 Å²	106	143.2 Å²	143.2	74%	0.741	78%	0.777	S	S	*	*			trans	93.2	142.5	165	83.4	0	0	0	0	117.8
480	R	30	Very low	29.6	Very low	213 Å²	213	143.9 Å²	143.9	80%	0.804	78%	0.776	S	S	*	*			cis	-161	164.3	-35.2	-117.2	167.5	-155	-152.4	8.2	108.9	E478	E478-R480 IonicContact OE1-CZ 3.74Å; E478-R480 IonicContact OE1-NE 3.43Å; E478-R480 PolarHBondContact OE1-NE 3.26Å; E478-R480 IonicContact OE1-NH2 2.83Å; E478-R480 PolarHBondContact OE1-NH2 2.98Å
481	P	34	Very low	29.2	Very low	115 Å²	115	148.4 Å²	148.4	75%	0.747	78%	0.78	S	S	*	*			trans	-105.2	166.2	-166.7	40.1	-35.4	0	0	0	115.7
482	I	31.9	Very low	29.4	Very low	158 Å²	158	149 Å²	149	81%	0.81	78%	0.78	S	S	*	*			trans	-170.5	148.7	161.7	-95.7	143.1	0	0	0	106
483	S	25.1	Very low	29.1	Very low	71 Å²	71	150.6 Å²	150.6	50%	0.497	78%	0.778	S	S	.	*			cis	160.3	167.1	-36	56.2	0	0	0	0	107.2
484	Y	30.3	Very low	29.1	Very low	206 Å²	206	145.4 Å²	145.4	81%	0.808	77%	0.772	S	S	*	*			trans	78.3	148.4	176	-43.2	-65.9	0	0	0	117.8
485	S	29.4	Very low	28.8	Very low	96 Å²	96	144.2 Å²	144.2	67%	0.671	77%	0.772	S	S	*	*			cis	-171.1	149	-34.1	-104.2	0	0	0	0	111.9
486	L	28.3	Very low	28.7	Very low	172 Å²	172	146.3 Å²	146.3	90%	0.901	77%	0.774	S	S	*	*			trans	17.3	139.4	152.7	-69.3	75	0	0	0	121.4
487	G	29.6	Very low	29	Very low	81 Å²	81	145.9 Å²	145.9	84%	0.835	77%	0.772	S	S	*	*			trans	165	75.6	150.5	0	0	0	0	0	120.7
488	T	23.8	Very low	29	Very low	142 Å²	142	144 Å²	144	87%	0.871	77%	0.768	S	S	*	*			trans	-78.9	148	150.3	19.2	0	0	0	0	109.3
489	P	33	Very low	29.1	Very low	117 Å²	117	140 Å²	140	76%	0.76	76%	0.764	S	S	*	*				-160	166	72.9	43.4	-22.4	0	0	0	119.9
490	A	26.9	Very low	29	Very low	84 Å²	84	144.8 Å²	144.8	69%	0.694	77%	0.768	S	S	*	*			trans	33.5	128.8	136.3	0	0	0	0	0	125.1
491	Y	24.7	Very low	29.1	Very low	227 Å²	227	141 Å²	141	89%	0.89	76%	0.762	S	S	*	*			trans	83.6	149.8	131.5	-103.7	-94.4	0	0	0	124
492	K	29	Very low	29	Very low	184 Å²	184	142.7 Å²	142.7	80%	0.8	77%	0.765	S	S	*	*			trans	85.4	98.5	159.2	-69.3	-178.3	-178.8	174.3	0	122.5
493	R	24.7	Very low	28.9	Very low	231 Å²	231	138.6 Å²	138.6	87%	0.872	76%	0.762	S	S	*	*				47.3	134.2	110.1	-85.3	-167.3	-179.6	-179.9	2	123.2
494	T	25.4	Very low	29.1	Very low	126 Å²	126	138.6 Å²	138.6	77%	0.773	77%	0.773	S	S	*	*			trans	87.5	139.3	131.4	47.6	0	0	0	0	124.5
495	A	27.8	Very low	29	Very low	84 Å²	84	133.9 Å²	133.9	69%	0.694	77%	0.77	S	S	*	*			trans	77.1	150.3	152.1	0	0	0	0	0	118.1
496	Q	29	Very low	29	Very low	163 Å²	163	137.1 Å²	137.1	76%	0.762	78%	0.775	S	S	*	*			cis	-161.6	-178	-14.2	-122.4	175.9	-79	0	0	111.4
497	H	33.4	Very low	28.9	Very low	161 Å²	161	135.3 Å²	135.3	75%	0.745	77%	0.77	S	S	*	*			trans	71.1	154	175	-59.4	-73.3	0	0	0	117.2
498	D	31.6	Very low	28.8	Very low	146 Å²	146	135.4 Å²	135.4	78%	0.781	76%	0.764	S	S	*	*			cis	-169.9	162.8	-46.2	-94.9	-37.5	0	0	0	107.6
499	G	31.7	Very low	28.7	Very low	58 Å²	58	137.1 Å²	137.1	60%	0.598	76%	0.764	S	S	*	*			cis	-148.5	-98	-7.7	0	0	0	0	0	109.4
500	Y	29.9	Very low	28.4	Very low	206 Å²	206	136.4 Å²	136.4	81%	0.808	76%	0.762	S	S	*	*			cis	-167.2	126.8	-35.2	-164.2	-125.3	0	0	0	110.9
501	L	32.1	Very low	28.4	Very low	132 Å²	132	140.4 Å²	140.4	69%	0.691	77%	0.766	S	S	*	*			trans	57	154.6	170.2	-59.8	-178.4	0	0	0	120.4
502	D	30.9	Very low	28.5	Very low	152 Å²	152	136.2 Å²	136.2	81%	0.813	76%	0.758	S	S	*	*			cis	-167	156.3	-29.9	-172	27.1	0	0	0	111.5
503	G	30.9	Very low	28.3	Very low	71 Å²	71	135.9 Å²	135.9	73%	0.732	76%	0.757	S	S	*	*			trans	68.4	141.6	157.2	0	0	0	0	0	120.4
504	G	29.3	Very low	28.4	Very low	71 Å²	71	131.9 Å²	131.9	73%	0.732	75%	0.752	S	S	*	*			cis	153.9	149	-10.1	0	0	0	0	0	113.8
505	S	28.4	Very low	28.6	Very low	108 Å²	108	131.5 Å²	131.5	76%	0.755	75%	0.752	S	S	*	*			trans	66.3	158.6	165.6	-69.3	0	0	0	0	118.4
506	Q	28.5	Very low	28.5	Very low	164 Å²	164	139 Å²	139	77%	0.766	76%	0.762	S	S	*	*			cis	-160.1	137.8	-19.3	-112.9	174.6	32.2	0	0	111
507	V	26	Very low	28.3	Very low	133 Å²	133	135.6 Å²	135.6	81%	0.806	76%	0.762	S	S	*	*				55.4	152.9	118.8	175.3	0	0	0	0	122.1
508	A	27.3	Very low	28.1	Very low	84 Å²	84	132.5 Å²	132.5	69%	0.694	76%	0.764	S	S	*	*			trans	73.3	121.3	176.8	0	0	0	0	0	114.9
509	M	22.6	Very low	27.8	Very low	177 Å²	177	130.3 Å²	130.3	87%	0.872	76%	0.76	S	S	*	*			cis	66.7	81.1	16.7	-154.3	-153.4	-60.6	0	0	115.5
510	S	26.8	Very low	27.6	Very low	103 Å²	103	135.5 Å²	135.5	72%	0.72	77%	0.769	S	S	*	*			trans	-171.4	116	156.3	-84.7	0	0	0	0	107.5
511	H	26.2	Very low	27.5	Very low	167 Å²	167	131.4 Å²	131.4	77%	0.773	77%	0.765	S	S	*	*				88.4	147.8	76.6	-82.9	-60.3	0	0	0	114
512	L	26.1	Very low	27.2	Very low	139 Å²	139	129.7 Å²	129.7	73%	0.728	76%	0.764	S	S	*	*			trans	75.3	97.7	156.6	-67.2	156.1	0	0	0	120.6
513	F	25.7	Very low	27.1	Very low	178 Å²	178	130.2 Å²	130.2	78%	0.781	77%	0.766	S	S	*	*				85.4	117.1	112.7	-84.2	-152.9	0	0	0	123.1
514	L	25.9	Very low	27	Very low	147 Å²	147	130.1 Å²	130.1	77%	0.77	77%	0.765	S	S	*	*			trans	67.8	139.5	138.1	-86.5	83.1	0	0	0	121.7
515	P	29.6	Very low	26.9	Very low	118 Å²	118	135.2 Å²	135.2	77%	0.766	77%	0.767	S	S	*	*			trans	-96.1	158.8	175.3	38.8	-35	0	0	0	113.3
516	R	26.3	Very low	27	Very low	241 Å²	241	140 Å²	140	91%	0.909	77%	0.768	S	S	*	*			trans	-162.3	119.9	157.5	-131.1	176.5	179.2	164.2	0.3	115.7
517	A	26.3	Very low	27.1	Very low	92 Å²	92	142.3 Å²	142.3	76%	0.76	77%	0.77	S	S	*	*			trans	50.6	174	133.5	0	0	0	0	0	122.3
518	A	28.9	Very low	27.2	Very low	96 Å²	96	140.6 Å²	140.6	79%	0.793	76%	0.764	S	S	*	*			trans	63.4	99.6	-177.1	0	0	0	0	0	113.8
519	S	25.2	Very low	27.3	Very low	99 Å²	99	142.3 Å²	142.3	69%	0.692	77%	0.771	S	S	*	*			cis	86.8	144.8	43.3	-157.4	0	0	0	0	114.6
520	E	26.8	Very low	27.7	Very low	168 Å²	168	138.3 Å²	138.3	79%	0.785	77%	0.766	S	S	*	*			trans	77	126.7	155.6	-82	148	-97.9	0	0	123
521	V	27	Very low	28.1	Very low	119 Å²	119	138.5 Å²	138.5	72%	0.721	77%	0.765	S	S	*	*			trans	93.2	78.3	130.1	174.1	0	0	0	0	119.3
522	S	26.6	Very low	28.4	Very low	96 Å²	96	138.2 Å²	138.2	67%	0.671	76%	0.763	S	S	*	*				88.8	148.6	103.6	-70.8	0	0	0	0	123
523	L	28.8	Very low	28.6	Very low	163 Å²	163	136.7 Å²	136.7	85%	0.853	76%	0.756	S	S	*	*			trans	66.4	116.5	147.8	-72.4	160.4	0	0	0	119.5
524	G	28.1	Very low	28.9	Very low	69 Å²	69	136.7 Å²	136.7	71%	0.711	76%	0.756	S	S	*	*				154.1	73.1	120.8	0	0	0	0	0	121.7
525	K	28.9	Very low	29.1	Very low	179 Å²	179	133.8 Å²	133.8	78%	0.778	75%	0.753	S	S	*	*			trans	55.4	124.3	131.8	-72.9	172.1	178.7	165.8	0	121.3
526	R	29.8	Very low	29.1	Very low	208 Å²	208	137.2 Å²	137.2	79%	0.785	76%	0.756	S	S	*	*			trans	95.7	130.9	132.6	-74.3	169.5	170.5	-165.5	-2.7	120.9
527	R	30.4	Very low	29.4	Very low	213 Å²	213	131.6 Å²	131.6	80%	0.804	75%	0.748	S	S	*	*			trans	60	112.5	140.8	-66.8	180	177.5	-162	-3.7	117.3
528	S	28	Very low	29.6	Very low	96 Å²	96	133.1 Å²	133.1	67%	0.671	75%	0.754	S	S	*	*			cis	101.2	141.1	42.1	67.6	0	0	0	0	113.4
529	S	29.6	Very low	29.7	Very low	120 Å²	120	131.6 Å²	131.6	84%	0.839	75%	0.747	S	S	*	*			trans	69.5	139.5	173.3	38.2	0	0	0	0	118.6
530	A	30.5	Very low	29.9	Very low	93 Å²	93	133.4 Å²	133.4	77%	0.769	75%	0.753	S	S	*	*			trans	-89	-162.3	173.2	0	0	0	0	0	110.3
531	P	35.1	Very low	30	Very low	107 Å²	107	132.5 Å²	132.5	70%	0.695	75%	0.753	S	S	*	*			cis	-152.4	-172.4	41.4	43.7	-21.3	0	0	0	118.8
532	H	32.3	Very low	30	Very low	162 Å²	162	132.9 Å²	132.9	75%	0.75	76%	0.756	S	S	*	*			trans	80.2	126.7	146.5	-87.3	-69.1	0	0	0	124.3
533	D	30	Very low	30.1	Very low	106 Å²	106	135.3 Å²	135.3	57%	0.567	76%	0.76	S	S	*	*				95.8	127.3	126.1	-87	15.8	0	0	0	126.2
534	K	32.3	Very low	30.1	Very low	179 Å²	179	134.7 Å²	134.7	78%	0.778	76%	0.756	S	S	*	*			trans	87.9	101	133.4	-74.1	167.3	178.7	130.6	0	123.3
535	A	30.9	Very low	30.1	Very low	86 Å²	86	138.5 Å²	138.5	71%	0.711	76%	0.761	S	S	*	*				89.1	123.5	105.9	0	0	0	0	0	124.3
536	K	29.9	Very low	30.3	Very low	189 Å²	189	134.6 Å²	134.6	82%	0.822	75%	0.754	S	S	*	*				90.2	126.3	127.6	-85.4	-170.4	174.8	-175	0	124.4
537	T	31.5	Very low	30.3	Very low	124 Å²	124	130 Å²	130	76%	0.761	75%	0.753	S	S	*	*			trans	86.9	125.1	130.7	48.5	0	0	0	0	125
538	S	30.7	Very low	30.3	Very low	124 Å²	124	127.9 Å²	127.9	87%	0.867	76%	0.755	S	S	*	*			trans	74.9	137.5	144.3	-153.9	0	0	0	0	119.3
539	G	31.4	Very low	30.3	Very low	63 Å²	63	126.5 Å²	126.5	65%	0.649	75%	0.749	S	S	*	*			cis	157.3	176.9	-7.3	0	0	0	0	0	113.1
540	V	29.5	Very low	30.2	Very low	137 Å²	137	127.5 Å²	127.5	83%	0.83	75%	0.745	S	S	*	*			trans	71.1	130.9	162.9	172.5	0	0	0	0	116.1
541	L	28.4	Very low	30.1	Very low	150 Å²	150	129.3 Å²	129.3	79%	0.785	74%	0.741	S	S	*	*			cis	-143.2	-154.3	3.6	-156.8	58	0	0	0	111.2
542	T	28.1	Very low	29.8	Very low	127 Å²	127	129 Å²	129	78%	0.779	74%	0.742	S	S	*	*			trans	-164.5	149.1	-176.4	-61.7	0	0	0	0	110.1
543	I	28.6	Very low	29.7	Very low	147 Å²	147	125.7 Å²	125.7	75%	0.754	74%	0.743	S	S	*	*			trans	-158.2	126.3	161	-103.4	150.9	0	0	0	114
544	L	29	Very low	29.7	Very low	149 Å²	149	124.6 Å²	124.6	78%	0.78	75%	0.748	S	S	*	*			trans	39.4	130.5	150.2	-50.5	177.2	0	0	0	121.7
