G4VJY0_SCHMA Loading...

PDZ domain-containing protein

AlphaFold DB (A0A5K4ET56), UniProt , Accession G4VJY0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 804 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	63.2	Low	84.6	Confident	114 Å²	114	51.1 Å²	51.1	56%	0.562	26%	0.262	S	S	*	.				0	165.7	0	-72.4	-152	162.3	0	0	110.2	N3 R66	M1-N3 PolarHBondContact O-N 3.05Å; M1-R66 HydrophobicContact CE-CB 3.68Å; M1-R66 HydrophobicContact CE-CG 4.2Å; M1-R66 PolarHBondContact SD-NH2 2.66Å
2	L	71	Confident	85.2	Confident	29 Å²	29	46.8 Å²	46.8	15%	0.152	24%	0.24	C	C	.	.			trans	-47.2	119.8	-173.6	-67.7	168.2	0	0	0	110.9	T4 T7 A173 T208	L2-T4 PolarHBondContact O-N 3.04Å; L2-T4 VanDerWaalsContact O-N 3.07Å; L2-T7 HydrophobicContact CD1-CG2 3.58Å; L2-A173 HydrophobicContact CD1-CB 3.88Å; L2-T208 HydrophobicContact CB-CG2 4.45Å
3	N	73.4	Confident	85.3	Confident	165 Å²	165	47.3 Å²	47.3	88%	0.882	24%	0.241	S	C	*	.			trans	-88.1	59.3	-177.9	-169	28.7	0	0	0	110.3	M1	M1-N3 PolarHBondContact O-N 3.05Å
4	T	84	Confident	85.5	Confident	26 Å²	26	43.9 Å²	43.9	16%	0.16	22%	0.224	C	C	.	.	S	Bend	trans	-147	151.3	-170	61.2	0	0	0	0	109.8	L2 W6 R175 T208	L2-T4 PolarHBondContact O-N 3.04Å; L2-T4 VanDerWaalsContact O-N 3.07Å; T4-W6 PolarHBondContact OG1-O 3.41Å; T4-R175 HydrophobicContact CG2-CB 3.8Å; T4-R175 VanDerWaalsContact CG2-CD 3.47Å; T4-R175 HydrophobicContact CG2-CG 3.48Å; T4-R175 VanDerWaalsContact CG2-CG 3.48Å; T4-T208 WeakPolarHBondContact O-CB 3.46Å; T4-T208 WeakPolarHBondContact O-CG2 3.41Å; T4-T208 PolarHBondContact O-OG1 2.86Å
5	D	87.8	Confident	85.3	Confident	132 Å²	132	48.1 Å²	48.1	71%	0.706	25%	0.245	S	C	*	.	S	Bend	trans	-80.8	-23.6	175.6	-58.8	-39	0	0	0	112.6	P207 T208	D5-P207 WeakPolarHBondContact O-CA 3.33Å; D5-T208 PolarHBondContact O-N 2.81Å; D5-T208 PolarHBondContact O-OG1 2.85Å
6	W	91.3	Very high	85.1	Confident	37 Å²	37	46.1 Å²	46.1	14%	0.14	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	135.1	-176.6	-65.8	92.7	0	0	0	111.8	T4 A176 L183 I205 P207 T208	T4-W6 PolarHBondContact OG1-O 3.41Å; W6-A176 HydrophobicContact CB-CB 3.84Å; W6-A176 PolarHBondContact O-N 3.47Å; W6-A176 VanDerWaalsContact O-N 3.17Å; W6-L183 HydrophobicContact CB-CD1 3.8Å; W6-L183 HydrophobicContact CD2-CB 3.82Å; W6-L183 HydrophobicContact CD2-CD1 4.33Å; W6-L183 HydrophobicContact CE3-CB 4.05Å; W6-L183 HydrophobicContact CG-CB 4.12Å; W6-L183 HydrophobicContact CG-CD1 3.72Å; W6-I205 HydrophobicContact CE3-CG2 3.99Å; W6-P207 HydrophobicContact CE3-CG 4.38Å; W6-P207 HydrophobicContact CH2-CG 3.95Å; W6-P207 HydrophobicContact CZ3-CB 4.47Å; W6-P207 HydrophobicContact CZ3-CG 3.75Å; W6-T208 VanDerWaalsContact C-OG1 3.28Å; W6-T208 PolarHBondContact N-OG1 3.27Å
7	T	91.8	Very high	84.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.1	-179.1	-64.3	0	0	0	0	110.1	L2 I9 A173 R174 I206 T208 L211	L2-T7 HydrophobicContact CD1-CG2 3.58Å; T7-I9 HydrophobicContact CG2-CG1 4.04Å; T7-A173 HydrophobicContact CG2-CB 3.75Å; T7-R174 WeakPolarHBondContact CA-O 3Å; T7-I206 PolarHBondContact N-O 3.09Å; T7-I206 PolarHBondContact O-N 3.44Å; T7-T208 PolarHBondContact N-OG1 3.45Å; T7-T208 WeakPolarHBondContact OG1-CB 3.09Å; T7-T208 WeakPolarHBondContact OG1-CG2 3.33Å; T7-T208 PolarHBondContact OG1-OG1 2.8Å; T7-L211 HydrophobicContact CG2-CD1 4.11Å; T7-L211 HydrophobicContact CG2-CD2 4.41Å
8	E	92.9	Very high	83.3	Confident	32 Å²	32	49.6 Å²	49.6	15%	0.15	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	123.6	165.7	179.4	-173.4	134.8	0	0	107.6	R52 A173 R174 A176 L203 A204	E8-R52 IonicContact OE1-NH1 2.77Å; E8-A173 WeakPolarHBondContact O-CA 3.47Å; E8-R174 HydrophobicContact CB-CG 3.87Å; E8-R174 HydrophobicContact CG-CG 4.22Å; E8-R174 PolarHBondContact N-O 3.31Å; E8-R174 PolarHBondContact O-N 3.5Å; E8-R174 WeakPolarHBondContact OE1-CD 3.1Å; E8-R174 IonicContact OE1-CZ 3.57Å; E8-R174 IonicContact OE1-NE 3.66Å; E8-R174 IonicContact OE1-NH1 2.83Å; E8-R174 PolarHBondContact OE1-NH1 3.13Å; E8-A176 HydrophobicContact CB-CB 4.29Å; E8-L203 HydrophobicContact CG-CD1 3.69Å; E8-A204 WeakPolarHBondContact CA-O 3.29Å
9	I	92.7	Very high	81.9	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.6	176.2	-59	174.6	0	0	0	108	T7 I171 V172 L203 A204 I206 L211 Y214 L218	T7-I9 HydrophobicContact CG2-CG1 4.04Å; I9-I171 HydrophobicContact CG2-CG2 3.59Å; I9-V172 WeakPolarHBondContact CA-O 3.14Å; I9-L203 CarbonylContact O-C 3.58Å; I9-L203 WeakPolarHBondContact O-CA 3.18Å; I9-A204 PolarHBondContact N-O 2.81Å; I9-A204 PolarHBondContact O-N 3.22Å; I9-I206 HydrophobicContact CD1-CD1 3.44Å; I9-I206 VanDerWaalsContact CD1-CD1 3.44Å; I9-I206 HydrophobicContact CD1-CG1 3.79Å; I9-I206 HydrophobicContact CG1-CD1 4.43Å; I9-I206 HydrophobicContact CG1-CG1 4.35Å; I9-L211 HydrophobicContact CD1-CD1 3.3Å; I9-L211 HydrophobicContact CG1-CD1 3.68Å; I9-Y214 HydrophobicContact CD1-CD1 3.37Å; I9-Y214 HydrophobicContact CD1-CE1 3.92Å; I9-Y214 HydrophobicContact CD1-CG 4.06Å; I9-Y214 HydrophobicContact CG2-CE1 4.38Å; I9-L218 HydrophobicContact CG2-CD1 4.47Å
10	E	92.9	Very high	80.8	Confident	22 Å²	22	50.6 Å²	50.6	10%	0.103	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	133.7	175.9	-164.9	168.8	-171.8	0	0	110.9	I12 R50 V172 R174 M202 L203	E10-I12 HydrophobicContact CG-CG1 4.25Å; E10-R50 WeakPolarHBondContact OE1-CD 3.48Å; E10-V172 HydrophobicContact CB-CG2 3.96Å; E10-V172 PolarHBondContact N-O 3.31Å; E10-V172 PolarHBondContact O-N 2.91Å; E10-R174 IonicContact OE2-CZ 2.72Å; E10-R174 IonicContact OE2-NH1 2.98Å; E10-R174 PolarHBondContact OE2-NH1 2.9Å; E10-R174 IonicContact OE2-NH2 3.8Å; E10-R174 PolarHBondContact OE2-NH2 3.06Å; E10-M202 CarbonylContact C-O 3.55Å; E10-M202 VanDerWaalsContact CA-O 3.31Å; E10-M202 WeakPolarHBondContact CA-O 3.27Å; E10-L203 HydrophobicContact CB-CD1 3.85Å; E10-L203 HydrophobicContact CG-CD1 3.9Å
11	V	90.3	Very high	80.7	Confident	3 Å²	3	53 Å²	53	2%	0.018	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.4	172.1	-172.8	0	0	0	0	108.6	R50 R169 M170 I171 M202 L218 L225	V11-R50 PolarHBondContact O-NH1 3.03Å; V11-R50 VanDerWaalsContact O-NH1 3.09Å; V11-R169 HydrophobicContact CG1-CG 3.76Å; V11-M170 WeakPolarHBondContact CA-O 3.35Å; V11-I171 HydrophobicContact CG2-CG1 4.38Å; V11-M202 PolarHBondContact N-O 3.37Å; V11-L218 HydrophobicContact CG2-CD2 4.45Å; V11-L225 HydrophobicContact CB-CD1 4.48Å; V11-L225 HydrophobicContact CG1-CD1 3.99Å; V11-L225 HydrophobicContact CG2-CD1 4.35Å; V11-L225 HydrophobicContact CG2-CD2 4.3Å
12	I	90.9	Very high	81.7	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.6	-176	-58.9	176.6	0	0	0	108.8	E10 L14 D48 R50 L51 R169 M170 V172	E10-I12 HydrophobicContact CG-CG1 4.25Å; I12-L14 HydrophobicContact CG2-CD2 3.7Å; I12-L14 HydrophobicContact CG2-CG 4Å; I12-D48 WeakPolarHBondContact CG2-OD1 3.25Å; I12-R50 HydrophobicContact CD1-CB 4.06Å; I12-R50 HydrophobicContact CG1-CB 4.02Å; I12-L51 HydrophobicContact CD1-CB 4.13Å; I12-L51 HydrophobicContact CD1-CD1 3.81Å; I12-R169 CarbonylContact O-C 3.55Å; I12-R169 VanDerWaalsContact O-CA 3.32Å; I12-R169 WeakPolarHBondContact O-CA 3.46Å; I12-M170 PolarHBondContact N-O 2.83Å; I12-M170 PolarHBondContact O-N 2.9Å; I12-V172 HydrophobicContact CD1-CB 4.47Å; I12-V172 HydrophobicContact CD1-CG1 4.08Å; I12-V172 HydrophobicContact CD1-CG2 3.54Å; I12-V172 HydrophobicContact CG1-CG2 4.21Å