545	N	26.6	Very low	29.7	Very low	149 Å²	149	123.1 Å²	123.1	80%	0.797	74%	0.744	S	S	*	*			cis	83.4	157.4	12.8	-134.1	32.6	0	0	0	115.8
546	P	34.8	Very low	29.8	Very low	98 Å²	98	123.8 Å²	123.8	64%	0.636	73%	0.731	S	S	*	*				-138.2	-144.8	-76.2	44.7	-28.3	0	0	0	114.6
547	S	28.3	Very low	30	Very low	110 Å²	110	117.7 Å²	117.7	77%	0.769	71%	0.712	S	S	*	*			trans	92.9	153.3	155.4	91.8	0	0	0	0	118.5
548	M	30.3	Very low	30	Very low	170 Å²	170	115 Å²	115	84%	0.837	69%	0.693	S	S	*	*			cis	-169.6	164.4	-4.8	-116.1	-86.3	-82.2	0	0	114
549	A	29	Very low	29.9	Very low	66 Å²	66	113.3 Å²	113.3	55%	0.545	68%	0.68	S	S	.	*			trans	61	138.2	152.4	0	0	0	0	0	121.7
550	N	27.8	Very low	30	Very low	142 Å²	142	114.2 Å²	114.2	76%	0.759	68%	0.681	S	S	*	*			cis	82.3	144.3	42.8	-67.1	58.6	0	0	0	113.6
551	D	27.4	Very low	30.2	Very low	130 Å²	130	113.7 Å²	113.7	70%	0.695	68%	0.679	S	S	*	*			cis	-161.9	158.4	0.7	-122.8	-31.3	0	0	0	116.1
552	S	29.6	Very low	30.4	Very low	101 Å²	101	110.8 Å²	110.8	71%	0.706	67%	0.671	S	S	*	*			trans	35.2	140.3	143.6	83.2	0	0	0	0	128.1
553	A	30.5	Very low	30.5	Very low	93 Å²	93	112 Å²	112	77%	0.769	67%	0.667	S	S	*	*				105.8	144	119.8	0	0	0	0	0	125.6
554	A	29.4	Very low	30.5	Very low	83 Å²	83	112.4 Å²	112.4	69%	0.686	67%	0.667	S	S	*	*			trans	74.9	148.4	147.2	0	0	0	0	0	121.2
555	H	31.4	Very low	30.6	Very low	147 Å²	147	111.3 Å²	111.3	68%	0.681	66%	0.657	S	S	*	*			cis	-169.1	151.2	-11.8	-110.2	-15.5	0	0	0	113.4
556	K	32.8	Very low	30.8	Very low	100 Å²	100	109.2 Å²	109.2	44%	0.435	64%	0.643	S	S	.	*			trans	62.8	141.1	141.8	-70.3	165.3	-164.3	-143.2	0	119.3	I61 Q62	I61-K556 HydrophobicContact CG2-CB 4.49Å; I61-K556 HydrophobicContact CG2-CD 4.44Å; I61-K556 HydrophobicContact CG2-CG 3.52Å; I61-K556 WeakPolarHBondContact O-CD 3.07Å; I61-K556 WeakPolarHBondContact O-CE 3.48Å; I61-K556 PolarHBondContact O-NZ 3.34Å; Q62-K556 HydrophobicContact CB-CD 4.48Å; Q62-K556 HydrophobicContact CG-CD 4.29Å
557	S	34.2	Very low	30.7	Very low	62 Å²	62	110.3 Å²	110.3	43%	0.434	64%	0.637	S	S	.	*			cis	-163.1	-157.2	10.3	51.1	0	0	0	0	110.1	S59 Q62	S59-S557 CarbonylContact O-C 3.59Å; Q62-S557 VanDerWaalsContact CD-OG 3.3Å; Q62-S557 PolarHBondContact OE1-OG 2.81Å
558	N	32.3	Very low	30.7	Very low	68 Å²	68	109.7 Å²	109.7	36%	0.364	62%	0.621	S	S	.	*			cis	-159.3	-175.9	4.7	-143.1	-12.4	0	0	0	114.2	S59 Q62	S59-N558 VanDerWaalsContact O-CA 3.25Å; S59-N558 WeakPolarHBondContact O-CA 3.27Å; S59-N558 PolarHBondContact O-N 2.83Å; Q62-N558 PolarHBondContact OE1-ND2 3.14Å
559	C	29.3	Very low	30.8	Very low	88 Å²	88	107 Å²	107	60%	0.595	61%	0.606	S	S	*	*			trans	-59.3	174.7	172	-81.1	0	0	0	0	119.1
560	A	32.9	Very low	30.9	Very low	81 Å²	81	111.4 Å²	111.4	67%	0.669	62%	0.615	S	S	*	*			cis	-176.7	-166.5	-20.4	0	0	0	0	0	108.4
561	T	33.1	Very low	30.9	Very low	126 Å²	126	107.9 Å²	107.9	77%	0.773	61%	0.606	S	S	*	*			cis	-163.2	150.3	7.5	-22.5	0	0	0	0	111.9
562	S	32.3	Very low	30.9	Very low	89 Å²	89	108 Å²	108	62%	0.622	60%	0.602	S	S	*	*			trans	43.7	174.1	144.5	69.2	0	0	0	0	124
563	E	30.6	Very low	30.8	Very low	152 Å²	152	111 Å²	111	71%	0.71	61%	0.605	S	S	*	*			cis	-161.4	151.5	16.4	-144.2	134.2	-99.2	0	0	115.9
564	Q	29.1	Very low	30.6	Very low	157 Å²	157	110.8 Å²	110.8	73%	0.734	60%	0.598	S	S	*	*			trans	55.2	149.9	150.1	-82.5	-179.8	-55.8	0	0	123.8
565	E	30.9	Very low	30.6	Very low	126 Å²	126	116.7 Å²	116.7	59%	0.589	60%	0.603	S	S	*	*			cis	-156.1	-128.8	-10.4	-148.9	-168.7	-91.9	0	0	115.8	K567	E565-K567 IonicContact OE2-NZ 3.18Å; E565-K567 PolarHBondContact OE2-NZ 3.48Å
566	E	31.6	Very low	30.4	Very low	105 Å²	105	115 Å²	115	49%	0.491	60%	0.599	S	S	.	*			trans	-145.2	-165.6	-146.8	-166	-97.4	130.2	0	0	116.1	F568 R788	E566-F568 WeakPolarHBondContact OE1-CD2 3.48Å; E566-F568 VanDerWaalsContact OE1-CE2 3.28Å; E566-F568 WeakPolarHBondContact OE1-CE2 3.49Å; E566-R788 IonicContact OE1-CZ 2.85Å; E566-R788 IonicContact OE1-NH1 2.67Å; E566-R788 PolarHBondContact OE1-NH1 3.18Å; E566-R788 IonicContact OE1-NH2 3.52Å
567	K	31.5	Very low	30.1	Very low	120 Å²	120	116.2 Å²	116.2	52%	0.522	61%	0.61	S	S	.	*			trans	124.9	164.8	152.9	-64.6	169	171.2	50.3	0	121	E565 R788	E565-K567 IonicContact OE2-NZ 3.18Å; E565-K567 PolarHBondContact OE2-NZ 3.48Å; K567-R788 WeakPolarHBondContact O-CD 3.46Å; K567-R788 PolarHBondContact O-NH1 3.17Å
568	F	29.5	Very low	29.8	Very low	98 Å²	98	121.5 Å²	121.5	43%	0.43	63%	0.625	S	S	.	*			trans	-89.2	179.1	-134.5	-90.9	-105.9	0	0	0	119.2	E566 R788 P789 I790	E566-F568 WeakPolarHBondContact OE1-CD2 3.48Å; E566-F568 VanDerWaalsContact OE1-CE2 3.28Å; E566-F568 WeakPolarHBondContact OE1-CE2 3.49Å; F568-R788 VanDerWaalsContact C-CD 3.48Å; F568-R788 WeakPolarHBondContact O-CB 3.47Å; F568-P789 CarbonylContact O-C 3.59Å; F568-I790 PolarHBondContact O-N 3.49Å; F568-I790 VanDerWaalsContact O-N 3.11Å
569	Q	31.9	Very low	29.6	Very low	112 Å²	112	123.2 Å²	123.2	52%	0.523	64%	0.642	S	S	.	*			cis	-149.8	-111.1	31	-161.7	96.1	21.3	0	0	119.8	P789	Q569-P789 PolarHBondContact N-O 3.45Å
570	H	30.3	Very low	29.4	Very low	159 Å²	159	126.9 Å²	126.9	74%	0.736	66%	0.655	S	S	*	*			trans	-122.8	-172.1	-153.2	-81.6	-48.2	0	0	0	114.9
571	A	28.3	Very low	29.2	Very low	68 Å²	68	129.8 Å²	129.8	56%	0.562	66%	0.658	S	S	*	*			cis	175.1	175.8	-40.9	0	0	0	0	0	111.5
572	H	27.7	Very low	29.1	Very low	133 Å²	133	130.8 Å²	130.8	62%	0.616	66%	0.658	S	S	*	*			trans	71.1	152.6	168.1	-58.4	-48.2	0	0	0	118.5	D296	D296-H572 IonicContact OD1-CE1 3.72Å; D296-H572 IonicContact OD2-CE1 3.88Å; D296-H572 PolarHBondContact OD2-CE1 3.4Å; D296-H572 IonicContact OD2-NE2 2.7Å
573	Q	27.6	Very low	28.8	Very low	163 Å²	163	135.6 Å²	135.6	76%	0.762	67%	0.667	S	S	*	*			cis	-161.8	173.3	-5.2	-123.9	176.3	25.5	0	0	113.5
574	S	26.2	Very low	28.7	Very low	89 Å²	89	134.8 Å²	134.8	62%	0.622	67%	0.667	S	S	*	*			trans	90.3	96.4	140.7	-175.4	0	0	0	0	122.5
575	R	28.5	Very low	28.7	Very low	208 Å²	208	133.3 Å²	133.3	79%	0.785	66%	0.664	S	S	*	*				94.9	130.4	119.1	-75.9	-174.1	128.3	106.4	7.1	123.9
576	D	28.5	Very low	28.7	Very low	112 Å²	112	136.3 Å²	136.3	60%	0.599	68%	0.678	S	S	*	*			trans	57.1	118.2	130.8	-48.8	-15.6	0	0	0	120.1
577	N	26.7	Very low	28.5	Very low	124 Å²	124	137.5 Å²	137.5	66%	0.663	68%	0.683	S	S	*	*				-170.9	128.8	103.2	-100.4	-76.3	0	0	0	114.2
578	K	26.4	Very low	28.2	Very low	173 Å²	173	142 Å²	142	75%	0.752	70%	0.697	S	S	*	*			trans	42.9	110.2	136.3	-59.5	-177.4	-175.6	95.2	0	120.3
579	S	28.5	Very low	28.1	Very low	105 Å²	105	141.9 Å²	141.9	73%	0.734	71%	0.708	S	S	*	*				20.5	110.7	126.8	61.2	0	0	0	0	119
580	L	26.4	Very low	28	Very low	165 Å²	165	142.4 Å²	142.4	86%	0.864	72%	0.721	S	S	*	*			trans	179.3	97.8	137	-102.7	162.7	0	0	0	111.6
581	L	28.2	Very low	27.9	Very low	141 Å²	141	139.8 Å²	139.8	74%	0.738	72%	0.721	S	S	*	*			trans	-160.2	72.9	139.1	-137.8	75.4	0	0	0	112.9	L584	L581-L584 HydrophobicContact CD2-CD1 4.12Å; L581-L584 HydrophobicContact CD2-CG 4.31Å
582	I	31.4	Very low	27.7	Very low	148 Å²	148	140.7 Å²	140.7	76%	0.759	72%	0.719	S	S	*	*			trans	-63.2	142.7	153.2	-76.3	169.4	0	0	0	108
583	K	25.2	Very low	27.6	Very low	190 Å²	190	144.6 Å²	144.6	83%	0.826	74%	0.735	S	S	*	*			trans	68.9	77.7	179.2	-63.1	160.4	179.8	-179.8	0	116.4
584	L	29.2	Very low	27.3	Very low	135 Å²	135	141.8 Å²	141.8	71%	0.707	72%	0.724	S	S	*	*			trans	-132.7	108	131.8	-80.5	-178.4	0	0	0	110.2	L581	L581-L584 HydrophobicContact CD2-CD1 4.12Å; L581-L584 HydrophobicContact CD2-CG 4.31Å
585	L	29.3	Very low	27.2	Very low	126 Å²	126	146.4 Å²	146.4	66%	0.66	74%	0.741	S	S	*	*			trans	51.2	111.1	146	-49.8	174.5	0	0	0	116.5
586	E	30.6	Very low	26.9	Very low	188 Å²	188	143.1 Å²	143.1	88%	0.879	73%	0.734	S	S	*	*			cis	47.2	50.5	41.4	-157.1	-174.4	-145.9	0	0	112.8
587	Q	26.2	Very low	26.8	Very low	130 Å²	130	144 Å²	144	61%	0.607	74%	0.744	S	S	*	*			trans	-166.6	136.6	154.2	-116.7	166.3	80.4	0	0	114.5
588	R	26	Very low	26.7	Very low	216 Å²	216	141.9 Å²	141.9	82%	0.815	74%	0.739	S	S	*	*			trans	69.9	141.8	158.5	-57.6	169.8	-170.5	178.2	1.4	118
589	S	26.7	Very low	26.6	Very low	94 Å²	94	139.4 Å²	139.4	66%	0.657	74%	0.739	S	S	*	*			cis	-170	137.3	-21.6	43.1	0	0	0	0	110
590	P	30.7	Very low	26.5	Very low	124 Å²	124	138.8 Å²	138.8	81%	0.805	73%	0.734	S	S	*	*			trans	-74.5	144.9	165	32.4	-33.6	0	0	0	110.5
591	S	28.4	Very low	26.4	Very low	103 Å²	103	137.7 Å²	137.7	72%	0.72	73%	0.729	S	S	*	*			trans	-154.4	103.8	167	-79.8	0	0	0	0	112.8
592	T	24.1	Very low	26.3	Very low	87 Å²	87	138 Å²	138	53%	0.534	73%	0.731	S	S	.	*				56.2	113.5	101.5	-55.2	0	0	0	0	118.3	I594	T592-I594 HydrophobicContact CG2-CD1 4.17Å; T592-I594 HydrophobicContact CG2-CG1 4.2Å
593	F	24.1	Very low	26.1	Very low	216 Å²	216	135.7 Å²	135.7	95%	0.947	73%	0.727	S	S	*	*				-128.6	138.7	98.2	-101.9	-80.5	0	0	0	111.4
594	I	22.9	Very low	26.1	Very low	104 Å²	104	131.8 Å²	131.8	53%	0.533	72%	0.724	S	S	.	*			trans	-114.1	141	-173.7	-66.1	160.6	0	0	0	108.7	T592 Q596	T592-I594 HydrophobicContact CG2-CD1 4.17Å; T592-I594 HydrophobicContact CG2-CG1 4.2Å; I594-Q596 HydrophobicContact CG2-CB 3.68Å
595	L	22.3	Very low	26	Very low	185 Å²	185	131.4 Å²	131.4	97%	0.969	73%	0.731	S	S	*	*			trans	-133.5	128.6	138.4	-90.5	178.2	0	0	0	109.2
596	Q	23.5	Very low	25.9	Very low	139 Å²	139	132.4 Å²	132.4	65%	0.65	73%	0.732	S	S	*	*			trans	-138.3	129.4	-164.9	173.6	-158.7	-26.1	0	0	111	I594 S598	I594-Q596 HydrophobicContact CG2-CB 3.68Å; Q596-S598 PolarHBondContact NE2-OG 2.89Å
597	T	25.8	Very low	25.6	Very low	130 Å²	130	131.5 Å²	131.5	80%	0.798	73%	0.726	S	S	*	*			trans	-147.3	117.3	143.6	47.6	0	0	0	0	107.6
598	S	24.6	Very low	25.6	Very low	80 Å²	80	133 Å²	133	56%	0.559	74%	0.736	S	S	*	*				69.7	126.1	63.1	-59.3	0	0	0	0	111.4	Q596	Q596-S598 PolarHBondContact NE2-OG 2.89Å
599	T	25.3	Very low	25.6	Very low	122 Å²	122	129.3 Å²	129.3	75%	0.748	73%	0.732	S	S	*	*			cis	-155.9	149	11.5	48.4	0	0	0	0	114.9
600	S	25.3	Very low	25.6	Very low	91 Å²	91	131.8 Å²	131.8	64%	0.636	73%	0.733	S	S	*	*			trans	63.3	121.9	131.7	74	0	0	0	0	124.8
601	N	25.1	Very low	25.5	Very low	143 Å²	143	133.5 Å²	133.5	77%	0.765	73%	0.73	S	S	*	*				96.9	123.7	114.8	-76.1	8.5	0	0	0	125
602	L	25.5	Very low	25.5	Very low	148 Å²	148	134 Å²	134	78%	0.775	73%	0.734	S	S	*	*				105.3	115.5	127.1	-79.7	166.5	0	0	0	123
603	S	27.5	Very low	25.6	Very low	98 Å²	98	139.5 Å²	139.5	69%	0.685	75%	0.75	S	S	*	*			trans	62.1	104.4	138.5	63.9	0	0	0	0	122.8
604	S	24.6	Very low	26	Very low	109 Å²	109	134.2 Å²	134.2	76%	0.762	74%	0.738	S	S	*	*				22.5	126.1	118.2	-172.7	0	0	0	0	120.4
605	C	27.4	Very low	26.2	Very low	126 Å²	126	135.1 Å²	135.1	85%	0.851	75%	0.748	S	S	*	*				-164.2	123.5	120.3	-104.5	0	0	0	0	115.8
606	H	27.1	Very low	26.4	Very low	148 Å²	148	130.9 Å²	130.9	69%	0.685	73%	0.734	S	S	*	*			trans	17.6	124.9	151.2	-93	-32.9	0	0	0	126.1
607	K	25.7	Very low	26.6	Very low	169 Å²	169	131 Å²	131	74%	0.735	74%	0.739	S	S	*	*				70	156.4	122.5	-86.2	175.7	178	166.3	0	122.1
608	I	26	Very low	26.6	Very low	160 Å²	160	130.5 Å²	130.5	82%	0.821	74%	0.736	S	S	*	*			trans	73.6	131.9	167.6	-48.8	-164.2	0	0	0	114.4
609	L	25.8	Very low	26.7	Very low	140 Å²	140	136.6 Å²	136.6	73%	0.733	75%	0.752	S	S	*	*			cis	-166.1	170.2	-23.9	-159.7	68.1	0	0	0	108.2
610	E	26.1	Very low	26.6	Very low	145 Å²	145	140 Å²	140	68%	0.678	76%	0.757	S	S	*	*			trans	71	115.3	157.6	-55.5	-153	166.9	0	0	123.4
611	H	28.2	Very low	26.7	Very low	160 Å²	160	140.7 Å²	140.7	74%	0.741	76%	0.762	S	S	*	*				79	156.7	127.8	-68.8	-41.9	0	0	0	124.4
612	S	28.7	Very low	26.8	Very low	115 Å²	115	139.2 Å²	139.2	80%	0.804	76%	0.762	S	S	*	*			trans	67.3	87.6	174.1	39	0	0	0	0	120.2
613	K	26.2	Very low	26.9	Very low	202 Å²	202	137.2 Å²	137.2	88%	0.878	76%	0.761	S	S	*	*				8.8	159	120.8	-91.5	-162.5	170.1	-179.7	0	120.8
614	P	32.5	Very low	27	Very low	105 Å²	105	142 Å²	142	68%	0.682	77%	0.769	S	S	*	*				-127.3	-159.6	-127.8	42.2	-25.5	0	0	0	113.4
615	T	27.3	Very low	27.1	Very low	123 Å²	123	141.3 Å²	141.3	76%	0.755	77%	0.77	S	S	*	*			trans	137.9	114.2	141.9	54.9	0	0	0	0	116.5
616	S	27.5	Very low	27	Very low	96 Å²	96	139.2 Å²	139.2	67%	0.671	76%	0.762	S	S	*	*				87.4	144.1	128.2	79	0	0	0	0	122.8
617	N	26.7	Very low	27	Very low	140 Å²	140	138.4 Å²	138.4	75%	0.749	76%	0.763	S	S	*	*			trans	67.9	100.8	151.7	-56.2	-25.3	0	0	0	118.1
618	V	25.5	Very low	27	Very low	121 Å²	121	137.7 Å²	137.7	73%	0.733	76%	0.762	S	S	*	*				70.4	115.8	69.7	175	0	0	0	0	113.6
619	K	26.9	Very low	27	Very low	207 Å²	207	137.8 Å²	137.8	90%	0.9	76%	0.762	S	S	*	*			trans	-159.1	145	134.5	-118.7	174.2	-176.1	-177.4	0	114
620	F	24.2	Very low	27.1	Very low	194 Å²	194	134.2 Å²	134.2	85%	0.851	76%	0.759	S	S	*	*			trans	-84.7	149.4	173.6	-77.7	-114.1	0	0	0	111.8
621	S	26.7	Very low	27.1	Very low	106 Å²	106	137.8 Å²	137.8	74%	0.741	77%	0.767	S	S	*	*			trans	-173.9	117.4	133.4	52.6	0	0	0	0	108.6
622	S	26.1	Very low	27	Very low	111 Å²	111	139.6 Å²	139.6	78%	0.776	77%	0.767	S	S	*	*			cis	78.2	101	48.2	80.3	0	0	0	0	114.9
623	S	28.9	Very low	27	Very low	106 Å²	106	139.2 Å²	139.2	74%	0.741	77%	0.765	S	S	*	*			trans	-165.4	124.7	148.7	61	0	0	0	0	113.2
624	K	28.4	Very low	27	Very low	198 Å²	198	132.2 Å²	132.2	86%	0.861	75%	0.75	S	S	*	*			trans	58.1	125.3	136.6	-64.3	178.8	179.6	-178.6	0	118.3
625	A	26.9	Very low	26.7	Very low	95 Å²	95	136.6 Å²	136.6	79%	0.785	76%	0.758	S	S	*	*				66.8	136.3	63.7	0	0	0	0	0	112.6
626	A	26.8	Very low	26.8	Very low	82 Å²	82	136.9 Å²	136.9	68%	0.678	76%	0.755	S	S	*	*			cis	-165.9	178.6	-6.1	0	0	0	0	0	110.6
627	N	26.6	Very low	26.7	Very low	132 Å²	132	139.6 Å²	139.6	71%	0.706	76%	0.756	S	S	*	*			trans	68.2	141.4	151.4	-82.3	31.7	0	0	0	122.2
628	E	25.4	Very low	26.9	Very low	153 Å²	153	140.8 Å²	140.8	72%	0.715	76%	0.757	S	S	*	*			trans	64	113.7	139	-65.7	170.4	114.5	0	0	119.1
629	I	24.9	Very low	26.8	Very low	162 Å²	162	139.1 Å²	139.1	83%	0.831	76%	0.756	S	S	*	*				72.7	94.5	66.9	-62.2	169.4	0	0	0	112.4
630	G	28.2	Very low	26.7	Very low	65 Å²	65	135.1 Å²	135.1	67%	0.67	75%	0.754	S	S	*	*			trans	-174.9	111.9	164.4	0	0	0	0	0	107.1
631	R	26.7	Very low	26.7	Very low	220 Å²	220	130.7 Å²	130.7	83%	0.83	75%	0.747	S	S	*	*				56.5	131.8	75.3	-67.7	-174.7	172.6	-178.2	0.2	111.6
632	R	26.6	Very low	26.7	Very low	198 Å²	198	132.5 Å²	132.5	75%	0.747	75%	0.748	S	S	*	*			cis	-162.3	145.1	21.1	-137.5	176.8	-177.3	166.2	-4.5	112.9
633	S	27.4	Very low	26.6	Very low	108 Å²	108	134.7 Å²	134.7	76%	0.755	75%	0.746	S	S	*	*			trans	39.1	139.2	138.1	63	0	0	0	0	123
634	G	27.6	Very low	26.5	Very low	55 Å²	55	140.7 Å²	140.7	57%	0.567	75%	0.754	S	S	*	*			trans	178	112	138.9	0	0	0	0	0	116.3
635	F	25.9	Very low	26.3	Very low	197 Å²	197	135.2 Å²	135.2	86%	0.864	74%	0.737	S	S	*	*			trans	61.3	140.8	143.3	-65.7	-75.3	0	0	0	118.7
636	L	29	Very low	26.4	Very low	129 Å²	129	139.4 Å²	139.4	68%	0.675	74%	0.741	S	S	*	*			cis	-144.1	143	2.8	-91.2	145.7	0	0	0	107.6
637	Q	25.9	Very low	26.3	Very low	152 Å²	152	140.8 Å²	140.8	71%	0.71	74%	0.736	S	S	*	*				56	147	91.7	-70.5	-171.1	-25.7	0	0	117.8
638	H	29.4	Very low	26.1	Very low	165 Å²	165	143.1 Å²	143.1	76%	0.764	74%	0.741	S	S	*	*			trans	71.7	121.5	-176.7	-56.2	-82.5	0	0	0	113.9
639	A	23.4	Very low	26.1	Very low	86 Å²	86	139.3 Å²	139.3	71%	0.711	73%	0.731	S	S	*	*			cis	72.5	139.8	18.4	0	0	0	0	0	115.7
640	S	26.3	Very low	26	Very low	123 Å²	123	141.6 Å²	141.6	86%	0.86	73%	0.729	S	S	*	*			trans	75	153.7	-162.1	-36	0	0	0	0	112
641	S	23.1	Very low	25.8	Very low	101 Å²	101	144.7 Å²	144.7	71%	0.706	74%	0.735	S	S	*	*			cis	-172.7	-174.5	-21.1	-176.8	0	0	0	0	106
642	L	27.1	Very low	25.7	Very low	144 Å²	144	138.7 Å²	138.7	75%	0.754	73%	0.727	S	S	*	*			trans	67.2	107.7	179.1	-46.9	173.7	0	0	0	112
643	Q	23.2	Very low	25.6	Very low	157 Å²	157	134 Å²	134	73%	0.734	73%	0.725	S	S	*	*			cis	58.1	86.7	26.4	-119.6	-169.4	5.1	0	0	112.5	T645	Q643-T645 HydrophobicContact CG-CG2 4.21Å
644	Y	28.6	Very low	25.5	Very low	233 Å²	233	134.8 Å²	134.8	91%	0.914	72%	0.724	S	S	*	*			trans	-102.9	88.4	149.2	-108.8	-82.4	0	0	0	108.1
645	T	23.9	Very low	25.4	Very low	83 Å²	83	137.3 Å²	137.3	51%	0.509	73%	0.734	S	S	.	*			trans	-75.3	134.4	161.1	46.7	0	0	0	0	109	Q643	Q643-T645 HydrophobicContact CG-CG2 4.21Å
646	E	28.7	Very low	25.4	Very low	183 Å²	183	133.2 Å²	133.2	86%	0.855	73%	0.725	S	S	*	*			trans	179.3	149.7	135.4	-99.8	167.4	-159.6	0	0	108.8
647	N	24	Very low	25.3	Very low	110 Å²	110	136.1 Å²	136.1	59%	0.588	73%	0.732	S	S	*	*			cis	177.6	139.7	-37.1	-112.1	-33.9	0	0	0	105.2
648	F	23.8	Very low	25.3	Very low	182 Å²	182	135.5 Å²	135.5	80%	0.798	73%	0.734	S	S	*	*			trans	63.9	153.1	156.5	-75.3	-129.5	0	0	0	115.2
649	S	24	Very low	25.7	Very low	73 Å²	73	132.6 Å²	132.6	51%	0.51	73%	0.729	S	S	.	*			cis	-168.9	153.6	-9.8	-113.8	0	0	0	0	109
650	R	24	Very low	25.7	Very low	209 Å²	209	133.4 Å²	133.4	79%	0.789	73%	0.73	S	S	*	*			trans	58.3	133.4	138.4	-63	170.7	-179.2	-165.7	-2	120.8
651	T	24	Very low	25.6	Very low	131 Å²	131	134.6 Å²	134.6	80%	0.804	73%	0.726	S	S	*	*			trans	67.4	149.3	136.4	54.6	0	0	0	0	119.5
652	S	23.5	Very low	25.6	Very low	94 Å²	94	133.5 Å²	133.5	66%	0.657	72%	0.724	S	S	*	*			cis	-174	-175.6	-19.6	54.7	0	0	0	0	108.3
653	S	24.8	Very low	25.4	Very low	99 Å²	99	133.4 Å²	133.4	69%	0.692	72%	0.722	S	S	*	*			trans	64.1	111.6	157.5	36.1	0	0	0	0	116.8
654	V	24.8	Very low	25.3	Very low	124 Å²	124	131 Å²	131	75%	0.752	72%	0.722	S	S	*	*				73.3	107.7	61.3	176.8	0	0	0	0	113.7	T656	V654-T656 HydrophobicContact CG1-CG2 4.23Å
655	S	25.4	Very low	25.1	Very low	109 Å²	109	129.1 Å²	129.1	76%	0.762	72%	0.719	S	S	*	*				-176.6	108.9	125.7	-75.5	0	0	0	0	108.3
656	T	26	Very low	25.3	Very low	110 Å²	110	136 Å²	136	68%	0.675	74%	0.736	S	S	*	*				63	111.9	69.4	67.8	0	0	0	0	114.7	V654	V654-T656 HydrophobicContact CG1-CG2 4.23Å
657	K	27.9	Very low	25.2	Very low	190 Å²	190	132.8 Å²	132.8	83%	0.826	73%	0.73	S	S	*	*			trans	154.4	144.9	146.9	-91	166	176.9	-171.8	0	110.7
658	D	26.3	Very low	25.3	Very low	139 Å²	139	131.4 Å²	131.4	74%	0.743	74%	0.735	S	S	*	*			cis	-161.3	164.2	-34.2	-111.1	-25.8	0	0	0	107.5