13	E	86.8	Confident	82.4	Confident	53 Å²	53	47.7 Å²	47.7	25%	0.248	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	95.9	176.8	-67.2	-169.3	155.9	0	0	109	L167 I168 R169	E13-L167 HydrophobicContact CB-CD1 4.37Å; E13-L167 HydrophobicContact CB-CD2 4.07Å; E13-L167 HydrophobicContact CB-CG 4.24Å; E13-L167 HydrophobicContact CG-CD2 4.15Å; E13-I168 WeakPolarHBondContact CA-O 3.15Å; E13-R169 HydrophobicContact CG-CB 4.31Å; E13-R169 HydrophobicContact CG-CG 4.26Å; E13-R169 IonicContact OE1-CZ 3.72Å; E13-R169 VanDerWaalsContact OE1-CZ 3.27Å; E13-R169 IonicContact OE1-NE 3.38Å; E13-R169 PolarHBondContact OE1-NE 3.37Å; E13-R169 IonicContact OE1-NH2 3.57Å; E13-R169 PolarHBondContact OE1-NH2 3.37Å
14	L	88.2	Confident	83.2	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	126.8	-178.6	-62.9	-178.4	0	0	0	110.5	I12 L22 F24 A45 D48 L167 I168 M170	I12-L14 HydrophobicContact CG2-CD2 3.7Å; I12-L14 HydrophobicContact CG2-CG 4Å; L14-L22 HydrophobicContact CD1-CD1 3.76Å; L14-L22 HydrophobicContact CD1-CG 4.33Å; L14-F24 HydrophobicContact CD1-CD1 4.4Å; L14-F24 HydrophobicContact CD1-CE1 3.91Å; L14-A45 HydrophobicContact CD1-CB 4.27Å; L14-A45 HydrophobicContact CD2-CB 4.35Å; L14-D48 HydrophobicContact CD2-CB 3.57Å; L14-L167 WeakPolarHBondContact O-CA 3.42Å; L14-I168 PolarHBondContact N-O 3.06Å; L14-I168 PolarHBondContact O-N 3.33Å; L14-M170 HydrophobicContact CD1-SD 3.87Å
15	I	83.3	Confident	83.4	Confident	106 Å²	106	40.8 Å²	40.8	54%	0.544	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	115.4	173.9	-56.3	174	0	0	0	107.9	A44	I15-A44 VanDerWaalsContact O-CB 3.28Å; I15-A44 WeakPolarHBondContact O-CB 3.48Å
16	V	81.5	Confident	83.6	Confident	16 Å²	16	36.7 Å²	36.7	10%	0.097	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	113.2	178.7	-174.6	0	0	0	0	107.6	T20 L22 A44 V166 I168	V16-T20 WeakPolarHBondContact CG1-O 3.39Å; V16-L22 HydrophobicContact CG2-CD1 3.86Å; V16-A44 HydrophobicContact CG2-CB 4Å; V16-V166 HydrophobicContact CB-CB 4.44Å; V16-V166 PolarHBondContact N-O 3.47Å; V16-V166 PolarHBondContact O-N 3.04Å; V16-I168 HydrophobicContact CG2-CD1 3.92Å
17	D	74.8	Confident	83.5	Confident	60 Å²	60	37.1 Å²	37.1	32%	0.321	21%	0.212	S	C	.	.			trans	-90.9	172.1	168.7	65.2	19.8	0	0	0	110.4	A19 T20 T165	D17-A19 PolarHBondContact O-N 3.47Å; D17-A19 VanDerWaalsContact O-N 3.11Å; D17-A19 PolarHBondContact OD1-N 2.92Å; D17-T20 PolarHBondContact N-OG1 3Å; D17-T20 VanDerWaalsContact N-OG1 3.16Å; D17-T20 PolarHBondContact O-N 3.38Å; D17-T20 VanDerWaalsContact OD1-CB 3.23Å; D17-T20 WeakPolarHBondContact OD1-CB 3.29Å; D17-T20 VanDerWaalsContact OD1-CG2 3.26Å; D17-T20 WeakPolarHBondContact OD1-CG2 3.46Å; D17-T20 PolarHBondContact OD1-N 3.46Å; D17-T20 PolarHBondContact OD1-OG1 3.46Å; D17-T165 HydrophobicContact CB-CG2 4.21Å
18	N	62.1	Low	83.2	Confident	95 Å²	95	38.9 Å²	38.9	51%	0.508	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.9	178.2	-76.4	-16.7	0	0	0	114.1	N163 P164	N18-N163 PolarHBondContact ND2-OD1 3.32Å; N18-P164 VanDerWaalsContact ND2-CD 3.32Å; N18-P164 WeakPolarHBondContact ND2-CD 3.17Å
19	A	57	Low	82.9	Confident	92 Å²	92	39.2 Å²	39.2	76%	0.76	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-27.4	-176.3	0	0	0	0	0	112.2	D17	D17-A19 PolarHBondContact O-N 3.47Å; D17-A19 VanDerWaalsContact O-N 3.11Å; D17-A19 PolarHBondContact OD1-N 2.92Å
20	T	61.1	Low	82.6	Confident	28 Å²	28	45.5 Å²	45.5	17%	0.172	26%	0.263	C	S	.	.			trans	-101.6	132.5	-172.3	54.5	0	0	0	0	111.3	V16 D17 L47	V16-T20 WeakPolarHBondContact CG1-O 3.39Å; D17-T20 PolarHBondContact N-OG1 3Å; D17-T20 VanDerWaalsContact N-OG1 3.16Å; D17-T20 PolarHBondContact O-N 3.38Å; D17-T20 VanDerWaalsContact OD1-CB 3.23Å; D17-T20 WeakPolarHBondContact OD1-CB 3.29Å; D17-T20 VanDerWaalsContact OD1-CG2 3.26Å; D17-T20 WeakPolarHBondContact OD1-CG2 3.46Å; D17-T20 PolarHBondContact OD1-N 3.46Å; D17-T20 PolarHBondContact OD1-OG1 3.46Å; T20-L47 HydrophobicContact CG2-CD1 4.26Å
21	H	78.3	Confident	82.1	Confident	100 Å²	100	49.2 Å²	49.2	46%	0.463	29%	0.292	S	S	.	.			trans	-76.8	159.2	163.9	55.5	45.4	0	0	0	110	G23 T40 G43 A44	H21-G23 VanDerWaalsContact ND1-CA 3.28Å; H21-G23 WeakPolarHBondContact ND1-CA 3.34Å; H21-G23 PolarHBondContact ND1-N 3Å; H21-G23 PolarHBondContact O-N 3.33Å; H21-T40 VanDerWaalsContact CE1-CG2 3.48Å; H21-T40 WeakPolarHBondContact CE1-CG2 3.41Å; H21-G43 WeakPolarHBondContact CE1-CA 3.5Å; H21-G43 WeakPolarHBondContact ND1-CA 3.39Å; H21-A44 PolarHBondContact O-N 3.47Å
22	L	84.6	Confident	81.8	Confident	29 Å²	29	51.9 Å²	51.9	15%	0.152	31%	0.308	C	S	.	.			trans	-49.6	-32.1	176.8	-167.2	68.6	0	0	0	113.5	L14 V16 F24 A45 L77 I168	L14-L22 HydrophobicContact CD1-CD1 3.76Å; L14-L22 HydrophobicContact CD1-CG 4.33Å; V16-L22 HydrophobicContact CG2-CD1 3.86Å; L22-F24 HydrophobicContact CD1-CE1 4.08Å; L22-F24 HydrophobicContact CD2-CD1 3.96Å; L22-F24 HydrophobicContact CD2-CE1 3.17Å; L22-F24 HydrophobicContact CD2-CE2 4.26Å; L22-F24 HydrophobicContact CD2-CZ 3.33Å; L22-F24 HydrophobicContact CG-CD1 3.77Å; L22-F24 HydrophobicContact CG-CE1 3.29Å; L22-F24 HydrophobicContact CG-CZ 4.02Å; L22-A45 VanDerWaalsContact O-CB 3.3Å; L22-A45 WeakPolarHBondContact O-CB 3.48Å; L22-A45 PolarHBondContact O-N 2.88Å; L22-L77 HydrophobicContact CD2-CD1 3.76Å; L22-L77 HydrophobicContact CD2-CD2 3.99Å; L22-L77 HydrophobicContact CD2-CG 4.39Å; L22-I168 HydrophobicContact CD1-CD1 3.76Å
23	G	84.7	Confident	81.7	Confident	4 Å²	4	52.1 Å²	52.1	4%	0.041	31%	0.311	C	S	.	.			trans	86.6	20.4	165	0	0	0	0	0	115.8	H21 I39 T40	H21-G23 VanDerWaalsContact ND1-CA 3.28Å; H21-G23 WeakPolarHBondContact ND1-CA 3.34Å; H21-G23 PolarHBondContact ND1-N 3Å; H21-G23 PolarHBondContact O-N 3.33Å; G23-I39 CarbonylContact O-C 3.58Å; G23-I39 WeakPolarHBondContact O-CA 3.45Å; G23-T40 PolarHBondContact O-N 3.29Å