659	P	36.2	Very low	25.3	Very low	104 Å²	104	128.9 Å²	128.9	68%	0.675	73%	0.729	S	S	*	*			trans	-90.4	-154.6	-176.7	39.2	-37.5	0	0	0	112.5
660	S	24.2	Very low	25.5	Very low	103 Å²	103	132.6 Å²	132.6	72%	0.72	74%	0.738	S	S	*	*			trans	75.5	147.6	-176.8	-5.5	0	0	0	0	113.1
661	D	24.2	Very low	25.5	Very low	148 Å²	148	130 Å²	130	79%	0.791	74%	0.741	S	S	*	*			cis	-145	135.7	2.2	-98.9	-46.1	0	0	0	108.1
662	A	22.8	Very low	25.5	Very low	79 Å²	79	132.5 Å²	132.5	65%	0.653	74%	0.74	S	S	*	*				80.6	172.2	81.6	0	0	0	0	0	114.7
663	I	23.2	Very low	25.4	Very low	141 Å²	141	135 Å²	135	72%	0.723	74%	0.744	S	S	*	*			trans	72.1	102	179.2	-48.6	174	0	0	0	112.4	F665	I663-F665 HydrophobicContact CG2-CD2 4.49Å; I663-F665 HydrophobicContact CG2-CE2 4.12Å
664	C	21.4	Very low	25.4	Very low	108 Å²	108	137.5 Å²	137.5	73%	0.73	74%	0.744	S	S	*	*				59.1	134.9	88.9	-63.1	0	0	0	0	113.4
665	F	23.6	Very low	25.3	Very low	193 Å²	193	135.8 Å²	135.8	85%	0.846	73%	0.734	S	S	*	*			cis	-145.2	141.7	48.6	-83.5	-92.4	0	0	0	115.2	I663	I663-F665 HydrophobicContact CG2-CD2 4.49Å; I663-F665 HydrophobicContact CG2-CE2 4.12Å
666	R	27.7	Very low	25.2	Very low	228 Å²	228	137.6 Å²	137.6	86%	0.86	73%	0.73	S	S	*	*			trans	-75.8	160.4	145.1	-110.5	-173	-173.7	-169.3	3.7	108.1
667	P	28.1	Very low	25	Very low	114 Å²	114	139.4 Å²	139.4	74%	0.74	73%	0.733	S	S	*	*				-155.4	-171.5	54.7	43.8	-23.1	0	0	0	117
668	A	25.1	Very low	24.8	Very low	82 Å²	82	135.3 Å²	135.3	68%	0.678	73%	0.728	S	S	*	*			trans	72.4	151.4	145.1	0	0	0	0	0	117.7
669	D	24.9	Very low	24.7	Very low	128 Å²	128	134.1 Å²	134.1	68%	0.684	73%	0.729	S	S	*	*			cis	-152.5	174.7	-3.1	-139.5	-8.2	0	0	0	112.6
670	Q	26.4	Very low	24.1	Very low	151 Å²	151	136.1 Å²	136.1	71%	0.706	73%	0.73	S	S	*	*			trans	47.6	117.6	152.7	-63.2	155.5	49.3	0	0	118
671	N	24.5	Very low	24.2	Very low	156 Å²	156	140.3 Å²	140.3	83%	0.834	73%	0.73	S	S	*	*			cis	57.4	85.3	13.4	-130.6	20.5	0	0	0	114.3
672	F	23.5	Very low	24.3	Very low	182 Å²	182	138.4 Å²	138.4	80%	0.798	72%	0.72	S	S	*	*			trans	-176.1	140.7	146.6	-112.1	-136.2	0	0	0	108.5
673	M	22.7	Very low	24.5	Very low	148 Å²	148	144.2 Å²	144.2	73%	0.729	73%	0.726	S	S	*	*				56.1	139.8	94	-63	-65.5	-154.9	0	0	114.2
674	H	24	Very low	24.9	Very low	151 Å²	151	143.9 Å²	143.9	70%	0.699	73%	0.725	S	S	*	*			cis	-176.1	171.4	-4.1	-178.6	58	0	0	0	107.8
675	T	23.3	Very low	25.2	Very low	88 Å²	88	145.3 Å²	145.3	54%	0.54	73%	0.725	S	S	.	*			trans	54.7	128.4	154.1	38.4	0	0	0	0	122.7
676	Q	23	Very low	25.4	Very low	147 Å²	147	140.2 Å²	140.2	69%	0.687	72%	0.719	S	S	*	*				79.5	119.4	129.2	-75	-178.4	-66.8	0	0	123.5
677	M	21.8	Very low	25.4	Very low	148 Å²	148	134.7 Å²	134.7	73%	0.729	71%	0.71	S	S	*	*				86.4	152	123	-71	-170.9	-45.9	0	0	121.7
678	S	23.5	Very low	25.5	Very low	103 Å²	103	137.2 Å²	137.2	72%	0.72	71%	0.712	S	S	*	*			trans	70.3	119.1	169.2	-59.1	0	0	0	0	114.8
679	C	24.3	Very low	25.5	Very low	114 Å²	114	140.9 Å²	140.9	77%	0.77	72%	0.72	S	S	*	*				58.5	120.4	66.4	-55.4	0	0	0	0	109.4
680	E	25	Very low	25.7	Very low	146 Å²	146	138.1 Å²	138.1	68%	0.682	72%	0.722	S	S	*	*				-152.1	148.5	59.6	-94.8	-168	131.7	0	0	111.7
681	R	25.9	Very low	25.8	Very low	192 Å²	192	139.3 Å²	139.3	73%	0.725	73%	0.73	S	S	*	*				55.5	142.4	86.6	-65.4	-177.4	179.4	135.4	-5	113.9
682	D	26.4	Very low	26.1	Very low	108 Å²	108	136.4 Å²	136.4	58%	0.578	72%	0.719	S	S	*	*			cis	-159.7	-169.2	-0.7	-116.3	-27.3	0	0	0	109.4
683	Y	27	Very low	26.2	Very low	200 Å²	200	135.2 Å²	135.2	78%	0.784	72%	0.716	S	S	*	*			trans	86.1	129.6	157	-52.5	-57.8	0	0	0	116.7
684	L	30.6	Very low	26.4	Very low	134 Å²	134	134 Å²	134	70%	0.702	71%	0.709	S	S	*	*			cis	-148.6	143.4	0.1	-108.3	164.3	0	0	0	112.2
685	N	27.7	Very low	26.5	Very low	139 Å²	139	133.3 Å²	133.3	74%	0.743	70%	0.704	S	S	*	*			trans	12	150.1	140.5	-61.8	-10.8	0	0	0	119.9
686	A	29	Very low	26.6	Very low	85 Å²	85	137.1 Å²	137.1	70%	0.702	72%	0.715	S	S	*	*			cis	-160.7	141.6	37.3	0	0	0	0	0	115.3
687	T	27.9	Very low	26.6	Very low	112 Å²	112	134.7 Å²	134.7	69%	0.687	71%	0.713	S	S	*	*				52.6	132.7	107.4	-52.7	0	0	0	0	119.4
688	Q	28.1	Very low	26.8	Very low	167 Å²	167	135.3 Å²	135.3	78%	0.78	72%	0.718	S	S	*	*			cis	-169	-178	-8.8	-111	173	10	0	0	106.4
689	L	25.9	Very low	27.1	Very low	159 Å²	159	135.8 Å²	135.8	83%	0.832	72%	0.718	S	S	*	*			cis	-143	-124	8.3	-165.9	67.2	0	0	0	108.1
690	G	29.1	Very low	27.2	Very low	71 Å²	71	137.8 Å²	137.8	73%	0.732	72%	0.721	S	S	*	*			trans	125.9	1.1	134.1	0	0	0	0	0	122
691	M	28.2	Very low	27.2	Very low	176 Å²	176	137.9 Å²	137.9	87%	0.867	72%	0.721	S	S	*	*			trans	-63.5	162.3	168.5	-69.8	-74.3	-84.3	0	0	110.8
692	P	31.4	Very low	27.1	Very low	94 Å²	94	136.4 Å²	136.4	61%	0.61	72%	0.722	S	S	*	*			cis	-152.2	177.2	28.9	45.4	-25.3	0	0	0	119.3
693	Q	25.9	Very low	27	Very low	158 Å²	158	138.9 Å²	138.9	74%	0.738	73%	0.734	S	S	*	*			trans	64.6	162.8	139.9	-76.5	168.9	-9.3	0	0	119.5
694	E	26	Very low	26.9	Very low	123 Å²	123	133.5 Å²	133.5	58%	0.575	73%	0.731	S	S	*	*			cis	-155.1	159.1	2.7	-130.9	178.8	-170	0	0	114.4
695	K	26.6	Very low	26.7	Very low	136 Å²	136	132.4 Å²	132.4	59%	0.591	73%	0.734	S	S	*	*			trans	45.8	121.9	145.7	-77.1	164.1	-161.5	153.4	0	123.5
696	H	26.1	Very low	26.7	Very low	167 Å²	167	129.6 Å²	129.6	77%	0.773	73%	0.73	S	S	*	*				69.8	154.8	121.5	-63.2	-3.4	0	0	0	120
697	C	22.9	Very low	26.7	Very low	96 Å²	96	132.6 Å²	132.6	65%	0.649	74%	0.735	S	S	*	*			cis	-168	164.1	-16.9	-107.5	0	0	0	0	111.2
698	I	24.4	Very low	26.6	Very low	162 Å²	162	134.1 Å²	134.1	83%	0.831	74%	0.738	S	S	*	*			trans	73.3	136.7	155.7	-68	156.4	0	0	0	117.7
699	P	31.7	Very low	26.5	Very low	113 Å²	113	130.4 Å²	130.4	73%	0.734	73%	0.731	S	S	*	*			trans	-105.5	162	-176.7	40.3	-35.6	0	0	0	115.1
700	L	24.9	Very low	26.5	Very low	156 Å²	156	127.1 Å²	127.1	82%	0.817	73%	0.726	S	S	*	*			trans	-144.7	113.1	162.1	-87	177.6	0	0	0	113.5
701	Q	24.6	Very low	26.3	Very low	147 Å²	147	134.5 Å²	134.5	69%	0.687	73%	0.732	S	S	*	*				45.4	118.6	119.7	-162.8	168.4	4.4	0	0	122.1
702	Q	23.9	Very low	26	Very low	161 Å²	161	131.9 Å²	131.9	75%	0.752	73%	0.73	S	S	*	*			trans	47.1	134.9	145.6	-63.1	174.4	-79.9	0	0	122.6
703	I	25	Very low	25.7	Very low	160 Å²	160	134 Å²	134	82%	0.821	73%	0.734	S	S	*	*				-176.5	113.9	129.9	-95.6	151.7	0	0	0	105.9
704	A	25.2	Very low	25.6	Very low	88 Å²	88	133.2 Å²	133.2	73%	0.727	74%	0.735	S	S	*	*				50.8	140.9	103.7	0	0	0	0	0	114.9
705	S	26.5	Very low	25.6	Very low	110 Å²	110	132.1 Å²	132.1	77%	0.769	74%	0.741	S	S	*	*			cis	-147.4	141.9	28.6	-49.1	0	0	0	0	109.1
706	A	26.7	Very low	25.5	Very low	80 Å²	80	129.9 Å²	129.9	66%	0.661	74%	0.742	S	S	*	*				61.8	105.9	75.9	0	0	0	0	0	115.2
707	D	29.8	Very low	25.5	Very low	148 Å²	148	131.7 Å²	131.7	79%	0.791	74%	0.743	S	S	*	*				-156.4	130.1	120	-88.5	-30.3	0	0	0	106.4
708	L	26.4	Very low	25.5	Very low	144 Å²	144	133.9 Å²	133.9	75%	0.754	75%	0.745	S	S	*	*				67.6	134.9	67.4	-81.1	82.1	0	0	0	113.5
709	S	25.8	Very low	25.6	Very low	90 Å²	90	135.2 Å²	135.2	63%	0.629	74%	0.74	S	S	*	*			cis	-174.4	140	-12	51.2	0	0	0	0	112.6
710	A	25.3	Very low	25.4	Very low	89 Å²	89	137 Å²	137	74%	0.736	74%	0.742	S	S	*	*			trans	58.7	167.2	147.8	0	0	0	0	0	117
711	W	24.5	Very low	25.5	Very low	227 Å²	227	133.8 Å²	133.8	86%	0.86	74%	0.738	S	S	*	*			cis	-135.7	163.1	23.9	-86.3	62.1	0	0	0	113.3	I713	W711-I713 HydrophobicContact CE3-CD1 4.29Å; W711-I713 HydrophobicContact CZ3-CD1 4.45Å
712	C	23.3	Very low	25.6	Very low	121 Å²	121	132.5 Å²	132.5	82%	0.818	75%	0.745	S	S	*	*			trans	-95.4	-161.3	172.9	-52.1	0	0	0	0	111.4
713	I	24.6	Very low	25.8	Very low	138 Å²	138	132.1 Å²	132.1	71%	0.708	75%	0.748	S	S	*	*			trans	104.4	90.4	173.8	-58	160.6	0	0	0	110.4	W711	W711-I713 HydrophobicContact CE3-CD1 4.29Å; W711-I713 HydrophobicContact CZ3-CD1 4.45Å
714	D	23.9	Very low	26	Very low	141 Å²	141	128.7 Å²	128.7	75%	0.754	74%	0.738	S	S	*	*				62	112.7	62	-173.8	19.2	0	0	0	113.7
715	S	24.8	Very low	26.2	Very low	100 Å²	100	135.1 Å²	135.1	70%	0.699	75%	0.745	S	S	*	*			trans	-159.9	122	142.8	-95.2	0	0	0	0	113.3
716	S	25.8	Very low	26.3	Very low	89 Å²	89	134 Å²	134	62%	0.622	74%	0.737	S	S	*	*				64.2	131.3	127.9	-64.2	0	0	0	0	118.9
717	R	25.8	Very low	26.6	Very low	206 Å²	206	137.6 Å²	137.6	78%	0.777	74%	0.744	S	S	*	*			cis	-165.9	146.2	10.9	-116.1	168.5	-179.1	-163.4	0.1	110.2
718	M	23.6	Very low	26.4	Very low	141 Å²	141	138.8 Å²	138.8	70%	0.695	75%	0.745	S	S	*	*				30.4	138	117.4	-71.2	-179.6	173.8	0	0	118
719	R	25.7	Very low	26.7	Very low	191 Å²	191	136.5 Å²	136.5	72%	0.721	74%	0.739	S	S	*	*			cis	-179.5	168.2	41.1	-120.3	164.2	-133.6	-173.9	-1.3	106.6
720	L	27.9	Very low	26.9	Very low	151 Å²	151	136.9 Å²	136.9	79%	0.791	74%	0.742	S	S	*	*			cis	-127.9	141.2	4	-71.5	95.7	0	0	0	107.1
721	A	26.9	Very low	27	Very low	88 Å²	88	138 Å²	138	73%	0.727	74%	0.739	S	S	*	*				73.9	98.8	56.8	0	0	0	0	0	113.4
722	S	27.4	Very low	27.1	Very low	120 Å²	120	132.5 Å²	132.5	84%	0.839	73%	0.731	S	S	*	*			trans	-79.6	143.6	164.3	-41.3	0	0	0	0	110.2