24	F	90.3	Very high	81.9	Confident	24 Å²	24	49.6 Å²	49.6	11%	0.105	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	150	171.7	66.9	-94.1	0	0	0	112.6	L14 L22 M26 V36 C38 I39 A45 L51 I57 L77 M170	L14-F24 HydrophobicContact CD1-CD1 4.4Å; L14-F24 HydrophobicContact CD1-CE1 3.91Å; L22-F24 HydrophobicContact CD1-CE1 4.08Å; L22-F24 HydrophobicContact CD2-CD1 3.96Å; L22-F24 HydrophobicContact CD2-CE1 3.17Å; L22-F24 HydrophobicContact CD2-CE2 4.26Å; L22-F24 HydrophobicContact CD2-CZ 3.33Å; L22-F24 HydrophobicContact CG-CD1 3.77Å; L22-F24 HydrophobicContact CG-CE1 3.29Å; L22-F24 HydrophobicContact CG-CZ 4.02Å; F24-M26 HydrophobicContact CE2-CE 3.99Å; F24-V36 HydrophobicContact CB-CG1 4.28Å; F24-V36 HydrophobicContact CD2-CG2 4.49Å; F24-C38 CarbonylContact C-O 3.48Å; F24-C38 WeakPolarHBondContact CA-O 3.45Å; F24-C38 WeakPolarHBondContact CB-O 3.32Å; F24-I39 HydrophobicContact CB-CG1 4.46Å; F24-A45 HydrophobicContact CB-CB 4.29Å; F24-A45 HydrophobicContact CD1-CB 3.81Å; F24-L51 HydrophobicContact CB-CD2 3.84Å; F24-L51 HydrophobicContact CD1-CD2 3.43Å; F24-L51 VanDerWaalsContact CD1-CD2 3.43Å; F24-L51 HydrophobicContact CD2-CD2 4.31Å; F24-L51 HydrophobicContact CE1-CD2 3.94Å; F24-L51 HydrophobicContact CG-CD2 3.62Å; F24-I57 HydrophobicContact CD2-CD1 4.48Å; F24-I57 HydrophobicContact CE2-CD1 3.6Å; F24-I57 HydrophobicContact CZ-CD1 4.08Å; F24-L77 HydrophobicContact CZ-CD1 4.11Å; F24-M170 HydrophobicContact CE1-CE 4.19Å; F24-M170 HydrophobicContact CE1-SD 4.06Å; F24-M170 HydrophobicContact CE2-CE 4.48Å; F24-M170 HydrophobicContact CZ-CE 3.68Å; F24-M170 HydrophobicContact CZ-SD 4.02Å
25	G	87.8	Confident	82.1	Confident	22 Å²	22	51.6 Å²	51.6	23%	0.227	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	145.8	170.3	0	0	0	0	0	110.5	R37 C38	G25-R37 PolarHBondContact O-N 2.78Å; G25-C38 VanDerWaalsContact CA-SG 3.56Å; G25-C38 PolarHBondContact N-O 3.45Å; G25-C38 PolarHBondContact O-N 3.06Å
26	M	92.4	Very high	82.6	Confident	46 Å²	46	46.6 Å²	46.6	23%	0.227	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	151.8	-179.9	65.6	177.6	66.5	0	0	111.4	F24 V34 I35 P70 V73 A74 L77	F24-M26 HydrophobicContact CE2-CE 3.99Å; M26-V34 HydrophobicContact CB-CG1 3.61Å; M26-V34 HydrophobicContact CG-CG1 4.11Å; M26-V34 HydrophobicContact SD-CG1 3.75Å; M26-I35 CarbonylContact C-O 3.57Å; M26-I35 WeakPolarHBondContact CA-O 3.41Å; M26-P70 HydrophobicContact CG-CB 3.9Å; M26-P70 HydrophobicContact SD-CB 3.9Å; M26-V73 HydrophobicContact CE-CB 4.4Å; M26-V73 HydrophobicContact CE-CG1 3.87Å; M26-V73 HydrophobicContact SD-CB 4.04Å; M26-V73 HydrophobicContact SD-CG1 4.1Å; M26-A74 HydrophobicContact SD-CB 4.39Å; M26-L77 HydrophobicContact CE-CD1 3.63Å
27	C	88.8	Confident	83	Confident	45 Å²	45	54.5 Å²	54.5	30%	0.304	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	174.9	172.9	68.3	0	0	0	0	109.8	V34 I35 R37	C27-V34 WeakPolarHBondContact O-CA 3.07Å; C27-I35 PolarHBondContact N-O 2.64Å; C27-I35 PolarHBondContact O-N 3Å; C27-R37 HydrophobicContact CB-CB 4.03Å; C27-R37 HydrophobicContact CB-CG 4.34Å
28	G	86.6	Confident	83.7	Confident	37 Å²	37	53.9 Å²	53.9	38%	0.381	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	118.8	-162.7	177.8	0	0	0	0	0	112.4	P70	G28-P70 WeakPolarHBondContact O-CD 3.36Å
29	S	85.6	Confident	85	Confident	39 Å²	39	50.6 Å²	50.6	27%	0.273	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	166.6	-170.3	66.1	0	0	0	0	109.3	S31 T32 G33	S29-S31 PolarHBondContact O-N 2.93Å; S29-S31 PolarHBondContact OG-OG 2.81Å; S29-T32 PolarHBondContact N-OG1 3.25Å; S29-T32 PolarHBondContact O-N 2.82Å; S29-T32 PolarHBondContact O-OG1 3.36Å; S29-T32 WeakPolarHBondContact OG-CG2 3.4Å; S29-T32 PolarHBondContact OG-N 2.87Å; S29-T32 VanDerWaalsContact OG-N 3.15Å; S29-T32 PolarHBondContact OG-OG1 3.08Å; S29-G33 PolarHBondContact N-O 2.67Å; S29-G33 CarbonylContact O-C 3.49Å; S29-G33 WeakPolarHBondContact O-CA 3.4Å; S29-G33 PolarHBondContact O-N 3.18Å
30	K	86.7	Confident	86.2	Confident	134 Å²	134	48.8 Å²	48.8	58%	0.583	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-32.2	176.4	-65.4	177.5	-179.9	177.4	0	113	Q72	K30-Q72 VanDerWaalsContact CE-OE1 3.27Å
31	S	83.3	Confident	87.2	Confident	101 Å²	101	50.6 Å²	50.6	71%	0.706	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-32.3	179	46.6	0	0	0	0	113.5	S29	S29-S31 PolarHBondContact O-N 2.93Å; S29-S31 PolarHBondContact OG-OG 2.81Å
32	T	83.8	Confident	87.2	Confident	58 Å²	58	48 Å²	48	36%	0.356	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-22.4	180	58.5	0	0	0	0	112.9	S29	S29-T32 PolarHBondContact N-OG1 3.25Å; S29-T32 PolarHBondContact O-N 2.82Å; S29-T32 PolarHBondContact O-OG1 3.36Å; S29-T32 WeakPolarHBondContact OG-CG2 3.4Å; S29-T32 PolarHBondContact OG-N 2.87Å; S29-T32 VanDerWaalsContact OG-N 3.15Å; S29-T32 PolarHBondContact OG-OG1 3.08Å
33	G	87.2	Confident	87.2	Confident	6 Å²	6	46.6 Å²	46.6	6%	0.062	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	82	178.1	-160.6	0	0	0	0	0	111.6	S29	S29-G33 PolarHBondContact N-O 2.67Å; S29-G33 CarbonylContact O-C 3.49Å; S29-G33 WeakPolarHBondContact O-CA 3.4Å; S29-G33 PolarHBondContact O-N 3.18Å
34	V	92.5	Very high	87.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.8	178.3	179.3	0	0	0	0	110.5	M26 C27 H56 I57 Y68 V73	M26-V34 HydrophobicContact CB-CG1 3.61Å; M26-V34 HydrophobicContact CG-CG1 4.11Å; M26-V34 HydrophobicContact SD-CG1 3.75Å; C27-V34 WeakPolarHBondContact O-CA 3.07Å; V34-H56 WeakPolarHBondContact O-CA 3.17Å; V34-I57 HydrophobicContact CG1-CD1 4.13Å; V34-I57 PolarHBondContact O-N 2.78Å; V34-Y68 WeakPolarHBondContact CG2-O 3.28Å; V34-V73 HydrophobicContact CB-CG2 4.18Å; V34-V73 HydrophobicContact CG1-CB 4.5Å; V34-V73 HydrophobicContact CG1-CG1 4.39Å; V34-V73 HydrophobicContact CG2-CB 4.1Å; V34-V73 HydrophobicContact CG2-CG2 3.45Å; V34-V73 VanDerWaalsContact CG2-CG2 3.45Å
35	I	92.5	Very high	87.2	Confident	41 Å²	41	45.3 Å²	45.3	21%	0.21	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.1	-172.4	-49	-178.5	0	0	0	109.6	M26 C27 R37 D55 H56	M26-I35 CarbonylContact C-O 3.57Å; M26-I35 WeakPolarHBondContact CA-O 3.41Å; C27-I35 PolarHBondContact N-O 2.64Å; C27-I35 PolarHBondContact O-N 3Å; I35-R37 PolarHBondContact O-N 2.64Å; I35-D55 CarbonylContact C-O 3.51Å; I35-D55 VanDerWaalsContact CA-O 3.31Å; I35-D55 WeakPolarHBondContact CA-O 3.24Å; I35-H56 WeakPolarHBondContact CD1-NE2 3.38Å
36	V	92.9	Very high	87.2	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	117.1	173.3	179.9	0	0	0	0	109.6	F24 I39 L51 R52 G54 D55 I57	F24-V36 HydrophobicContact CB-CG1 4.28Å; F24-V36 HydrophobicContact CD2-CG2 4.49Å; V36-I39 HydrophobicContact CG1-CG1 4.13Å; V36-L51 HydrophobicContact CG1-CD2 4.3Å; V36-L51 HydrophobicContact CG1-CG 4.44Å; V36-L51 HydrophobicContact CG2-CD1 3.95Å; V36-L51 HydrophobicContact CG2-CD2 4.11Å; V36-L51 HydrophobicContact CG2-CG 4.09Å; V36-R52 WeakPolarHBondContact CB-O 3.3Å; V36-G54 PolarHBondContact O-N 2.74Å; V36-D55 HydrophobicContact CB-CB 4.31Å; V36-D55 HydrophobicContact CG2-CB 3.97Å; V36-D55 PolarHBondContact N-O 3.22Å; V36-I57 HydrophobicContact CG2-CD1 4.22Å; V36-I57 HydrophobicContact CG2-CG1 4.1Å
37	R	91	Very high	86.7	Confident	181 Å²	181	51.1 Å²	51.1	68%	0.683	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	-38.1	-174.9	-177.4	54	-179.2	152.6	-1.2	113.2	G25 C27 I35	G25-R37 PolarHBondContact O-N 2.78Å; C27-R37 HydrophobicContact CB-CB 4.03Å; C27-R37 HydrophobicContact CB-CG 4.34Å; I35-R37 PolarHBondContact O-N 2.64Å
38	C	88.6	Confident	86.6	Confident	48 Å²	48	51 Å²	51	32%	0.324	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	151.8	178.6	61	0	0	0	0	109.4	F24 G25 L53	F24-C38 CarbonylContact C-O 3.48Å; F24-C38 WeakPolarHBondContact CA-O 3.45Å; F24-C38 WeakPolarHBondContact CB-O 3.32Å; G25-C38 VanDerWaalsContact CA-SG 3.56Å; G25-C38 PolarHBondContact N-O 3.45Å; G25-C38 PolarHBondContact O-N 3.06Å; C38-L53 VanDerWaalsContact CA-CD2 3.48Å
39	I	89.3	Confident	86.6	Confident	26 Å²	26	49.7 Å²	49.7	13%	0.133	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.8	167.7	-64.1	164.5	0	0	0	105.6	G23 F24 V36 A45 E46 L51 L53	G23-I39 CarbonylContact O-C 3.58Å; G23-I39 WeakPolarHBondContact O-CA 3.45Å; F24-I39 HydrophobicContact CB-CG1 4.46Å; V36-I39 HydrophobicContact CG1-CG1 4.13Å; I39-A45 HydrophobicContact CG2-CB 4.48Å; I39-E46 HydrophobicContact CG2-CB 3.76Å; I39-E46 HydrophobicContact CG2-CG 4.37Å; I39-L51 WeakPolarHBondContact CD1-O 3.34Å; I39-L53 HydrophobicContact CD1-CD2 4.3Å; I39-L53 HydrophobicContact CG1-CD2 4.12Å
40	T	82.6	Confident	86.8	Confident	53 Å²	53	50.3 Å²	50.3	33%	0.325	28%	0.275	S	S	.	.			trans	-92.4	126.7	-175.8	-54	0	0	0	0	109	H21 G23 G42 G43	H21-T40 VanDerWaalsContact CE1-CG2 3.48Å; H21-T40 WeakPolarHBondContact CE1-CG2 3.41Å; G23-T40 PolarHBondContact O-N 3.29Å; T40-G42 PolarHBondContact O-N 2.91Å; T40-G43 PolarHBondContact O-N 3.3Å; T40-G43 VanDerWaalsContact O-N 3.13Å
41	P	81.5	Confident	87	Confident	66 Å²	66	44.1 Å²	44.1	43%	0.429	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	137.4	176.5	-26.8	35.4	0	0	0	112.7	G43 E46 F497	P41-G43 PolarHBondContact O-N 2.8Å; P41-E46 WeakPolarHBondContact CA-OE2 3.33Å; P41-F497 HydrophobicContact CG-CD2 4.07Å; P41-F497 HydrophobicContact CG-CE2 3.97Å
42	G	78.8	Confident	87.4	Confident	45 Å²	45	45 Å²	45	46%	0.464	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	-1.1	-177.4	0	0	0	0	0	115.3	T40 E46	T40-G42 PolarHBondContact O-N 2.91Å; G42-E46 PolarHBondContact N-OE2 3.26Å
43	G	84	Confident	87.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-82.2	162	177.4	0	0	0	0	0	113.7	H21 T40 P41 A45 E46 L47	H21-G43 WeakPolarHBondContact CE1-CA 3.5Å; H21-G43 WeakPolarHBondContact ND1-CA 3.39Å; T40-G43 PolarHBondContact O-N 3.3Å; T40-G43 VanDerWaalsContact O-N 3.13Å; P41-G43 PolarHBondContact O-N 2.8Å; G43-A45 PolarHBondContact O-N 3.38Å; G43-A45 VanDerWaalsContact O-N 3.14Å; G43-E46 PolarHBondContact O-N 2.71Å; G43-L47 WeakPolarHBondContact O-CG 3.21Å; G43-L47 PolarHBondContact O-N 2.79Å
44	A	85.9	Confident	87.9	Confident	2 Å²	2	47.8 Å²	47.8	2%	0.017	26%	0.256	C	S	.	.	H	α-helix	trans	-53.6	-37.6	-179.2	0	0	0	0	0	113.7	I15 V16 H21 L47 D48	I15-A44 VanDerWaalsContact O-CB 3.28Å; I15-A44 WeakPolarHBondContact O-CB 3.48Å; V16-A44 HydrophobicContact CG2-CB 4Å; H21-A44 PolarHBondContact O-N 3.47Å; A44-L47 PolarHBondContact O-N 2.78Å; A44-D48 PolarHBondContact O-N 3.39Å
45	A	89.1	Confident	88	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69.7	-32.2	176.9	0	0	0	0	0	114.9	L14 L22 F24 I39 G43 G49 L51	L14-A45 HydrophobicContact CD1-CB 4.27Å; L14-A45 HydrophobicContact CD2-CB 4.35Å; L22-A45 VanDerWaalsContact O-CB 3.3Å; L22-A45 WeakPolarHBondContact O-CB 3.48Å; L22-A45 PolarHBondContact O-N 2.88Å; F24-A45 HydrophobicContact CB-CB 4.29Å; F24-A45 HydrophobicContact CD1-CB 3.81Å; I39-A45 HydrophobicContact CG2-CB 4.48Å; G43-A45 PolarHBondContact O-N 3.38Å; G43-A45 VanDerWaalsContact O-N 3.14Å; A45-G49 PolarHBondContact O-N 3.37Å; A45-L51 HydrophobicContact CB-CB 4.36Å; A45-L51 HydrophobicContact CB-CD2 3.68Å
46	E	87.6	Confident	88.1	Confident	67 Å²	67	47.3 Å²	47.3	31%	0.313	25%	0.253	S	S	.	.	H	α-helix	trans	-74	-39.6	172.7	-168	-172.3	-127.7	0	0	110.4	I39 P41 G42 G43 D48 G49	I39-E46 HydrophobicContact CG2-CB 3.76Å; I39-E46 HydrophobicContact CG2-CG 4.37Å; P41-E46 WeakPolarHBondContact CA-OE2 3.33Å; G42-E46 PolarHBondContact N-OE2 3.26Å; G43-E46 PolarHBondContact O-N 2.71Å; E46-D48 VanDerWaalsContact C-N 3.33Å; E46-D48 PolarHBondContact O-N 3.31Å; E46-G49 PolarHBondContact O-N 3.42Å
47	L	82.1	Confident	88.1	Confident	123 Å²	123	47.3 Å²	47.3	64%	0.644	25%	0.253	S	S	*	.	H	α-helix	trans	-64.8	-34.2	179	-66.6	175.1	0	0	0	113.1	T20 G43 A44	T20-L47 HydrophobicContact CG2-CD1 4.26Å; G43-L47 WeakPolarHBondContact O-CG 3.21Å; G43-L47 PolarHBondContact O-N 2.79Å; A44-L47 PolarHBondContact O-N 2.78Å
48	D	87.2	Confident	88.2	Confident	42 Å²	42	39 Å²	39	23%	0.225	22%	0.222	C	C	.	.	H	α-helix	trans	-77.1	-30.9	173.5	-178.7	-94.1	0	0	0	112.9	I12 L14 A44 E46 R50	I12-D48 WeakPolarHBondContact CG2-OD1 3.25Å; L14-D48 HydrophobicContact CD2-CB 3.57Å; A44-D48 PolarHBondContact O-N 3.39Å; E46-D48 VanDerWaalsContact C-N 3.33Å; E46-D48 PolarHBondContact O-N 3.31Å; D48-R50 PolarHBondContact O-N 2.85Å; D48-R50 WeakPolarHBondContact OD1-CB 3.46Å; D48-R50 IonicContact OD1-CZ 2.93Å; D48-R50 PolarHBondContact OD1-N 2.85Å; D48-R50 IonicContact OD1-NE 3.98Å; D48-R50 PolarHBondContact OD1-NE 3.05Å; D48-R50 IonicContact OD1-NH2 2.75Å; D48-R50 PolarHBondContact OD1-NH2 3.28Å; D48-R50 IonicContact OD2-CZ 3.04Å; D48-R50 IonicContact OD2-NE 3.27Å; D48-R50 PolarHBondContact OD2-NE 2.91Å; D48-R50 IonicContact OD2-NH2 3.5Å; D48-R50 PolarHBondContact OD2-NH2 3.32Å
49	G	87.4	Confident	88.5	Confident	9 Å²	9	36.7 Å²	36.7	9%	0.093	21%	0.207	C	C	.	.			trans	79.9	-24.6	170.3	0	0	0	0	0	117.1	A45 E46 E393	A45-G49 PolarHBondContact O-N 3.37Å; E46-G49 PolarHBondContact O-N 3.42Å; G49-E393 WeakPolarHBondContact CA-OE1 3.33Å; G49-E393 WeakPolarHBondContact CA-OE2 3.44Å; G49-E393 VanDerWaalsContact O-OE1 3.13Å
50	R	88	Confident	88.6	Confident	52 Å²	52	35.4 Å²	35.4	20%	0.196	20%	0.2	C	C	.	.			trans	-76.3	-24.3	-175.5	-62.1	177.9	-70.3	177.2	-10.4	114.1	E10 V11 I12 D48 R174	E10-R50 WeakPolarHBondContact OE1-CD 3.48Å; V11-R50 PolarHBondContact O-NH1 3.03Å; V11-R50 VanDerWaalsContact O-NH1 3.09Å; I12-R50 HydrophobicContact CD1-CB 4.06Å; I12-R50 HydrophobicContact CG1-CB 4.02Å; D48-R50 PolarHBondContact O-N 2.85Å; D48-R50 WeakPolarHBondContact OD1-CB 3.46Å; D48-R50 IonicContact OD1-CZ 2.93Å; D48-R50 PolarHBondContact OD1-N 2.85Å; D48-R50 IonicContact OD1-NE 3.98Å; D48-R50 PolarHBondContact OD1-NE 3.05Å; D48-R50 IonicContact OD1-NH2 2.75Å; D48-R50 PolarHBondContact OD1-NH2 3.28Å; D48-R50 IonicContact OD2-CZ 3.04Å; D48-R50 IonicContact OD2-NE 3.27Å; D48-R50 PolarHBondContact OD2-NE 2.91Å; D48-R50 IonicContact OD2-NH2 3.5Å; D48-R50 PolarHBondContact OD2-NH2 3.32Å; R50-R174 PolarHBondContact O-NH2 3.08Å
51	L	92.1	Very high	88.8	Confident	5 Å²	5	35.5 Å²	35.5	3%	0.026	19%	0.194	C	C	.	.			trans	-75.3	130.6	177.8	-166	71	0	0	0	109.8	I12 F24 V36 I39 A45 V172	I12-L51 HydrophobicContact CD1-CB 4.13Å; I12-L51 HydrophobicContact CD1-CD1 3.81Å; F24-L51 HydrophobicContact CB-CD2 3.84Å; F24-L51 HydrophobicContact CD1-CD2 3.43Å; F24-L51 VanDerWaalsContact CD1-CD2 3.43Å; F24-L51 HydrophobicContact CD2-CD2 4.31Å; F24-L51 HydrophobicContact CE1-CD2 3.94Å; F24-L51 HydrophobicContact CG-CD2 3.62Å; V36-L51 HydrophobicContact CG1-CD2 4.3Å; V36-L51 HydrophobicContact CG1-CG 4.44Å; V36-L51 HydrophobicContact CG2-CD1 3.95Å; V36-L51 HydrophobicContact CG2-CD2 4.11Å; V36-L51 HydrophobicContact CG2-CG 4.09Å; I39-L51 WeakPolarHBondContact CD1-O 3.34Å; A45-L51 HydrophobicContact CB-CB 4.36Å; A45-L51 HydrophobicContact CB-CD2 3.68Å; L51-V172 HydrophobicContact CD1-CG1 3.74Å