723	D	27.2	Very low	27.3	Very low	152 Å²	152	135.1 Å²	135.1	81%	0.813	73%	0.728	S	S	*	*			trans	-65.3	159.7	161.4	-54.2	-68.6	0	0	0	109.6
724	S	29.1	Very low	27.3	Very low	88 Å²	88	135.7 Å²	135.7	62%	0.615	73%	0.731	S	S	*	*			cis	-160.1	151.1	25.9	-37.6	0	0	0	0	111.5
725	Y	29.6	Very low	27.3	Very low	223 Å²	223	136.3 Å²	136.3	88%	0.875	73%	0.734	S	S	*	*			trans	60.9	150	162.6	-60.9	-71.6	0	0	0	117.6
726	S	29.2	Very low	27.4	Very low	86 Å²	86	135.8 Å²	135.8	60%	0.601	74%	0.735	S	S	*	*			cis	-154.9	146.6	-7.1	-132.3	0	0	0	0	111.4
727	I	31.1	Very low	27.3	Very low	157 Å²	157	136.1 Å²	136.1	81%	0.805	74%	0.738	S	S	*	*			trans	58	99.4	147.6	-61	167.8	0	0	0	117.8
728	E	27.6	Very low	27.3	Very low	173 Å²	173	132.8 Å²	132.8	81%	0.808	74%	0.735	S	S	*	*			trans	-53	176	151.6	-103.3	-166.7	-174	0	0	114.6
729	P	31.9	Very low	27.3	Very low	96 Å²	96	129.8 Å²	129.8	62%	0.623	73%	0.728	S	S	*	*			cis	-138	-173	-18.2	30.1	-8.2	0	0	0	113.8
730	S	28.9	Very low	27.3	Very low	98 Å²	98	129.9 Å²	129.9	69%	0.685	73%	0.73	S	S	*	*				121	136.1	122	74.6	0	0	0	0	120.4
731	T	28.2	Very low	27.2	Very low	112 Å²	112	129.5 Å²	129.5	69%	0.687	73%	0.728	S	S	*	*			trans	65.1	89.3	147.1	40.1	0	0	0	0	121.3
732	T	27	Very low	27	Very low	111 Å²	111	135.6 Å²	135.6	68%	0.681	73%	0.732	S	S	*	*				75.4	124.3	116.4	54.1	0	0	0	0	122.4
733	K	26.9	Very low	27	Very low	176 Å²	176	136.5 Å²	136.5	77%	0.765	73%	0.728	S	S	*	*				90	135.4	123.5	-81.6	174.2	-178.9	179.7	0	120.5
734	I	24.9	Very low	26.8	Very low	150 Å²	150	139.2 Å²	139.2	77%	0.769	73%	0.726	S	S	*	*			trans	71.7	107.9	149.1	-64.2	161.2	0	0	0	113.9
735	L	24.5	Very low	26.7	Very low	155 Å²	155	139.9 Å²	139.9	81%	0.812	73%	0.731	S	S	*	*				79.7	82.7	50.7	-161.3	162.1	0	0	0	112.5
736	A	26.4	Very low	26.4	Very low	88 Å²	88	137.1 Å²	137.1	73%	0.727	72%	0.724	S	S	*	*			trans	-146.1	126.2	150.8	0	0	0	0	0	104
737	S	23.9	Very low	26.4	Very low	96 Å²	96	140.9 Å²	140.9	67%	0.671	73%	0.732	S	S	*	*				74.9	143.3	64.8	-59.3	0	0	0	0	112.8
738	D	25.9	Very low	26.1	Very low	136 Å²	136	139.3 Å²	139.3	73%	0.727	73%	0.725	S	S	*	*			trans	67.6	113.3	170.5	-68.1	-66.7	0	0	0	116.6
739	S	23.9	Very low	26.2	Very low	79 Å²	79	139.3 Å²	139.3	55%	0.552	73%	0.725	S	S	*	*				87.1	172.4	56.6	83.1	0	0	0	0	112.5
740	Y	25.3	Very low	25.8	Very low	193 Å²	193	143 Å²	143	76%	0.757	74%	0.736	S	S	*	*			trans	70.3	111.6	-168.2	-55.8	-78.4	0	0	0	113.8
741	L	25.3	Very low	25.9	Very low	143 Å²	143	144.7 Å²	144.7	75%	0.749	74%	0.736	S	S	*	*				70.7	136.9	89	-71.2	-173.1	0	0	0	114.3
742	R	23.7	Very low	25.7	Very low	215 Å²	215	145.6 Å²	145.6	81%	0.811	74%	0.737	S	S	*	*			trans	24.3	130.8	145.9	-56.9	-176.4	-177	-158.9	2.1	117.2
743	D	26.5	Very low	25.9	Very low	140 Å²	140	148.5 Å²	148.5	75%	0.749	74%	0.742	S	S	*	*				-157.6	-177.4	60.5	-128.4	-47.5	0	0	0	116.4
744	R	23.7	Very low	25.8	Very low	208 Å²	208	145.6 Å²	145.6	79%	0.785	74%	0.735	S	S	*	*			trans	-75	158.2	177.5	-57	164.4	166.6	-176.6	-5.5	112.9
745	S	26.2	Very low	26	Very low	102 Å²	102	146.4 Å²	146.4	71%	0.713	74%	0.739	S	S	*	*				162.4	122.2	117.6	-71.4	0	0	0	0	109.8
746	F	23.9	Very low	26	Very low	165 Å²	165	147 Å²	147	72%	0.724	74%	0.738	S	S	*	*				54.7	107.7	87.2	-76.3	-73.4	0	0	0	113.4
747	H	28.9	Very low	26.1	Very low	165 Å²	165	149.9 Å²	149.9	76%	0.764	74%	0.736	S	S	*	*				-165.5	132.1	101.2	-93.1	-65.2	0	0	0	111.5
748	D	24.4	Very low	26.3	Very low	124 Å²	124	155.6 Å²	155.6	66%	0.663	74%	0.743	S	S	*	*				27.4	132.2	124.1	-56.3	-48.5	0	0	0	120.2
749	E	30.6	Very low	26.4	Very low	174 Å²	174	157 Å²	157	81%	0.813	75%	0.749	S	S	*	*				-153.1	145.2	91.7	-109.5	-178.1	171.6	0	0	112.5
750	M	23.4	Very low	26.9	Very low	174 Å²	174	157.7 Å²	157.7	86%	0.857	75%	0.752	S	S	*	*			trans	-124.5	107.6	177.2	173	-160.4	72.9	0	0	107.3
751	I	30.2	Very low	27.1	Very low	133 Å²	133	158.1 Å²	158.1	68%	0.682	76%	0.758	S	S	*	*			trans	-126.7	111.3	175.6	-59.8	-176.7	0	0	0	109.6
752	D	23.9	Very low	27.4	Very low	130 Å²	130	155.3 Å²	155.3	70%	0.695	76%	0.756	S	S	*	*			trans	-78.1	137.3	166.2	171.5	15.6	0	0	0	109.3	N754	D752-N754 PolarHBondContact OD1-N 2.96Å
753	H	31	Very low	27.6	Very low	173 Å²	173	149.2 Å²	149.2	80%	0.801	75%	0.752	S	S	*	*			trans	-158.9	91.2	151.9	-108.5	-58.9	0	0	0	113.7
754	N	24.6	Very low	27.8	Very low	115 Å²	115	149.1 Å²	149.1	62%	0.615	75%	0.751	S	S	*	*			trans	-24.3	132.8	140.9	169.8	21.4	0	0	0	115	D752	D752-N754 PolarHBondContact OD1-N 2.96Å
755	I	30	Very low	28	Very low	167 Å²	167	144.3 Å²	144.3	86%	0.856	75%	0.745	S	S	*	*			trans	-152.1	142.5	143.7	-105	153.7	0	0	0	111.1
756	Q	24.6	Very low	28.3	Very low	167 Å²	167	146 Å²	146	78%	0.78	75%	0.746	S	S	*	*			trans	-110	145.7	-174	-176.5	153.1	-36.6	0	0	110.7
757	E	28.2	Very low	28.3	Very low	149 Å²	149	143.3 Å²	143.3	70%	0.696	75%	0.747	S	S	*	*			trans	-179.5	156.7	138.8	-108.8	-178.7	-150.7	0	0	116.7
758	R	28.2	Very low	28.3	Very low	215 Å²	215	143.7 Å²	143.7	81%	0.811	75%	0.749	S	S	*	*			trans	74.3	82.8	156.1	-68.4	164.6	-152.1	-137.7	-2.5	121.6
759	L	28.8	Very low	28.3	Very low	165 Å²	165	141.8 Å²	141.8	86%	0.864	75%	0.75	S	S	*	*				-77.4	169.6	127.7	-79	164.5	0	0	0	109.7
760	P	32.4	Very low	28.2	Very low	94 Å²	94	139.9 Å²	139.9	61%	0.61	75%	0.75	S	S	*	*				-160.1	166.8	93.1	44.2	-25.2	0	0	0	119.1
761	F	29.5	Very low	28.2	Very low	202 Å²	202	137.7 Å²	137.7	89%	0.886	74%	0.741	S	S	*	*			trans	68.6	145.2	154.2	-57.7	-44.8	0	0	0	120.8
762	A	31.6	Very low	28.1	Very low	84 Å²	84	138 Å²	138	69%	0.694	74%	0.739	S	S	*	*			cis	-166.6	155.9	-14.2	0	0	0	0	0	112.6
763	A	28.8	Very low	28.3	Very low	88 Å²	88	139.6 Å²	139.6	73%	0.727	74%	0.743	S	S	*	*			trans	46.3	155.4	142.7	0	0	0	0	0	121.5
764	D	31.4	Very low	28	Very low	138 Å²	138	135.8 Å²	135.8	74%	0.738	74%	0.736	S	S	*	*			cis	-142.2	135.4	16.8	-91.2	-53.3	0	0	0	109.7
765	T	28.1	Very low	28.1	Very low	106 Å²	106	137.3 Å²	137.3	65%	0.65	74%	0.741	S	S	*	*				80.5	140.2	68.9	70.7	0	0	0	0	118.1
766	N	31.5	Very low	28	Very low	138 Å²	138	138.1 Å²	138.1	74%	0.738	74%	0.741	S	S	*	*			trans	102.4	115.3	167.9	-55.3	-45.8	0	0	0	117.4
767	C	24.9	Very low	28.2	Very low	109 Å²	109	134 Å²	134	74%	0.736	74%	0.743	S	S	*	*				85.7	140.8	66.2	-71	0	0	0	0	112.3
768	E	27.4	Very low	28.2	Very low	172 Å²	172	130.9 Å²	130.9	80%	0.804	75%	0.751	S	S	*	*			cis	-152.1	145.8	2.2	-104.9	161.4	134.4	0	0	107.3
769	A	25.1	Very low	28.1	Very low	85 Å²	85	124.3 Å²	124.3	70%	0.702	75%	0.75	S	S	*	*				74.9	161.9	71.9	0	0	0	0	0	116.2
770	V	27.7	Very low	27.9	Very low	133 Å²	133	124.1 Å²	124.1	81%	0.806	75%	0.749	S	S	*	*			trans	78.3	138.1	173.5	-170.3	0	0	0	0	117
771	L	24.6	Very low	27.7	Very low	129 Å²	129	126.4 Å²	126.4	68%	0.675	76%	0.756	S	S	*	*			cis	-172.8	162	-46	-109.9	166.9	0	0	0	111.3
772	H	28.1	Very low	27.5	Very low	138 Å²	138	125.6 Å²	125.6	64%	0.639	76%	0.758	S	S	*	*			trans	66.4	127.2	148.8	-77	-42.6	0	0	0	124.1
773	Q	27.8	Very low	27.1	Very low	165 Å²	165	126.3 Å²	126.3	77%	0.771	76%	0.755	S	S	*	*			trans	71.1	152.1	132.5	-65.5	175.5	59.6	0	0	119.3
774	S	24.2	Very low	26.8	Very low	93 Å²	93	128.3 Å²	128.3	65%	0.65	76%	0.758	S	S	*	*			cis	-168.2	174.3	-24	-169.4	0	0	0	0	109.3
775	M	27.1	Very low	26.4	Very low	147 Å²	147	125.5 Å²	125.5	72%	0.724	75%	0.754	S	S	*	*			trans	74.2	113	165.2	-58.8	-60.6	174.5	0	0	120.6
776	Q	28.9	Very low	26.2	Very low	184 Å²	184	131 Å²	131	86%	0.86	76%	0.764	S	S	*	*				58.9	126	128.5	-58.3	176.8	6	0	0	121.1
777	G	27.9	Very low	25.9	Very low	79 Å²	79	135.8 Å²	135.8	81%	0.814	77%	0.772	S	S	*	*			trans	152.1	93.7	145.1	0	0	0	0	0	118.3
778	G	27.6	Very low	25.9	Very low	84 Å²	84	135.5 Å²	135.5	87%	0.866	76%	0.755	S	S	*	*			trans	46.6	93.6	146.5	0	0	0	0	0	119.2
779	G	26.5	Very low	25.9	Very low	77 Å²	77	132.3 Å²	132.3	79%	0.794	75%	0.749	S	S	*	*			trans	-75.8	-171.1	-179.4	0	0	0	0	0	116.6
780	L	25.9	Very low	25.8	Very low	161 Å²	161	134.1 Å²	134.1	84%	0.843	75%	0.746	S	S	*	*			trans	-153.3	134.4	140.1	-104.2	170.9	0	0	0	110.6
781	N	26.6	Very low	25.7	Very low	143 Å²	143	135.2 Å²	135.2	77%	0.765	75%	0.746	S	S	*	*	S	Bend	trans	45.8	89.3	158.8	-63.2	-5.4	0	0	0	121.2
782	M	24.9	Very low	25.7	Very low	185 Å²	185	134.3 Å²	134.3	91%	0.911	75%	0.749	S	S	*	*				68.4	134.5	125	-95.3	-78.8	156.8	0	0	121.4
783	P	23.4	Very low	25.5	Very low	98 Å²	98	133.3 Å²	133.3	64%	0.636	76%	0.758	S	S	*	*			trans	-134.9	172.6	-158.1	45.2	-26.7	0	0	0	117.5
784	V	24.3	Very low	25.5	Very low	131 Å²	131	130.8 Å²	130.8	79%	0.794	76%	0.758	S	S	*	*			trans	27.5	107.5	131.9	-171.9	0	0	0	0	119
785	A	22.6	Very low	25.6	Very low	78 Å²	78	130.4 Å²	130.4	65%	0.645	76%	0.761	S	S	*	*				29.1	138.5	122.6	0	0	0	0	0	123.3
786	Y	22.8	Very low	25.5	Very low	223 Å²	223	130.9 Å²	130.9	88%	0.875	77%	0.765	S	S	*	*			trans	56.1	113.7	140.6	-90.3	-84.2	0	0	0	121.7
787	R	24.7	Very low	25.4	Very low	237 Å²	237	128.4 Å²	128.4	89%	0.894	76%	0.758	S	S	*	*				165.8	165	112.6	-92.4	-174.6	177.6	-152.1	-3.7	114.4