52	R	91.5	Very high	88.9	Confident	120 Å²	120	37.7 Å²	37.7	45%	0.453	20%	0.203	S	C	.	.			trans	-123.2	156.2	-175.5	-57.7	178.8	-171.7	157.6	7.2	112.2	E8 V36 G54 D55 R174	E8-R52 IonicContact OE1-NH1 2.77Å; V36-R52 WeakPolarHBondContact CB-O 3.3Å; R52-G54 PolarHBondContact O-N 2.77Å; R52-D55 PolarHBondContact N-OD2 3.16Å; R52-D55 VanDerWaalsContact O-CB 3.3Å; R52-D55 WeakPolarHBondContact O-CB 3.47Å; R52-D55 PolarHBondContact O-N 2.91Å; R52-R174 VanDerWaalsContact NH1-NH1 3.11Å
53	L	91.1	Very high	89.3	Confident	82 Å²	82	39.9 Å²	39.9	43%	0.429	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	133.8	171	-58.9	-175.9	0	0	0	110.4	C38 I39 D55	C38-L53 VanDerWaalsContact CA-CD2 3.48Å; I39-L53 HydrophobicContact CD1-CD2 4.3Å; I39-L53 HydrophobicContact CG1-CD2 4.12Å; L53-D55 VanDerWaalsContact C-N 3.34Å
54	G	90.6	Very high	89.5	Confident	39 Å²	39	42.7 Å²	42.7	40%	0.402	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	-1.9	-177.4	0	0	0	0	0	114.7	V36 R52 H56	V36-G54 PolarHBondContact O-N 2.74Å; R52-G54 PolarHBondContact O-N 2.77Å; G54-H56 PolarHBondContact O-N 2.84Å
55	D	94.5	Very high	89.9	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.011	22%	0.215	C	C	.	.			trans	-63.5	133.2	173.5	-76.5	-6.1	0	0	0	111.3	I35 V36 R52 L53 V172 R174	I35-D55 CarbonylContact C-O 3.51Å; I35-D55 VanDerWaalsContact CA-O 3.31Å; I35-D55 WeakPolarHBondContact CA-O 3.24Å; V36-D55 HydrophobicContact CB-CB 4.31Å; V36-D55 HydrophobicContact CG2-CB 3.97Å; V36-D55 PolarHBondContact N-O 3.22Å; R52-D55 PolarHBondContact N-OD2 3.16Å; R52-D55 VanDerWaalsContact O-CB 3.3Å; R52-D55 WeakPolarHBondContact O-CB 3.47Å; R52-D55 PolarHBondContact O-N 2.91Å; L53-D55 VanDerWaalsContact C-N 3.34Å; D55-V172 HydrophobicContact CB-CB 4.21Å; D55-V172 HydrophobicContact CB-CG1 4.46Å; D55-R174 IonicContact OD1-CZ 2.84Å; D55-R174 IonicContact OD1-NE 2.74Å; D55-R174 PolarHBondContact OD1-NE 3.22Å; D55-R174 IonicContact OD1-NH2 2.7Å; D55-R174 PolarHBondContact OD1-NH2 3.23Å; D55-R174 IonicContact OD2-CZ 3.42Å; D55-R174 IonicContact OD2-NE 3.23Å; D55-R174 IonicContact OD2-NH2 3.8Å; D55-R174 PolarHBondContact OD2-NH2 2.75Å
56	H	93.8	Very high	89.8	Confident	30 Å²	30	43.8 Å²	43.8	14%	0.139	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	123	170.5	-70.9	-165.5	0	0	0	109.1	V34 I35 G54 V58 V172 A173	V34-H56 WeakPolarHBondContact O-CA 3.17Å; I35-H56 WeakPolarHBondContact CD1-NE2 3.38Å; G54-H56 PolarHBondContact O-N 2.84Å; H56-V58 HydrophobicContact CB-CG2 4.34Å; H56-V58 PolarHBondContact O-N 2.77Å; H56-V172 CarbonylContact O-C 3.54Å; H56-V172 VanDerWaalsContact O-CA 3.27Å; H56-V172 WeakPolarHBondContact O-CA 3.36Å; H56-A173 WeakPolarHBondContact CB-O 3.44Å; H56-A173 PolarHBondContact N-O 3.24Å; H56-A173 PolarHBondContact O-N 3.46Å
57	I	94.1	Very high	89.7	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	115.6	173.1	-55.4	174.3	0	0	0	107.2	F24 V34 V36 I60 V65 M170	F24-I57 HydrophobicContact CD2-CD1 4.48Å; F24-I57 HydrophobicContact CE2-CD1 3.6Å; F24-I57 HydrophobicContact CZ-CD1 4.08Å; V34-I57 HydrophobicContact CG1-CD1 4.13Å; V34-I57 PolarHBondContact O-N 2.78Å; V36-I57 HydrophobicContact CG2-CD1 4.22Å; V36-I57 HydrophobicContact CG2-CG1 4.1Å; I57-I60 HydrophobicContact CG2-CD1 4.02Å; I57-I60 HydrophobicContact CG2-CG1 3.87Å; I57-V65 HydrophobicContact CG2-CG2 3.93Å; I57-M170 HydrophobicContact CB-CE 4.42Å; I57-M170 HydrophobicContact CD1-CE 3.73Å; I57-M170 HydrophobicContact CG1-CE 3.89Å; I57-M170 HydrophobicContact CG2-CE 3.66Å
58	V	93.2	Very high	90.2	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.03	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-37.6	-171.9	169.4	0	0	0	0	111.4	H56 N64 V65 R66 I171 A173 I215	H56-V58 HydrophobicContact CB-CG2 4.34Å; H56-V58 PolarHBondContact O-N 2.77Å; V58-N64 PolarHBondContact O-OD1 3Å; V58-V65 WeakPolarHBondContact O-CG2 3.14Å; V58-V65 PolarHBondContact O-N 3.32Å; V58-R66 HydrophobicContact CB-CG 4.13Å; V58-R66 HydrophobicContact CG1-CG 3.63Å; V58-R66 HydrophobicContact CG2-CG 4.18Å; V58-I171 PolarHBondContact N-O 3.11Å; V58-A173 HydrophobicContact CG2-CB 3.65Å; V58-I215 HydrophobicContact CG1-CD1 3.17Å; V58-I215 HydrophobicContact CG1-CG1 3.84Å
59	C	93	Very high	90.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	148.3	176.8	-165.7	0	0	0	0	111.6	R61 H63 M170 I171	C59-R61 PolarHBondContact SG-O 3.01Å; C59-H63 VanDerWaalsContact CA-O 3.31Å; C59-H63 WeakPolarHBondContact CA-O 3.47Å; C59-H63 PolarHBondContact SG-O 3.04Å; C59-M170 WeakPolarHBondContact O-CA 3.13Å; C59-I171 HydrophobicContact CB-CB 3.75Å; C59-I171 HydrophobicContact CB-CD1 3.7Å; C59-I171 HydrophobicContact CB-CG1 3.89Å; C59-I171 PolarHBondContact N-O 3.43Å; C59-I171 PolarHBondContact O-N 2.85Å
60	I	91.9	Very high	90.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	115.6	173.2	-57	-176.4	0	0	0	108.1	I57 D62 H63 V65 V73 V76 L77 I168	I57-I60 HydrophobicContact CG2-CD1 4.02Å; I57-I60 HydrophobicContact CG2-CG1 3.87Å; I60-D62 PolarHBondContact O-N 3Å; I60-H63 PolarHBondContact N-O 2.85Å; I60-H63 WeakPolarHBondContact O-CB 3.41Å; I60-H63 PolarHBondContact O-N 3.43Å; I60-V65 HydrophobicContact CD1-CG1 4.42Å; I60-V65 HydrophobicContact CD1-CG2 4.47Å; I60-V65 HydrophobicContact CG1-CG1 4.36Å; I60-V65 HydrophobicContact CG1-CG2 4.18Å; I60-V73 HydrophobicContact CD1-CG1 3.51Å; I60-V76 HydrophobicContact CB-CG1 4.27Å; I60-V76 HydrophobicContact CG2-CG1 4.31Å; I60-L77 HydrophobicContact CD1-CD1 4.16Å; I60-L77 HydrophobicContact CD1-CD2 3.74Å; I60-L77 HydrophobicContact CD1-CG 3.62Å; I60-L77 HydrophobicContact CG2-CD2 3.85Å; I60-I168 HydrophobicContact CG2-CG2 4.33Å
61	R	86.3	Confident	90.6	Very high	54 Å²	54	46.1 Å²	46.1	20%	0.204	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	-111.1	-165.9	-166.1	-165.8	-65.4	-168.1	-0	109.1	C59 T80 C84 E87 R169	C59-R61 PolarHBondContact SG-O 3.01Å; R61-T80 HydrophobicContact CB-CG2 4.4Å; R61-T80 VanDerWaalsContact NH2-CG2 3.31Å; R61-T80 PolarHBondContact NH2-O 2.73Å; R61-C84 PolarHBondContact NH2-SG 3.42Å; R61-E87 IonicContact NH1-OE1 3.19Å; R61-E87 PolarHBondContact NH1-OE1 2.89Å; R61-R169 PolarHBondContact N-O 3.01Å
62	D	83.9	Confident	90.6	Very high	113 Å²	113	49.4 Å²	49.4	60%	0.604	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	8	-178	-47.6	-49.5	0	0	0	112.9	I60	I60-D62 PolarHBondContact O-N 3Å
63	H	87.3	Confident	90.7	Very high	90 Å²	90	43.7 Å²	43.7	42%	0.417	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	112.8	-176.2	-59	88.1	0	0	0	111.6	C59 I60 V65 V76	C59-H63 VanDerWaalsContact CA-O 3.31Å; C59-H63 WeakPolarHBondContact CA-O 3.47Å; C59-H63 PolarHBondContact SG-O 3.04Å; I60-H63 PolarHBondContact N-O 2.85Å; I60-H63 WeakPolarHBondContact O-CB 3.41Å; I60-H63 PolarHBondContact O-N 3.43Å; H63-V65 PolarHBondContact O-N 2.91Å; H63-V76 HydrophobicContact CB-CG1 4.22Å