788	R	26.1	Very low	25.3	Very low	104 Å²	104	131.2 Å²	131.2	39%	0.392	76%	0.76	S	S	.	*			trans	-102.3	170.9	-179.5	-61.2	134.9	155.8	-179.6	-6	112.4	E566 K567 F568	E566-R788 IonicContact OE1-CZ 2.85Å; E566-R788 IonicContact OE1-NH1 2.67Å; E566-R788 PolarHBondContact OE1-NH1 3.18Å; E566-R788 IonicContact OE1-NH2 3.52Å; K567-R788 WeakPolarHBondContact O-CD 3.46Å; K567-R788 PolarHBondContact O-NH1 3.17Å; F568-R788 VanDerWaalsContact C-CD 3.48Å; F568-R788 WeakPolarHBondContact O-CB 3.47Å
789	P	26.2	Very low	25.2	Very low	105 Å²	105	130.8 Å²	130.8	68%	0.682	76%	0.755	S	S	*	*				-115.4	153.2	128.3	-7.6	28.1	0	0	0	112.3	F568 Q569	F568-P789 CarbonylContact O-C 3.59Å; Q569-P789 PolarHBondContact N-O 3.45Å
790	I	24.7	Very low	25.2	Very low	123 Å²	123	131 Å²	131	63%	0.631	76%	0.758	S	S	*	*			cis	75.5	115.8	30.9	-56.6	173.1	0	0	0	111.1	F568	F568-I790 PolarHBondContact O-N 3.49Å; F568-I790 VanDerWaalsContact O-N 3.11Å
791	I	24.6	Very low	25.2	Very low	155 Å²	155	127.6 Å²	127.6	80%	0.795	75%	0.753	S	S	*	*			cis	-157.5	162.4	5.7	-152.4	176.1	0	0	0	110.6
792	C	24.8	Very low	25.2	Very low	110 Å²	110	128.9 Å²	128.9	74%	0.743	76%	0.759	S	S	*	*				175	167.6	117.8	-158.8	0	0	0	0	112.9
793	S	23.9	Very low	25.5	Very low	118 Å²	118	124.4 Å²	124.4	83%	0.825	74%	0.743	S	S	*	*			trans	-164.1	138.8	168.6	-72.9	0	0	0	0	113.6
794	S	27.8	Very low	25.6	Very low	111 Å²	111	128.3 Å²	128.3	78%	0.776	75%	0.753	S	S	*	*			trans	-179.8	125.3	155.2	53	0	0	0	0	108.3
795	A	25.6	Very low	25.7	Very low	86 Å²	86	126.6 Å²	126.6	71%	0.711	75%	0.746	S	S	*	*			cis	72.4	98.9	47.8	0	0	0	0	0	114.4
796	L	26.5	Very low	25.8	Very low	156 Å²	156	129.7 Å²	129.7	82%	0.817	75%	0.752	S	S	*	*				-177.8	130.3	114.6	-118.2	82.5	0	0	0	114.4
797	N	25.1	Very low	25.8	Very low	132 Å²	132	124.3 Å²	124.3	71%	0.706	75%	0.746	S	S	*	*			trans	55.6	145.9	137	-87.5	-10.1	0	0	0	126.1
798	T	26.6	Very low	25.9	Very low	139 Å²	139	119.2 Å²	119.2	85%	0.853	74%	0.736	S	S	*	*			trans	61.7	132.2	151	51.3	0	0	0	0	119.7
799	G	26	Very low	25.9	Very low	75 Å²	75	120 Å²	120	77%	0.773	75%	0.748	S	S	*	*			cis	164.4	138.4	-5.9	0	0	0	0	0	113.2
800	G	26.3	Very low	25.8	Very low	82 Å²	82	119.3 Å²	119.3	85%	0.845	75%	0.746	S	S	*	*			trans	78.8	164.6	172.5	0	0	0	0	0	116.4
801	A	25.8	Very low	25.9	Very low	89 Å²	89	121.1 Å²	121.1	74%	0.736	75%	0.751	S	S	*	*			cis	-164.6	147.3	-14.4	0	0	0	0	0	112.3
802	L	26.2	Very low	26	Very low	170 Å²	170	121.1 Å²	121.1	89%	0.89	75%	0.748	S	S	*	*			trans	70	158.5	154.4	-67	166.6	0	0	0	119.4
803	P	31.2	Very low	25.9	Very low	90 Å²	90	121.2 Å²	121.2	58%	0.584	75%	0.749	S	S	*	*			trans	-137.1	-160.5	-149.6	34.2	-8.9	0	0	0	114.9
804	H	25.9	Very low	26	Very low	181 Å²	181	125.3 Å²	125.3	84%	0.838	76%	0.755	S	S	*	*			trans	71.6	160.4	176.7	-45.5	-77	0	0	0	114.5
805	S	25.9	Very low	25.7	Very low	94 Å²	94	128.1 Å²	128.1	66%	0.657	76%	0.758	S	S	*	*			cis	-153.7	153	6.8	56.8	0	0	0	0	111.8
806	N	24.8	Very low	25.7	Very low	143 Å²	143	132.5 Å²	132.5	77%	0.765	77%	0.769	S	S	*	*			trans	65.3	133.4	147.4	-65.4	15	0	0	0	118
807	C	23.8	Very low	25.6	Very low	110 Å²	110	129.4 Å²	129.4	74%	0.743	77%	0.765	S	S	*	*				60	136	81.4	-45.5	0	0	0	0	113
808	D	25.8	Very low	26.1	Very low	131 Å²	131	128.9 Å²	128.9	70%	0.701	77%	0.769	S	S	*	*			cis	-163.7	175	16.9	-144.3	-10.5	0	0	0	114.8
809	N	26.5	Very low	26.2	Very low	121 Å²	121	129.1 Å²	129.1	65%	0.647	77%	0.771	S	S	*	*			trans	51.2	106.1	149.8	-71.8	-48.3	0	0	0	120.8
810	S	24.9	Very low	26.2	Very low	89 Å²	89	129.2 Å²	129.2	62%	0.622	76%	0.764	S	S	*	*				110.1	159.6	73.2	72.9	0	0	0	0	113.3
811	Q	26.9	Very low	26.2	Very low	161 Å²	161	134.9 Å²	134.9	75%	0.752	77%	0.766	S	S	*	*			trans	71.7	143.4	165.5	-57.5	-173.1	19	0	0	117.2
812	Q	25.1	Very low	26.3	Very low	155 Å²	155	137.5 Å²	137.5	72%	0.724	76%	0.763	S	S	*	*			cis	-154.3	166	-8	-121.8	170.3	18.9	0	0	112.6
813	C	23.1	Very low	26.3	Very low	113 Å²	113	137.3 Å²	137.3	76%	0.764	76%	0.755	S	S	*	*			trans	-0.2	140.8	161.1	-54.1	0	0	0	0	121.2
814	E	25.4	Very low	26	Very low	203 Å²	203	137.7 Å²	137.7	95%	0.949	76%	0.76	S	S	*	*				-156.3	174.2	100.7	-115.9	-177.3	173.1	0	0	113.4
815	M	22.1	Very low	26	Very low	171 Å²	171	138.1 Å²	138.1	84%	0.842	76%	0.762	S	S	*	*			trans	-146.1	125.9	-150.7	166.5	-164.6	66.9	0	0	112.4
816	L	26.3	Very low	25.9	Very low	178 Å²	178	139.1 Å²	139.1	93%	0.932	77%	0.768	S	S	*	*			trans	-145.2	135.5	169.2	-82.6	176.9	0	0	0	113.3
817	A	23.4	Very low	25.8	Very low	90 Å²	90	138.2 Å²	138.2	74%	0.744	77%	0.768	S	S	*	*			trans	-163.5	-176.5	176.4	0	0	0	0	0	108.6
818	P	35.4	Very low	25.7	Very low	121 Å²	121	142 Å²	142	79%	0.786	78%	0.775	S	S	*	*				-128.3	165.5	-61.8	37.9	-25.2	0	0	0	113.4
819	T	29.6	Very low	25.5	Very low	145 Å²	145	141.1 Å²	141.1	89%	0.89	77%	0.774	S	S	*	*			trans	-156.6	163	171.3	45	0	0	0	0	111.6
820	A	26.2	Very low	25.3	Very low	77 Å²	77	143.3 Å²	143.3	64%	0.636	78%	0.784	S	S	*	*			cis	-176.2	128.8	-34.3	0	0	0	0	0	111.1
821	F	25.1	Very low	25.2	Very low	201 Å²	201	145.2 Å²	145.2	88%	0.882	79%	0.787	S	S	*	*			trans	58.8	158.3	165.1	-75.5	-95.8	0	0	0	118.2
822	E	28.1	Very low	25.1	Very low	144 Å²	144	143.1 Å²	143.1	67%	0.673	79%	0.789	S	S	*	*			cis	-146.6	156.9	29.9	-77.6	-163.7	105.2	0	0	116.3
823	K	26.2	Very low	25	Very low	166 Å²	166	140.1 Å²	140.1	72%	0.722	79%	0.785	S	S	*	*			trans	20.2	139.2	139.9	-48.4	163.3	-173.5	154.8	0	119.5
824	S	24.9	Very low	25	Very low	98 Å²	98	143.6 Å²	143.6	69%	0.685	79%	0.79	S	S	*	*				170.5	137.2	69.2	41.5	0	0	0	0	115.2
825	H	26.5	Very low	24.9	Very low	190 Å²	190	143.7 Å²	143.7	88%	0.88	79%	0.787	S	S	*	*			trans	57	155.3	156.1	-60.5	102.3	0	0	0	120
826	S	24.3	Very low	25	Very low	114 Å²	114	145.1 Å²	145.1	80%	0.797	79%	0.789	S	S	*	*			cis	-142.1	169.7	-1.6	44.5	0	0	0	0	111.7
827	V	21.8	Very low	24.8	Very low	125 Å²	125	145.4 Å²	145.4	76%	0.758	78%	0.783	S	S	*	*			trans	-100.8	147.8	-173.5	174.1	0	0	0	0	112	V829	V827-V829 HydrophobicContact CG1-CG2 3.71Å
828	E	21.6	Very low	24.9	Very low	189 Å²	189	146.6 Å²	146.6	88%	0.883	78%	0.781	S	S	*	*			trans	-136.4	136.8	145.4	-154.6	165.4	-119.6	0	0	109.7
829	V	21.7	Very low	24.3	Very low	113 Å²	113	151 Å²	151	69%	0.685	78%	0.783	S	S	*	*			trans	-128.4	127.4	-176.4	164.9	0	0	0	0	109	V827	V827-V829 HydrophobicContact CG1-CG2 3.71Å
830	I	23.7	Very low	24.1	Very low	167 Å²	167	149.7 Å²	149.7	86%	0.856	78%	0.775	S	S	*	*			trans	-133	109.6	161.4	-57.8	-178.3	0	0	0	107.3
831	D	22.3	Very low	24	Very low	128 Å²	128	154.4 Å²	154.4	68%	0.684	78%	0.777	S	S	*	*			trans	-95	140.1	174.4	171.1	28.3	0	0	0	110.1	S833	D831-S833 PolarHBondContact OD1-N 3.24Å
832	C	23.5	Very low	24.2	Very low	118 Å²	118	154.4 Å²	154.4	80%	0.797	78%	0.777	S	S	*	*			trans	-160.8	92.4	138.7	-100.5	0	0	0	0	112.2
833	S	23.4	Very low	24.3	Very low	92 Å²	92	151.6 Å²	151.6	64%	0.643	77%	0.765	S	S	*	*			trans	68.9	126.1	136.4	63	0	0	0	0	122.4	D831	D831-S833 PolarHBondContact OD1-N 3.24Å
834	E	22.8	Very low	24.6	Very low	186 Å²	186	146.3 Å²	146.3	87%	0.869	75%	0.748	S	S	*	*			trans	69.7	80.7	147	-64.8	-168.7	-163.9	0	0	121.3
835	K	25	Very low	24.8	Very low	204 Å²	204	145.9 Å²	145.9	89%	0.887	74%	0.738	S	S	*	*				-156.1	146.8	113.9	-103.6	152.5	-172	175.3	0	111.1	F837	K835-F837 PolarHBondContact O-N 3.3Å
836	K	23.1	Very low	25	Very low	202 Å²	202	140.6 Å²	140.6	88%	0.878	72%	0.721	S	S	*	*			trans	-69	117.7	-172.5	-69.4	-177.3	177	-177.6	0	111.8
837	F	22.7	Very low	25.3	Very low	184 Å²	184	140 Å²	140	81%	0.807	72%	0.716	S	S	*	*			trans	-86.4	123.4	157	-90.7	-95.1	0	0	0	109.7	K835 Y839	K835-F837 PolarHBondContact O-N 3.3Å; F837-Y839 HydrophobicContact CB-CD2 4.44Å; F837-Y839 HydrophobicContact CB-CE2 4.3Å
838	T	24.1	Very low	25.8	Very low	115 Å²	115	138.1 Å²	138.1	71%	0.706	71%	0.709	S	S	*	*			trans	-98.2	98.4	172.9	-60.9	0	0	0	0	109.2	T840	T838-T840 PolarHBondContact O-N 3.22Å; T838-T840 VanDerWaalsContact O-N 3.16Å
839	Y	22.8	Very low	26.1	Very low	212 Å²	212	135 Å²	135	83%	0.831	71%	0.708	S	S	*	*			trans	-73.6	101.2	173.1	-85.5	-89.8	0	0	0	110.6	F837 R841	F837-Y839 HydrophobicContact CB-CD2 4.44Å; F837-Y839 HydrophobicContact CB-CE2 4.3Å; Y839-R841 PolarHBondContact O-N 3.45Å; Y839-R841 VanDerWaalsContact O-N 3.17Å
840	T	26.2	Very low	26.4	Very low	118 Å²	118	139.3 Å²	139.3	72%	0.724	71%	0.713	S	S	*	*			trans	-86	84.3	179.9	-50.3	0	0	0	0	110.3	T838 K842	T838-T840 PolarHBondContact O-N 3.22Å; T838-T840 VanDerWaalsContact O-N 3.16Å; T840-K842 PolarHBondContact O-N 3.25Å
841	R	25	Very low	26.4	Very low	176 Å²	176	139.9 Å²	139.9	66%	0.664	71%	0.713	S	S	*	*			trans	-67.6	113.5	171.3	-147.4	177	-176.1	-178.8	1	107.9	Y839 I843 E890	Y839-R841 PolarHBondContact O-N 3.45Å; Y839-R841 VanDerWaalsContact O-N 3.17Å; R841-I843 PolarHBondContact O-N 3.21Å; R841-E890 IonicContact CZ-OE1 3.69Å; R841-E890 IonicContact NH2-OE1 3.96Å; R841-E890 PolarHBondContact NH2-OE1 3.45Å
842	K	29	Very low	26.9	Very low	202 Å²	202	138.7 Å²	138.7	88%	0.878	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-69.7	117.6	178.8	-70.2	-173.9	177.3	-175.6	0	109.6	T840	T840-K842 PolarHBondContact O-N 3.25Å