64	N	89.7	Confident	90.7	Very high	60 Å²	60	40.8 Å²	40.8	32%	0.321	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	119.9	168.4	-173.8	-22.5	0	0	0	109.9	V58 R66 L219	V58-N64 PolarHBondContact O-OD1 3Å; N64-R66 WeakPolarHBondContact OD1-CB 3.31Å; N64-R66 WeakPolarHBondContact OD1-CG 3.2Å; N64-R66 PolarHBondContact OD1-N 3.48Å; N64-L219 HydrophobicContact CB-CD1 4.39Å
65	V	92.5	Very high	90.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.22	C	C	.	.			trans	-113.8	12	-173.4	-67	0	0	0	0	113.6	I57 V58 I60 H63 S67 Y68 V73	I57-V65 HydrophobicContact CG2-CG2 3.93Å; V58-V65 WeakPolarHBondContact O-CG2 3.14Å; V58-V65 PolarHBondContact O-N 3.32Å; I60-V65 HydrophobicContact CD1-CG1 4.42Å; I60-V65 HydrophobicContact CD1-CG2 4.47Å; I60-V65 HydrophobicContact CG1-CG1 4.36Å; I60-V65 HydrophobicContact CG1-CG2 4.18Å; H63-V65 PolarHBondContact O-N 2.91Å; V65-S67 PolarHBondContact O-N 2.88Å; V65-S67 VanDerWaalsContact O-N 3.14Å; V65-Y68 HydrophobicContact CB-CD2 4.36Å; V65-Y68 HydrophobicContact CB-CG 4.3Å; V65-Y68 HydrophobicContact CG1-CD2 4.03Å; V65-Y68 HydrophobicContact CG1-CE2 4.41Å; V65-Y68 HydrophobicContact CG1-CG 4.45Å; V65-Y68 WeakPolarHBondContact O-CB 3.37Å; V65-Y68 PolarHBondContact O-N 3Å; V65-V73 HydrophobicContact CB-CG2 3.87Å; V65-V73 HydrophobicContact CG1-CG2 4.27Å; V65-V73 HydrophobicContact CG2-CG2 4.32Å
66	R	87.8	Confident	90.6	Very high	24 Å²	24	42.1 Å²	42.1	9%	0.091	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-30.8	-175.4	-75.1	179.5	68.8	172.2	-20.3	114.8	M1 V58 N64 L211 D212	M1-R66 HydrophobicContact CE-CB 3.68Å; M1-R66 HydrophobicContact CE-CG 4.2Å; M1-R66 PolarHBondContact SD-NH2 2.66Å; V58-R66 HydrophobicContact CB-CG 4.13Å; V58-R66 HydrophobicContact CG1-CG 3.63Å; V58-R66 HydrophobicContact CG2-CG 4.18Å; N64-R66 WeakPolarHBondContact OD1-CB 3.31Å; N64-R66 WeakPolarHBondContact OD1-CG 3.2Å; N64-R66 PolarHBondContact OD1-N 3.48Å; R66-L211 VanDerWaalsContact NH1-CD2 3.29Å; R66-D212 IonicContact CZ-OD1 2.73Å; R66-D212 IonicContact CZ-OD2 3.36Å; R66-D212 IonicContact NE-OD1 3.48Å; R66-D212 IonicContact NH1-OD1 2.63Å; R66-D212 PolarHBondContact NH1-OD1 2.92Å; R66-D212 IonicContact NH1-OD2 3.56Å; R66-D212 IonicContact NH2-OD1 2.74Å; R66-D212 PolarHBondContact NH2-OD1 3.06Å; R66-D212 IonicContact NH2-OD2 3.47Å; R66-D212 PolarHBondContact NH2-OD2 3.22Å
67	S	85.5	Confident	90.5	Very high	87 Å²	87	41 Å²	41	61%	0.608	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	8.4	-179.5	-52.2	0	0	0	0	113	V65	V65-S67 PolarHBondContact O-N 2.88Å; V65-S67 VanDerWaalsContact O-N 3.14Å
68	Y	91.7	Very high	90.2	Very high	85 Å²	85	48 Å²	48	33%	0.333	24%	0.244	S	C	.	.			trans	-95.2	149.9	-174.7	-74.6	27	0	0	0	110.3	V34 V65 Q72 V73 V76	V34-Y68 WeakPolarHBondContact CG2-O 3.28Å; V65-Y68 HydrophobicContact CB-CD2 4.36Å; V65-Y68 HydrophobicContact CB-CG 4.3Å; V65-Y68 HydrophobicContact CG1-CD2 4.03Å; V65-Y68 HydrophobicContact CG1-CE2 4.41Å; V65-Y68 HydrophobicContact CG1-CG 4.45Å; V65-Y68 WeakPolarHBondContact O-CB 3.37Å; V65-Y68 PolarHBondContact O-N 3Å; Y68-Q72 HydrophobicContact CD2-CB 3.78Å; Y68-Q72 HydrophobicContact CG-CB 4.13Å; Y68-V73 HydrophobicContact CD2-CG2 4.47Å; Y68-V76 HydrophobicContact CD2-CG2 4.19Å; Y68-V76 HydrophobicContact CE2-CG2 3.85Å
69	G	90.5	Very high	89.9	Confident	8 Å²	8	53 Å²	53	8%	0.082	27%	0.267	C	S	.	.			trans	-82.6	165.8	167.5	0	0	0	0	0	111.8	D71 Q72 V73	G69-D71 VanDerWaalsContact C-N 3.28Å; G69-D71 PolarHBondContact O-N 2.81Å; G69-Q72 WeakPolarHBondContact O-CB 3.1Å; G69-Q72 PolarHBondContact O-N 3.03Å; G69-Q72 VanDerWaalsContact O-N 3.08Å; G69-V73 WeakPolarHBondContact O-CG2 3.49Å; G69-V73 PolarHBondContact O-N 3.04Å
70	P	89.8	Confident	89.6	Confident	31 Å²	31	53.1 Å²	53.1	20%	0.201	27%	0.268	C	S	.	.	H	α-helix	trans	-55.1	-40.2	-179.1	21.4	-32.6	0	0	0	113	M26 G28 Q72 V73 A74	M26-P70 HydrophobicContact CG-CB 3.9Å; M26-P70 HydrophobicContact SD-CB 3.9Å; G28-P70 WeakPolarHBondContact O-CD 3.36Å; P70-Q72 VanDerWaalsContact C-N 3.35Å; P70-Q72 PolarHBondContact O-N 3.14Å; P70-V73 PolarHBondContact O-N 2.84Å; P70-A74 WeakPolarHBondContact O-CB 3.4Å; P70-A74 PolarHBondContact O-N 3.3Å
71	D	91.2	Very high	89.3	Confident	131 Å²	131	55.2 Å²	55.2	70%	0.701	28%	0.279	S	S	*	.	H	α-helix	trans	-65.6	-36.5	179.1	-59.5	-39.8	0	0	0	113.3	G69 T75	G69-D71 VanDerWaalsContact C-N 3.28Å; G69-D71 PolarHBondContact O-N 2.81Å; D71-T75 PolarHBondContact O-N 2.96Å; D71-T75 PolarHBondContact O-OG1 3.42Å
72	Q	93.4	Very high	89.1	Confident	75 Å²	75	56.1 Å²	56.1	35%	0.35	29%	0.294	S	S	.	.	H	α-helix	trans	-69.6	-44.5	176.9	-67.5	177.7	-53	0	0	110.2	K30 Y68 G69 P70 T75 V76	K30-Q72 VanDerWaalsContact CE-OE1 3.27Å; Y68-Q72 HydrophobicContact CD2-CB 3.78Å; Y68-Q72 HydrophobicContact CG-CB 4.13Å; G69-Q72 WeakPolarHBondContact O-CB 3.1Å; G69-Q72 PolarHBondContact O-N 3.03Å; G69-Q72 VanDerWaalsContact O-N 3.08Å; P70-Q72 VanDerWaalsContact C-N 3.35Å; P70-Q72 PolarHBondContact O-N 3.14Å; Q72-T75 WeakPolarHBondContact O-CB 3.39Å; Q72-T75 PolarHBondContact O-N 3.27Å; Q72-T75 VanDerWaalsContact O-N 3.11Å; Q72-V76 WeakPolarHBondContact O-CG2 3.48Å; Q72-V76 PolarHBondContact O-N 2.83Å
73	V	93.4	Very high	89	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-42.5	176.2	178.3	0	0	0	0	111.5	M26 V34 I60 V65 Y68 G69 P70 T75 V76 L77	M26-V73 HydrophobicContact CE-CB 4.4Å; M26-V73 HydrophobicContact CE-CG1 3.87Å; M26-V73 HydrophobicContact SD-CB 4.04Å; M26-V73 HydrophobicContact SD-CG1 4.1Å; V34-V73 HydrophobicContact CB-CG2 4.18Å; V34-V73 HydrophobicContact CG1-CB 4.5Å; V34-V73 HydrophobicContact CG1-CG1 4.39Å; V34-V73 HydrophobicContact CG2-CB 4.1Å; V34-V73 HydrophobicContact CG2-CG2 3.45Å; V34-V73 VanDerWaalsContact CG2-CG2 3.45Å; I60-V73 HydrophobicContact CD1-CG1 3.51Å; V65-V73 HydrophobicContact CB-CG2 3.87Å; V65-V73 HydrophobicContact CG1-CG2 4.27Å; V65-V73 HydrophobicContact CG2-CG2 4.32Å; Y68-V73 HydrophobicContact CD2-CG2 4.47Å; G69-V73 WeakPolarHBondContact O-CG2 3.49Å; G69-V73 PolarHBondContact O-N 3.04Å; P70-V73 PolarHBondContact O-N 2.84Å; V73-T75 PolarHBondContact O-N 2.87Å; V73-V76 PolarHBondContact O-N 2.83Å; V73-L77 HydrophobicContact CG1-CD1 4.37Å; V73-L77 PolarHBondContact O-N 3.23Å
74	A	90.2	Very high	88.6	Confident	21 Å²	21	51 Å²	51	17%	0.174	27%	0.271	C	S	.	.	H	α-helix	trans	-60.6	-34.7	173.8	0	0	0	0	0	112.2	M26 P70 R78	M26-A74 HydrophobicContact SD-CB 4.39Å; P70-A74 WeakPolarHBondContact O-CB 3.4Å; P70-A74 PolarHBondContact O-N 3.3Å; A74-R78 WeakPolarHBondContact O-CG 3.48Å; A74-R78 PolarHBondContact O-N 2.88Å