843	I	30	Very low	27.2	Very low	84 Å²	84	138.2 Å²	138.2	43%	0.431	72%	0.716	S	S	.	*	P	Polyproline II helix	trans	-102.2	128.2	171.5	-57.4	176.1	0	0	0	107.5	R841	R841-I843 PolarHBondContact O-N 3.21Å
844	P	31.5	Very low	27.3	Very low	55 Å²	55	136.8 Å²	136.8	36%	0.357	72%	0.716	S	S	.	*	P	Polyproline II helix	trans	-69.4	139.3	178.4	28.3	-33.9	0	0	0	111.7
845	L	29.8	Very low	27.7	Very low	90 Å²	90	136.7 Å²	136.7	47%	0.471	72%	0.715	S	S	.	*			trans	-114.8	108.9	178.2	-72.4	172.4	0	0	0	109.9	S847 L894 F915	L845-S847 PolarHBondContact O-N 3.5Å; L845-L894 HydrophobicContact CD2-CB 4.48Å; L845-F915 WeakPolarHBondContact O-CE1 3.38Å; L845-F915 WeakPolarHBondContact O-CZ 3.37Å
846	C	30.8	Very low	27.8	Very low	79 Å²	79	131.1 Å²	131.1	53%	0.534	70%	0.702	S	S	.	*			trans	-72.9	111.6	-179.1	-62.1	0	0	0	0	111.8
847	S	30.8	Very low	27.9	Very low	100 Å²	100	130.2 Å²	130.2	70%	0.699	71%	0.706	S	S	*	*			trans	-76	121.1	174.1	57.9	0	0	0	0	112.3	L845 F915	L845-S847 PolarHBondContact O-N 3.5Å; S847-F915 WeakPolarHBondContact OG-CE1 3.48Å
848	S	31.8	Very low	28.2	Very low	87 Å²	87	125.4 Å²	125.4	61%	0.608	71%	0.708	S	S	*	*			trans	-118	127.4	165.3	64.5	0	0	0	0	110.2
849	S	27.4	Very low	28.3	Very low	122 Å²	122	131.8 Å²	131.8	85%	0.853	72%	0.719	S	S	*	*			trans	-60.7	134.7	177.6	49.3	0	0	0	0	112.2
850	Y	28.2	Very low	28.9	Very low	204 Å²	204	127 Å²	127	80%	0.8	71%	0.714	S	S	*	*			trans	-113	101.5	175	-174.1	-88.3	0	0	0	109.7	P852	Y850-P852 HydrophobicContact CE1-CB 4.48Å; Y850-P852 WeakPolarHBondContact O-CD 3.18Å
851	E	25.3	Very low	29	Very low	180 Å²	180	129.4 Å²	129.4	84%	0.841	72%	0.721	S	S	*	*			trans	-90	120.8	169.7	-72.3	-161.6	141.5	0	0	110.7	A853	E851-A853 PolarHBondContact O-N 3.16Å
852	P	31.2	Very low	29	Very low	102 Å²	102	126 Å²	126	66%	0.662	72%	0.723	S	S	*	*			trans	-78.7	114.1	165.3	30.8	-30.4	0	0	0	109.7	Y850 G854	Y850-P852 HydrophobicContact CE1-CB 4.48Å; Y850-P852 WeakPolarHBondContact O-CD 3.18Å; P852-G854 PolarHBondContact O-N 3.17Å
853	A	30	Very low	28.9	Very low	108 Å²	108	124.1 Å²	124.1	89%	0.893	72%	0.722	S	S	*	*			trans	-58.1	122.3	175.6	0	0	0	0	0	110.8	E851	E851-A853 PolarHBondContact O-N 3.16Å
854	G	25.3	Very low	28.6	Very low	62 Å²	62	124.7 Å²	124.7	64%	0.639	73%	0.734	S	S	*	*			trans	-84.3	-176.3	-166.1	0	0	0	0	0	115.3	P852	P852-G854 PolarHBondContact O-N 3.17Å
855	H	30.8	Very low	28.4	Very low	184 Å²	184	131.2 Å²	131.2	85%	0.852	76%	0.762	S	S	*	*			trans	-162.3	110.1	149.1	-107.8	-69.6	0	0	0	113.1
856	S	27.1	Very low	28.2	Very low	88 Å²	88	133.6 Å²	133.6	62%	0.615	78%	0.78	S	S	*	*			trans	34.1	123.8	141.1	56.2	0	0	0	0	122.8
857	L	26.8	Very low	27.9	Very low	182 Å²	182	133 Å²	133	95%	0.953	79%	0.788	S	S	*	*			trans	72.4	109.7	137.5	-62.7	167.1	0	0	0	120.6
858	G	28.4	Very low	27.8	Very low	83 Å²	83	135 Å²	135	86%	0.856	80%	0.795	S	S	*	*			trans	-173.9	129.6	159.2	0	0	0	0	0	111.8
859	R	26.4	Very low	27.5	Very low	250 Å²	250	140.5 Å²	140.5	94%	0.943	81%	0.808	S	S	*	*			trans	-96.2	160	179.2	-108.3	-165.3	171.2	-173.1	-2	112.1
860	P	34.7	Very low	27.6	Very low	110 Å²	110	143.3 Å²	143.3	71%	0.714	81%	0.808	S	S	*	*			trans	-91.1	167.7	-162.2	37.5	-38.7	0	0	0	114.5
861	I	29	Very low	27.6	Very low	169 Å²	169	138.6 Å²	138.6	87%	0.867	80%	0.802	S	S	*	*			trans	-150.6	148.7	153.9	-97	143	0	0	0	108.1
862	C	23.7	Very low	27.6	Very low	105 Å²	105	137.4 Å²	137.4	71%	0.709	80%	0.801	S	S	*	*			trans	-78.7	155.2	178.4	-56.8	0	0	0	0	111.8
863	N	27.1	Very low	27.5	Very low	162 Å²	162	138 Å²	138	87%	0.866	80%	0.803	S	S	*	*				-176.2	149.2	116.4	-92.9	-30	0	0	0	115
864	S	25.4	Very low	27.3	Very low	96 Å²	96	141.2 Å²	141.2	67%	0.671	81%	0.805	S	S	*	*			trans	-43.1	138.2	173.2	145.8	0	0	0	0	116
865	M	26.6	Very low	27.3	Very low	192 Å²	192	145.2 Å²	145.2	95%	0.946	81%	0.807	S	S	*	*			trans	-122	140.8	140.5	-78.5	-164.9	-71.1	0	0	110.1
866	V	25.4	Very low	27.2	Very low	140 Å²	140	144.2 Å²	144.2	85%	0.848	80%	0.8	S	S	*	*			trans	-124	136.4	-178.1	171.5	0	0	0	0	108.9
867	G	25.6	Very low	27.1	Very low	68 Å²	68	149.6 Å²	149.6	70%	0.701	81%	0.813	S	S	*	*			trans	124.4	145.6	-179.9	0	0	0	0	0	111.3
868	V	28	Very low	27.1	Very low	140 Å²	140	149.4 Å²	149.4	85%	0.848	80%	0.801	S	S	*	*			cis	-133.6	154.3	0.4	174.3	0	0	0	0	108.9
869	K	25	Very low	27.1	Very low	204 Å²	204	150.4 Å²	150.4	89%	0.887	80%	0.795	S	S	*	*			trans	-97.6	97.4	-176.2	-174.1	-178.9	-176.4	179.1	0	110.9
870	E	29	Very low	27.1	Very low	181 Å²	181	143.5 Å²	143.5	85%	0.846	78%	0.782	S	S	*	*			trans	-101.5	145.4	168.4	-69.6	-162.3	138.1	0	0	112
871	P	28.5	Very low	27	Very low	104 Å²	104	144 Å²	144	68%	0.675	79%	0.786	S	S	*	*			trans	-97.8	155.7	179.1	37.7	-34	0	0	0	113.5
872	N	25.9	Very low	27.2	Very low	156 Å²	156	141.7 Å²	141.7	83%	0.834	77%	0.774	S	S	*	*			trans	61	80	155.7	-55.3	-28.3	0	0	0	118.9
873	V	28.9	Very low	27.6	Very low	115 Å²	115	142.2 Å²	142.2	70%	0.697	78%	0.778	S	S	*	*			trans	-136.2	116.9	142.7	-177.1	0	0	0	0	110.6	Q875	V873-Q875 HydrophobicContact CG1-CB 3.99Å; V873-Q875 HydrophobicContact CG1-CG 3.67Å; V873-Q875 PolarHBondContact O-N 3.32Å
874	N	25.8	Very low	28.2	Very low	175 Å²	175	137.5 Å²	137.5	94%	0.936	76%	0.755	S	S	*	*			trans	-82.3	91.9	164.1	-84.7	-48.5	0	0	0	109.3
875	Q	25.6	Very low	28.7	Very low	146 Å²	146	136.2 Å²	136.2	68%	0.682	75%	0.745	S	S	*	*			trans	-125.2	94.5	168	-86.5	-178.6	-5.7	0	0	110.6	V873 F877	V873-Q875 HydrophobicContact CG1-CB 3.99Å; V873-Q875 HydrophobicContact CG1-CG 3.67Å; V873-Q875 PolarHBondContact O-N 3.32Å; Q875-F877 PolarHBondContact O-N 2.66Å
876	K	28	Very low	29.4	Very low	163 Å²	163	133 Å²	133	71%	0.709	74%	0.736	S	S	*	*			trans	-65.8	116.4	157.4	-73.6	-174.1	174.9	-170.8	0	107.6	Y878	K876-Y878 HydrophobicContact CB-CD2 3.81Å; K876-Y878 HydrophobicContact CB-CE2 3.63Å; K876-Y878 HydrophobicContact CD-CE2 3.66Å; K876-Y878 WeakPolarHBondContact CD-OH 3.34Å; K876-Y878 HydrophobicContact CG-CE2 4.29Å; K876-Y878 PolarHBondContact NZ-OH 2.73Å; K876-Y878 PolarHBondContact O-N 3.5Å
877	F	24.8	Very low	30.2	Very low	200 Å²	200	133.8 Å²	133.8	88%	0.877	74%	0.735	S	S	*	*			trans	-68.7	86.1	164	-81.1	-92.2	0	0	0	108.9	Q875 S879	Q875-F877 PolarHBondContact O-N 2.66Å; F877-S879 PolarHBondContact O-N 3.11Å
878	Y	26.6	Very low	31	Very low	179 Å²	179	134.1 Å²	134.1	70%	0.702	72%	0.718	S	S	*	*			trans	-73.7	113.8	163.2	-73.7	-79.7	0	0	0	108.1	K876	K876-Y878 HydrophobicContact CB-CD2 3.81Å; K876-Y878 HydrophobicContact CB-CE2 3.63Å; K876-Y878 HydrophobicContact CD-CE2 3.66Å; K876-Y878 WeakPolarHBondContact CD-OH 3.34Å; K876-Y878 HydrophobicContact CG-CE2 4.29Å; K876-Y878 PolarHBondContact NZ-OH 2.73Å; K876-Y878 PolarHBondContact O-N 3.5Å
879	S	28.2	Very low	31.7	Very low	104 Å²	104	131.6 Å²	131.6	73%	0.727	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-56.9	139.7	159.8	46.6	0	0	0	0	109.3	F877	F877-S879 PolarHBondContact O-N 3.11Å
880	P	27.2	Very low	32.5	Very low	104 Å²	104	129.3 Å²	129.3	68%	0.675	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-63	146.3	-179.8	27.2	-34.6	0	0	0	110.6	I882	P880-I882 PolarHBondContact O-N 3.45Å
881	P	32	Very low	33.2	Very low	122 Å²	122	126.8 Å²	126.8	79%	0.792	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-63.5	127.3	174.6	27.3	-33.7	0	0	0	109.8	S883	P881-S883 PolarHBondContact O-N 2.84Å
882	I	34.4	Very low	33.8	Very low	120 Å²	120	123 Å²	123	62%	0.615	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-75	116.1	177.4	-67.8	144.7	0	0	0	108.8	P880 V884 L902	P880-I882 PolarHBondContact O-N 3.45Å; I882-V884 HydrophobicContact CG2-CG2 4.34Å; I882-V884 PolarHBondContact O-N 3.06Å; I882-L902 HydrophobicContact CD1-CD1 3.74Å; I882-L902 HydrophobicContact CG1-CD1 4.28Å; I882-L902 HydrophobicContact CG2-CD1 3.87Å
883	S	32.3	Very low	34.6	Very low	115 Å²	115	116.2 Å²	116.2	80%	0.804	63%	0.629	S	S	*	*			trans	-81.4	107.7	174.1	-61.4	0	0	0	0	110.4	P881	P881-S883 PolarHBondContact O-N 2.84Å
884	V	38	Very low	35.3	Very low	63 Å²	63	111.8 Å²	111.8	38%	0.382	60%	0.602	S	S	.	*			trans	-87.8	129	169.7	-174.8	0	0	0	0	108.7	I882 F904	I882-V884 HydrophobicContact CG2-CG2 4.34Å; I882-V884 PolarHBondContact O-N 3.06Å; V884-F904 HydrophobicContact CG1-CE1 4.44Å
885	P	36	Very low	36.1	Very low	70 Å²	70	109.9 Å²	109.9	46%	0.455	58%	0.581	S	S	.	*			trans	-67.4	148	175	29.3	-34.2	0	0	0	111.1	F904	P885-F904 HydrophobicContact CG-CZ 4.4Å
886	V	41.4	Very low	36.8	Very low	125 Å²	125	108.9 Å²	108.9	76%	0.758	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-13.9	-168.7	-178.9	0	0	0	0	113
887	D	43.3	Very low	37.7	Very low	156 Å²	156	104.7 Å²	104.7	83%	0.834	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	5.8	-166.8	-53.3	-63	0	0	0	115.3
888	E	41.3	Very low	38.4	Very low	74 Å²	74	97.2 Å²	97.2	35%	0.346	54%	0.543	S	S	.	.	S	Bend	trans	-84.8	143.8	177.7	-81.5	-76.2	138.6	0	0	112.4	T892	E888-T892 WeakPolarHBondContact OE2-CB 3.49Å; E888-T892 WeakPolarHBondContact OE2-CG2 3.48Å; E888-T892 PolarHBondContact OE2-OG1 2.86Å
889	P	42.8	Very low	38.8	Very low	87 Å²	87	95.5 Å²	95.5	57%	0.565	55%	0.554	S	S	*	*			trans	-71.2	158.1	-177.9	30.1	-36.1	0	0	0	113.2	N891 T892	P889-N891 PolarHBondContact O-N 2.86Å; P889-T892 PolarHBondContact O-N 2.91Å; P889-T892 VanDerWaalsContact O-N 3.11Å; P889-T892 PolarHBondContact O-OG1 3.26Å
890	E	42.4	Very low	39.3	Very low	157 Å²	157	94.3 Å²	94.3	73%	0.734	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	1.2	-169.5	-55.9	-170	124.9	0	0	115.9	R841	R841-E890 IonicContact CZ-OE1 3.69Å; R841-E890 IonicContact NH2-OE1 3.96Å; R841-E890 PolarHBondContact NH2-OE1 3.45Å
891	N	43	Very low	39.7	Very low	128 Å²	128	94.7 Å²	94.7	68%	0.684	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	-0.9	178.5	-68.3	-28	0	0	0	114.1	P889 C893	P889-N891 PolarHBondContact O-N 2.86Å; N891-C893 PolarHBondContact O-N 3.31Å
892	T	43	Very low	39.9	Very low	25 Å²	25	91.5 Å²	91.5	15%	0.153	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-71.8	116.2	-177.1	-61	0	0	0	0	111.4	E888 P889 F904	E888-T892 WeakPolarHBondContact OE2-CB 3.49Å; E888-T892 WeakPolarHBondContact OE2-CG2 3.48Å; E888-T892 PolarHBondContact OE2-OG1 2.86Å; P889-T892 PolarHBondContact O-N 2.91Å; P889-T892 VanDerWaalsContact O-N 3.11Å; P889-T892 PolarHBondContact O-OG1 3.26Å; T892-F904 HydrophobicContact CG2-CB 4.42Å; T892-F904 HydrophobicContact CG2-CD1 3.88Å
893	C	41.9	Very low	40.6	Very low	12 Å²	12	87.5 Å²	87.5	8%	0.081	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	140.7	-179.5	-69.5	0	0	0	0	112.1	N891 M905	N891-C893 PolarHBondContact O-N 3.31Å; C893-M905 HydrophobicContact CB-CB 4.46Å; C893-M905 PolarHBondContact O-N 2.65Å
894	L	43.2	Very low	41.3	Very low	23 Å²	23	86.7 Å²	86.7	12%	0.12	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132	173.8	-76.1	172	0	0	0	110.8	L845 L902 F904	L845-L894 HydrophobicContact CD2-CB 4.48Å; L894-L902 HydrophobicContact CB-CD2 4.41Å; L894-F904 HydrophobicContact CD2-CD1 3.72Å; L894-F904 HydrophobicContact CD2-CD2 4.32Å; L894-F904 HydrophobicContact CD2-CE1 3.69Å; L894-F904 HydrophobicContact CD2-CE2 4.28Å; L894-F904 HydrophobicContact CD2-CG 4.05Å; L894-F904 HydrophobicContact CD2-CZ 3.97Å
895	R	43.6	Very low	41.6	Very low	135 Å²	135	86.6 Å²	86.6	51%	0.509	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.4	178	-175	174	-175.6	170.5	4	110.9	T897 L902 A903 M905	R895-T897 PolarHBondContact O-N 3.31Å; R895-L902 WeakPolarHBondContact O-CA 3.49Å; R895-A903 PolarHBondContact N-O 2.93Å; R895-A903 PolarHBondContact O-N 3.3Å; R895-M905 HydrophobicContact CB-CG 4.2Å; R895-M905 HydrophobicContact CB-SD 4.27Å
896	L	39.3	Very low	42	Very low	124 Å²	124	89.5 Å²	89.5	65%	0.649	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	123.6	167.1	-77.7	161.8	0	0	0	109.6	L902	L896-L902 HydrophobicContact CD2-CD2 3.73Å; L896-L902 HydrophobicContact CD2-CG 4.09Å; L896-L902 HydrophobicContact CG-CD2 3.81Å
897	T	46.7	Very low	42.1	Very low	76 Å²	76	91.1 Å²	91.1	47%	0.466	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-34.3	177	47.4	0	0	0	0	112.1	R895 E901 A903	R895-T897 PolarHBondContact O-N 3.31Å; T897-E901 WeakPolarHBondContact CB-OE2 3.48Å; T897-E901 PolarHBondContact N-O 2.9Å; T897-E901 WeakPolarHBondContact OG1-CG 3.38Å; T897-E901 PolarHBondContact OG1-O 3.42Å; T897-E901 PolarHBondContact OG1-OE2 2.96Å; T897-A903 HydrophobicContact CG2-CB 3.72Å
898	A	39.4	Very low	41.8	Very low	42 Å²	42	89.2 Å²	89.2	35%	0.347	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	169.1	176.7	0	0	0	0	0	110.4	G900 E901	A898-G900 PolarHBondContact O-N 3.38Å; A898-E901 HydrophobicContact CB-CB 3.93Å; A898-E901 PolarHBondContact O-N 3.32Å
899	P	36	Very low	41.6	Very low	143 Å²	143	91.5 Å²	91.5	93%	0.929	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	103.4	174.7	-24	35.5	0	0	0	111.8
900	G	38.8	Very low	41.2	Very low	80 Å²	80	90.6 Å²	90.6	83%	0.825	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.5	7.7	-176.3	0	0	0	0	0	115.6	A898	A898-G900 PolarHBondContact O-N 3.38Å
901	E	35	Very low	40.8	Very low	112 Å²	112	92 Å²	92	52%	0.523	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.4	-179.4	-162.3	-174.6	-116.7	0	0	111.5	T897 A898	T897-E901 WeakPolarHBondContact CB-OE2 3.48Å; T897-E901 PolarHBondContact N-O 2.9Å; T897-E901 WeakPolarHBondContact OG1-CG 3.38Å; T897-E901 PolarHBondContact OG1-O 3.42Å; T897-E901 PolarHBondContact OG1-OE2 2.96Å; A898-E901 HydrophobicContact CB-CB 3.93Å; A898-E901 PolarHBondContact O-N 3.32Å
902	L	37	Very low	40.2	Very low	55 Å²	55	93.8 Å²	93.8	29%	0.288	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.5	-176.7	-80	166.8	0	0	0	110.7	I882 L894 R895 L896	I882-L902 HydrophobicContact CD1-CD1 3.74Å; I882-L902 HydrophobicContact CG1-CD1 4.28Å; I882-L902 HydrophobicContact CG2-CD1 3.87Å; L894-L902 HydrophobicContact CB-CD2 4.41Å; R895-L902 WeakPolarHBondContact O-CA 3.49Å; L896-L902 HydrophobicContact CD2-CD2 3.73Å; L896-L902 HydrophobicContact CD2-CG 4.09Å; L896-L902 HydrophobicContact CG-CD2 3.81Å
903	A	47.4	Very low	39.5	Very low	36 Å²	36	97.1 Å²	97.1	30%	0.298	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.5	172	0	0	0	0	0	110.9	R895 T897	R895-A903 PolarHBondContact N-O 2.93Å; R895-A903 PolarHBondContact O-N 3.3Å; T897-A903 HydrophobicContact CG2-CB 3.72Å
904	F	47.9	Very low	38.7	Very low	98 Å²	98	106.5 Å²	106.5	43%	0.43	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.5	131.1	170.3	-68.1	-97.7	0	0	0	109.7	V884 P885 T892 L894	V884-F904 HydrophobicContact CG1-CE1 4.44Å; P885-F904 HydrophobicContact CG-CZ 4.4Å; T892-F904 HydrophobicContact CG2-CB 4.42Å; T892-F904 HydrophobicContact CG2-CD1 3.88Å; L894-F904 HydrophobicContact CD2-CD1 3.72Å; L894-F904 HydrophobicContact CD2-CD2 4.32Å; L894-F904 HydrophobicContact CD2-CE1 3.69Å; L894-F904 HydrophobicContact CD2-CE2 4.28Å; L894-F904 HydrophobicContact CD2-CG 4.05Å; L894-F904 HydrophobicContact CD2-CZ 3.97Å
905	M	44.4	Very low	37.9	Very low	61 Å²	61	109.7 Å²	109.7	30%	0.3	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.5	103.3	175.1	-67.5	-149.4	67.1	0	0	110.4	C893 R895	C893-M905 HydrophobicContact CB-CB 4.46Å; C893-M905 PolarHBondContact O-N 2.65Å; R895-M905 HydrophobicContact CB-CG 4.2Å; R895-M905 HydrophobicContact CB-SD 4.27Å
906	Q	44.3	Very low	37.1	Very low	130 Å²	130	112.6 Å²	112.6	61%	0.607	60%	0.602	S	S	*	*			trans	-74.8	146.3	170.5	-68.4	-179.1	-20	0	0	110.7
907	N	43.7	Very low	36.5	Very low	159 Å²	159	113 Å²	113	85%	0.85	60%	0.604	S	S	*	*	S	Bend	trans	65.9	39.5	165.6	-51.6	-31.8	0	0	0	117.8
908	Q	37.3	Very low	35.8	Very low	117 Å²	117	116.3 Å²	116.3	55%	0.547	65%	0.654	S	S	.	*			trans	-104.2	130.2	160.1	-72.7	-162.8	-51.1	0	0	111.4
909	P	36	Very low	35.6	Very low	122 Å²	122	120.1 Å²	120.1	79%	0.792	67%	0.669	S	S	*	*			trans	-78.6	122.5	175.6	31.2	-32.9	0	0	0	111.3	Q911	P909-Q911 PolarHBondContact O-N 3.38Å
910	V	34.8	Very low	35.6	Very low	68 Å²	68	118.8 Å²	118.8	41%	0.412	66%	0.655	S	S	.	*			trans	-79.7	106.1	177.8	-178.8	0	0	0	0	110.1	Q912 P913	V910-Q912 PolarHBondContact O-N 3.04Å; V910-P913 HydrophobicContact CG1-CB 4.41Å
911	Q	33.2	Very low	35.4	Very low	186 Å²	186	121 Å²	121	87%	0.869	65%	0.646	S	S	*	*			trans	-84.4	107.1	164.1	-70.9	-171.4	-10	0	0	109.2	P909	P909-Q911 PolarHBondContact O-N 3.38Å
912	Q	30.3	Very low	35.4	Very low	165 Å²	165	121.5 Å²	121.5	77%	0.771	65%	0.653	S	S	*	*			trans	57	105.1	174.4	-66.1	-176.2	-21.3	0	0	116.9	V910 Y914	V910-Q912 PolarHBondContact O-N 3.04Å; Q912-Y914 PolarHBondContact O-N 3.36Å; Q912-Y914 VanDerWaalsContact O-N 3.17Å
913	P	29.6	Very low	35.3	Very low	95 Å²	95	125.7 Å²	125.7	62%	0.617	68%	0.676	S	S	*	*			trans	-83.4	87.8	173.7	34	-33.3	0	0	0	111.9	V910	V910-P913 HydrophobicContact CG1-CB 4.41Å
914	Y	25.2	Very low	34.5	Very low	209 Å²	209	131.7 Å²	131.7	82%	0.82	70%	0.701	S	S	*	*			trans	-101.7	107.3	164.1	-97.2	-85.5	0	0	0	110.4	Q912	Q912-Y914 PolarHBondContact O-N 3.36Å; Q912-Y914 VanDerWaalsContact O-N 3.17Å
915	F	27	Very low	33.5	Very low	90 Å²	90	134.1 Å²	134.1	40%	0.395	72%	0.721	S	S	.	*			trans	-144.2	95.8	172.6	-82	-74.4	0	0	0	110.9	L845 S847 I917	L845-F915 WeakPolarHBondContact O-CE1 3.38Å; L845-F915 WeakPolarHBondContact O-CZ 3.37Å; S847-F915 WeakPolarHBondContact OG-CE1 3.48Å; F915-I917 HydrophobicContact CB-CD1 4.45Å; F915-I917 HydrophobicContact CB-CG1 4.36Å; F915-I917 HydrophobicContact CD1-CD1 4.34Å; F915-I917 HydrophobicContact CD1-CG1 4.31Å
916	E	25.6	Very low	32.7	Very low	196 Å²	196	139.7 Å²	139.7	92%	0.916	75%	0.753	S	S	*	*			trans	-87.3	145.2	145.6	-71.6	-167.7	116.2	0	0	108.5
917	I	27.6	Very low	31.7	Very low	132 Å²	132	140.5 Å²	140.5	68%	0.677	77%	0.765	S	S	*	*			trans	-142	119.9	-174.2	-57.5	177.9	0	0	0	109.9	F915	F915-I917 HydrophobicContact CB-CD1 4.45Å; F915-I917 HydrophobicContact CB-CG1 4.36Å; F915-I917 HydrophobicContact CD1-CD1 4.34Å; F915-I917 HydrophobicContact CD1-CG1 4.31Å
918	G	30.6	Very low	30.7	Very low	147 Å²	147	138.8 Å²	138.8	100%	1.515	76%	0.757	S	S	*	*			trans	82	0	154.9	0	0	0	0	0	117.1

Retrieved 918 of 918 residues in 831.8 ms (Link to these results)

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