75	T	91.4	Very high	87.8	Confident	55 Å²	55	50.9 Å²	50.9	34%	0.337	27%	0.27	S	S	.	.	H	α-helix	trans	-68.5	-44.2	175.1	-58	0	0	0	0	111.7	D71 Q72 V73 L77 R78 Q79	D71-T75 PolarHBondContact O-N 2.96Å; D71-T75 PolarHBondContact O-OG1 3.42Å; Q72-T75 WeakPolarHBondContact O-CB 3.39Å; Q72-T75 PolarHBondContact O-N 3.27Å; Q72-T75 VanDerWaalsContact O-N 3.11Å; V73-T75 PolarHBondContact O-N 2.87Å; T75-L77 VanDerWaalsContact C-N 3.34Å; T75-L77 PolarHBondContact O-N 2.83Å; T75-R78 PolarHBondContact O-N 3.45Å; T75-R78 PolarHBondContact OG1-NH2 2.8Å; T75-Q79 WeakPolarHBondContact O-CB 3.42Å; T75-Q79 WeakPolarHBondContact O-CG 3.4Å; T75-Q79 PolarHBondContact O-N 2.86Å
76	V	93	Very high	86.6	Confident	13 Å²	13	53.7 Å²	53.7	8%	0.079	29%	0.289	C	S	.	.	H	α-helix	trans	-60.8	-42.6	174.9	174.3	0	0	0	0	111.1	I60 H63 Y68 Q72 V73 Q79 T80	I60-V76 HydrophobicContact CB-CG1 4.27Å; I60-V76 HydrophobicContact CG2-CG1 4.31Å; H63-V76 HydrophobicContact CB-CG1 4.22Å; Y68-V76 HydrophobicContact CD2-CG2 4.19Å; Y68-V76 HydrophobicContact CE2-CG2 3.85Å; Q72-V76 WeakPolarHBondContact O-CG2 3.48Å; Q72-V76 PolarHBondContact O-N 2.83Å; V73-V76 PolarHBondContact O-N 2.83Å; V76-Q79 PolarHBondContact O-N 2.82Å; V76-T80 VanDerWaalsContact O-CB 3.27Å; V76-T80 WeakPolarHBondContact O-CB 3.35Å; V76-T80 PolarHBondContact O-N 2.8Å; V76-T80 PolarHBondContact O-OG1 3.35Å
77	L	90.5	Very high	85.4	Confident	8 Å²	8	56.9 Å²	56.9	4%	0.042	31%	0.305	C	S	.	.	H	α-helix	trans	-60.4	-49.2	175.3	-77.7	165.2	0	0	0	112.1	L22 F24 M26 I60 V73 T75 Q79 T80 I81 I168	L22-L77 HydrophobicContact CD2-CD1 3.76Å; L22-L77 HydrophobicContact CD2-CD2 3.99Å; L22-L77 HydrophobicContact CD2-CG 4.39Å; F24-L77 HydrophobicContact CZ-CD1 4.11Å; M26-L77 HydrophobicContact CE-CD1 3.63Å; I60-L77 HydrophobicContact CD1-CD1 4.16Å; I60-L77 HydrophobicContact CD1-CD2 3.74Å; I60-L77 HydrophobicContact CD1-CG 3.62Å; I60-L77 HydrophobicContact CG2-CD2 3.85Å; V73-L77 HydrophobicContact CG1-CD1 4.37Å; V73-L77 PolarHBondContact O-N 3.23Å; T75-L77 VanDerWaalsContact C-N 3.34Å; T75-L77 PolarHBondContact O-N 2.83Å; L77-Q79 VanDerWaalsContact C-N 3.34Å; L77-Q79 PolarHBondContact O-N 2.85Å; L77-T80 WeakPolarHBondContact O-CB 3.22Å; L77-T80 PolarHBondContact O-N 3.43Å; L77-I81 VanDerWaalsContact O-CG1 3.3Å; L77-I81 WeakPolarHBondContact O-CG1 3.43Å; L77-I81 PolarHBondContact O-N 3.27Å; L77-I168 HydrophobicContact CD2-CG2 4.28Å
78	R	87.9	Confident	83.9	Confident	147 Å²	147	54.1 Å²	54.1	56%	0.555	29%	0.286	S	S	*	.	H	α-helix	trans	-59	-43.7	177.6	-75.5	-176.3	-66.6	-95.2	1.5	112.3	A74 T75 I81 S82	A74-R78 WeakPolarHBondContact O-CG 3.48Å; A74-R78 PolarHBondContact O-N 2.88Å; T75-R78 PolarHBondContact O-N 3.45Å; T75-R78 PolarHBondContact OG1-NH2 2.8Å; R78-I81 PolarHBondContact O-N 3.45Å; R78-S82 PolarHBondContact O-N 2.92Å
79	Q	87.7	Confident	82.1	Confident	110 Å²	110	53.4 Å²	53.4	51%	0.514	29%	0.291	S	S	.	.	H	α-helix	trans	-65	-42.6	176.4	-73.2	174	-15.2	0	0	111.7	T75 V76 L77 I81 S82 N83	T75-Q79 WeakPolarHBondContact O-CB 3.42Å; T75-Q79 WeakPolarHBondContact O-CG 3.4Å; T75-Q79 PolarHBondContact O-N 2.86Å; V76-Q79 PolarHBondContact O-N 2.82Å; L77-Q79 VanDerWaalsContact C-N 3.34Å; L77-Q79 PolarHBondContact O-N 2.85Å; Q79-I81 VanDerWaalsContact C-N 3.35Å; Q79-I81 PolarHBondContact O-N 3.27Å; Q79-S82 PolarHBondContact O-N 3.33Å; Q79-N83 WeakPolarHBondContact O-CB 3.42Å; Q79-N83 PolarHBondContact O-N 3.22Å; Q79-N83 PolarHBondContact O-OD1 3.37Å
80	T	87	Confident	80.2	Confident	4 Å²	4	58.5 Å²	58.5	3%	0.025	32%	0.315	C	S	.	.	H	α-helix	trans	-60	-45	177.5	-60.7	0	0	0	0	111.1	R61 V76 L77 N83 C84 I168	R61-T80 HydrophobicContact CB-CG2 4.4Å; R61-T80 VanDerWaalsContact NH2-CG2 3.31Å; R61-T80 PolarHBondContact NH2-O 2.73Å; V76-T80 VanDerWaalsContact O-CB 3.27Å; V76-T80 WeakPolarHBondContact O-CB 3.35Å; V76-T80 PolarHBondContact O-N 2.8Å; V76-T80 PolarHBondContact O-OG1 3.35Å; L77-T80 WeakPolarHBondContact O-CB 3.22Å; L77-T80 PolarHBondContact O-N 3.43Å; T80-N83 PolarHBondContact O-N 3.16Å; T80-C84 PolarHBondContact O-N 3.29Å; T80-C84 PolarHBondContact O-SG 2.77Å; T80-I168 HydrophobicContact CG2-CG2 4.31Å
81	I	84.7	Confident	78.1	Confident	44 Å²	44	63.9 Å²	63.9	23%	0.226	34%	0.335	C	S	.	.	H	α-helix	trans	-61.3	-49.5	175.8	-67.8	163.1	0	0	0	110.4	L77 R78 Q79 N83 C84 L85 I168	L77-I81 VanDerWaalsContact O-CG1 3.3Å; L77-I81 WeakPolarHBondContact O-CG1 3.43Å; L77-I81 PolarHBondContact O-N 3.27Å; R78-I81 PolarHBondContact O-N 3.45Å; Q79-I81 VanDerWaalsContact C-N 3.35Å; Q79-I81 PolarHBondContact O-N 3.27Å; I81-N83 VanDerWaalsContact C-N 3.29Å; I81-N83 PolarHBondContact O-N 2.83Å; I81-C84 PolarHBondContact O-N 3.46Å; I81-L85 HydrophobicContact CG2-CD1 4.13Å; I81-L85 WeakPolarHBondContact O-CG 3.46Å; I81-L85 PolarHBondContact O-N 2.77Å; I81-I168 HydrophobicContact CD1-CD1 3.91Å; I81-I168 HydrophobicContact CG1-CD1 3.44Å; I81-I168 VanDerWaalsContact CG1-CD1 3.44Å; I81-I168 HydrophobicContact CG1-CG1 4.38Å
82	S	82	Confident	76	Confident	73 Å²	73	62.4 Å²	62.4	51%	0.51	32%	0.324	S	S	.	.	H	α-helix	trans	-58.4	-40.8	178.2	-170.2	0	0	0	0	112.4	R78 Q79 L85 S86	R78-S82 PolarHBondContact O-N 2.92Å; Q79-S82 PolarHBondContact O-N 3.33Å; S82-L85 PolarHBondContact O-N 3.33Å; S82-S86 PolarHBondContact O-N 2.85Å; S82-S86 VanDerWaalsContact O-N 3.14Å
83	N	82	Confident	73.5	Confident	77 Å²	77	63.4 Å²	63.4	41%	0.412	33%	0.332	S	S	.	.	H	α-helix	trans	-68.6	-43.1	178.8	-68.9	-6.8	0	0	0	111.2	Q79 T80 I81 L85 S86 E87	Q79-N83 WeakPolarHBondContact O-CB 3.42Å; Q79-N83 PolarHBondContact O-N 3.22Å; Q79-N83 PolarHBondContact O-OD1 3.37Å; T80-N83 PolarHBondContact O-N 3.16Å; I81-N83 VanDerWaalsContact C-N 3.29Å; I81-N83 PolarHBondContact O-N 2.83Å; N83-L85 VanDerWaalsContact C-N 3.32Å; N83-L85 PolarHBondContact O-N 3.39Å; N83-S86 WeakPolarHBondContact CA-OG 3.48Å; N83-S86 PolarHBondContact O-N 3.33Å; N83-S86 PolarHBondContact O-OG 3.1Å; N83-E87 WeakPolarHBondContact O-CG 3.36Å; N83-E87 PolarHBondContact O-N 3.29Å
84	C	78.7	Confident	71	Confident	19 Å²	19	68.1 Å²	68.1	13%	0.128	37%	0.365	C	S	.	.	H	α-helix	trans	-58.4	-43.1	174.7	-79.7	0	0	0	0	112.2	R61 T80 I81 S86 E87 S88 V166	R61-C84 PolarHBondContact NH2-SG 3.42Å; T80-C84 PolarHBondContact O-N 3.29Å; T80-C84 PolarHBondContact O-SG 2.77Å; I81-C84 PolarHBondContact O-N 3.46Å; C84-S86 VanDerWaalsContact C-N 3.32Å; C84-S86 PolarHBondContact O-N 2.87Å; C84-E87 PolarHBondContact O-N 2.76Å; C84-S88 PolarHBondContact O-N 2.84Å; C84-S88 PolarHBondContact O-OG 3.32Å; C84-V166 HydrophobicContact CB-CB 4.27Å; C84-V166 HydrophobicContact CB-CG1 3.41Å; C84-V166 VanDerWaalsContact CB-CG1 3.41Å; C84-V166 HydrophobicContact CB-CG2 4.08Å
85	L	73.1	Confident	68.7	Low	56 Å²	56	74.4 Å²	74.4	29%	0.293	40%	0.395	S	S	.	.	H	α-helix	trans	-62	-40.6	177	-69.6	171.5	0	0	0	111.6	I81 S82 N83 S88 V89 P164 V166	I81-L85 HydrophobicContact CG2-CD1 4.13Å; I81-L85 WeakPolarHBondContact O-CG 3.46Å; I81-L85 PolarHBondContact O-N 2.77Å; S82-L85 PolarHBondContact O-N 3.33Å; N83-L85 VanDerWaalsContact C-N 3.32Å; N83-L85 PolarHBondContact O-N 3.39Å; L85-S88 WeakPolarHBondContact CA-OG 3.43Å; L85-S88 PolarHBondContact O-N 3.02Å; L85-S88 PolarHBondContact O-OG 2.9Å; L85-V89 WeakPolarHBondContact O-CG2 3.48Å; L85-V89 PolarHBondContact O-N 3.49Å; L85-V89 VanDerWaalsContact O-N 3.17Å; L85-P164 HydrophobicContact CD2-CB 3.72Å; L85-P164 HydrophobicContact CD2-CG 3.85Å; L85-V166 HydrophobicContact CD2-CG2 3.37Å; L85-V166 HydrophobicContact CG-CG2 3.69Å
86	S	67.6	Low	66	Low	59 Å²	59	79.3 Å²	79.3	41%	0.413	41%	0.414	S	S	.	.	H	α-helix	trans	-67.4	-38.5	175.9	66.9	0	0	0	0	112.9	S82 N83 C84 V89 L90	S82-S86 PolarHBondContact O-N 2.85Å; S82-S86 VanDerWaalsContact O-N 3.14Å; N83-S86 WeakPolarHBondContact CA-OG 3.48Å; N83-S86 PolarHBondContact O-N 3.33Å; N83-S86 PolarHBondContact O-OG 3.1Å; C84-S86 VanDerWaalsContact C-N 3.32Å; C84-S86 PolarHBondContact O-N 2.87Å; S86-V89 PolarHBondContact O-N 3.3Å; S86-L90 WeakPolarHBondContact O-CG 3.33Å; S86-L90 PolarHBondContact O-N 3.04Å; S86-L90 VanDerWaalsContact O-N 3.14Å
87	E	63.2	Low	63	Low	91 Å²	91	85.6 Å²	85.6	43%	0.425	44%	0.444	S	S	.	.	H	α-helix	trans	-67.5	-34.1	175.9	-73.2	174	-147.6	0	0	112.1	R61 N83 C84 K91	R61-E87 IonicContact NH1-OE1 3.19Å; R61-E87 PolarHBondContact NH1-OE1 2.89Å; N83-E87 WeakPolarHBondContact O-CG 3.36Å; N83-E87 PolarHBondContact O-N 3.29Å; C84-E87 PolarHBondContact O-N 2.76Å; E87-K91 WeakPolarHBondContact O-CG 3.01Å; E87-K91 PolarHBondContact O-N 2.69Å
88	S	53.7	Low	60.1	Low	30 Å²	30	93.1 Å²	93.1	21%	0.21	49%	0.485	C	S	.	.	H	α-helix	trans	-69.1	-38.4	175.4	53.1	0	0	0	0	112.7	C84 L85 K91 Q92	C84-S88 PolarHBondContact O-N 2.84Å; C84-S88 PolarHBondContact O-OG 3.32Å; L85-S88 WeakPolarHBondContact CA-OG 3.43Å; L85-S88 PolarHBondContact O-N 3.02Å; L85-S88 PolarHBondContact O-OG 2.9Å; S88-K91 PolarHBondContact O-N 3Å; S88-Q92 WeakPolarHBondContact O-CG 2.98Å; S88-Q92 PolarHBondContact O-N 3.31Å
89	V	53	Low	57.5	Low	70 Å²	70	95 Å²	95	42%	0.424	50%	0.499	S	S	.	.	H	α-helix	trans	-68.7	-41.8	178.1	174.4	0	0	0	0	111.2	L85 S86 K91 Q92 D93	L85-V89 WeakPolarHBondContact O-CG2 3.48Å; L85-V89 PolarHBondContact O-N 3.49Å; L85-V89 VanDerWaalsContact O-N 3.17Å; S86-V89 PolarHBondContact O-N 3.3Å; V89-K91 VanDerWaalsContact C-N 3.26Å; V89-K91 PolarHBondContact O-N 3.42Å; V89-Q92 WeakPolarHBondContact O-CB 3.46Å; V89-Q92 PolarHBondContact O-N 3.19Å; V89-D93 PolarHBondContact O-N 3.3Å
90	L	50.6	Low	54.7	Low	115 Å²	115	96 Å²	96	60%	0.602	51%	0.514	S	S	*	.	H	α-helix	trans	-64	-30.2	178	-71	171	0	0	0	113.3	S86 S94	S86-L90 WeakPolarHBondContact O-CG 3.33Å; S86-L90 PolarHBondContact O-N 3.04Å; S86-L90 VanDerWaalsContact O-N 3.14Å; L90-S94 PolarHBondContact O-N 2.95Å; L90-S94 PolarHBondContact O-OG 2.88Å
91	K	46.3	Very low	51.9	Low	144 Å²	144	101.4 Å²	101.4	63%	0.626	55%	0.551	S	S	*	*	H	α-helix	trans	-74.3	-29	173.3	-74.2	175.9	-178.4	172.1	0	112.5	E87 S88 V89	E87-K91 WeakPolarHBondContact O-CG 3.01Å; E87-K91 PolarHBondContact O-N 2.69Å; S88-K91 PolarHBondContact O-N 3Å; V89-K91 VanDerWaalsContact C-N 3.26Å; V89-K91 PolarHBondContact O-N 3.42Å
92	Q	46	Very low	49.3	Very low	99 Å²	99	105.2 Å²	105.2	46%	0.463	58%	0.577	S	S	.	*	H	α-helix	trans	-73.3	-40.1	176.1	-73.2	174	-24.4	0	0	111.9	S88 V89 S94 L95	S88-Q92 WeakPolarHBondContact O-CG 2.98Å; S88-Q92 PolarHBondContact O-N 3.31Å; V89-Q92 WeakPolarHBondContact O-CB 3.46Å; V89-Q92 PolarHBondContact O-N 3.19Å; Q92-S94 VanDerWaalsContact C-N 3.34Å; Q92-S94 PolarHBondContact O-N 3.24Å; Q92-L95 PolarHBondContact O-N 2.87Å
93	D	41.9	Very low	46.8	Very low	97 Å²	97	109.6 Å²	109.6	52%	0.519	60%	0.595	S	S	.	*	H	α-helix	trans	-70.9	-28.8	177.6	-72.7	-21.5	0	0	0	112.9	V89 L95 Q96	V89-D93 PolarHBondContact O-N 3.3Å; D93-L95 PolarHBondContact O-N 2.93Å; D93-Q96 PolarHBondContact O-N 2.81Å
94	S	39.9	Very low	44.3	Very low	98 Å²	98	112.4 Å²	112.4	69%	0.685	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-8.4	178.3	-58.1	0	0	0	0	113.7	L90 Q92	L90-S94 PolarHBondContact O-N 2.95Å; L90-S94 PolarHBondContact O-OG 2.88Å; Q92-S94 VanDerWaalsContact C-N 3.34Å; Q92-S94 PolarHBondContact O-N 3.24Å
95	L	42.5	Very low	42.1	Very low	154 Å²	154	119.3 Å²	119.3	81%	0.806	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	0.7	177.4	-71.9	168.6	0	0	0	113.4	Q92 D93	Q92-L95 PolarHBondContact O-N 2.87Å; D93-L95 PolarHBondContact O-N 2.93Å
96	Q	33.7	Very low	40.2	Very low	157 Å²	157	122.8 Å²	122.8	73%	0.734	67%	0.666	S	S	*	*	S	Bend	trans	-110	15.8	179.3	-68	-168.3	-3.7	0	0	114.2	D93	D93-Q96 PolarHBondContact O-N 2.81Å
97	M	31.2	Very low	38.5	Very low	146 Å²	146	128.1 Å²	128.1	72%	0.719	68%	0.682	S	S	*	*	S	Bend	trans	-124.1	59.6	179.8	-66.6	-90	77.9	0	0	111.1
98	D	30.3	Very low	36.9	Very low	166 Å²	166	131.6 Å²	131.6	89%	0.888	70%	0.695	S	S	*	*	S	Bend	trans	-155	16.9	166.3	-105.6	-18.1	0	0	0	115
99	E	32.5	Very low	35.7	Very low	185 Å²	185	135.9 Å²	135.9	86%	0.864	72%	0.72	S	S	*	*			trans	-121.3	75.9	170.5	-69.1	-161.4	166.8	0	0	110.8
100	T	28	Very low	34.8	Very low	133 Å²	133	137.2 Å²	137.2	82%	0.816	73%	0.733	S	S	*	*			trans	-167.7	82.4	159.7	13.3	0	0	0	0	110.9
101	S	29.3	Very low	33.8	Very low	116 Å²	116	143 Å²	143	81%	0.811	75%	0.747	S	S	*	*			trans	-163.7	95	160.2	-77.7	0	0	0	0	104.7
102	T	29	Very low	33.2	Very low	124 Å²	124	143.8 Å²	143.8	76%	0.761	76%	0.756	S	S	*	*				-168.7	128.1	72.8	47.1	0	0	0	0	109
103	N	30.7	Very low	32.3	Very low	166 Å²	166	149.7 Å²	149.7	89%	0.888	77%	0.774	S	S	*	*			trans	-175.1	98.6	134.5	-92.1	-22.2	0	0	0	109.4
104	T	29.2	Very low	31.9	Very low	136 Å²	136	151 Å²	151	83%	0.834	79%	0.786	S	S	*	*			trans	-99.1	148.3	168.4	-48.7	0	0	0	0	108.8
105	M	32.6	Very low	31.4	Very low	164 Å²	164	155.6 Å²	155.6	81%	0.808	80%	0.797	S	S	*	*			trans	100.7	100.4	177.1	-54	-133.1	-135.3	0	0	111.7
106	N	33.4	Very low	30.9	Very low	129 Å²	129	153.8 Å²	153.8	69%	0.69	79%	0.794	S	S	*	*			cis	-164.3	138.6	46	-92.3	-48.9	0	0	0	112.7
107	K	30.9	Very low	30.8	Very low	170 Å²	170	151.5 Å²	151.5	74%	0.739	80%	0.795	S	S	*	*			trans	31	131	131.5	-77.2	173.8	176	159.5	0	116.8
108	K	29.8	Very low	30.6	Very low	164 Å²	164	150.2 Å²	150.2	71%	0.713	80%	0.796	S	S	*	*			cis	177.8	138.2	38.2	-126.6	170.4	-178.1	-175.1	0	108.6
109	T	29.3	Very low	30.4	Very low	120 Å²	120	149.1 Å²	149.1	74%	0.736	79%	0.79	S	S	*	*			trans	55.3	134	138	56.8	0	0	0	0	119.2
110	S	33.8	Very low	30	Very low	99 Å²	99	150.4 Å²	150.4	69%	0.692	79%	0.787	S	S	*	*			cis	179.4	144	21.9	36.5	0	0	0	0	111.5
111	R	30	Very low	30	Very low	237 Å²	237	151 Å²	151	89%	0.894	78%	0.783	S	S	*	*			trans	57.8	127.5	137.1	-68.1	179.3	174.7	171.5	-1.5	121
112	I	33.5	Very low	29.7	Very low	160 Å²	160	150.5 Å²	150.5	82%	0.821	78%	0.78	S	S	*	*				158.2	106.1	119.8	-78.3	160.7	0	0	0	105.9
113	R	27.8	Very low	29.5	Very low	223 Å²	223	149.5 Å²	149.5	84%	0.842	78%	0.778	S	S	*	*				94.5	135.7	72.5	-167.5	-175.9	-178.5	178.2	0.7	112.5
114	T	31.6	Very low	29.2	Very low	124 Å²	124	146.9 Å²	146.9	76%	0.761	77%	0.768	S	S	*	*			trans	106.5	89.4	166.5	63.4	0	0	0	0	113.4
115	Q	29.9	Very low	29.2	Very low	195 Å²	195	149.6 Å²	149.6	91%	0.911	77%	0.769	S	S	*	*				73.1	138.1	73.3	-81.6	-147.2	-4.7	0	0	117.4
116	P	32.2	Very low	28.8	Very low	115 Å²	115	146.6 Å²	146.6	75%	0.747	76%	0.76	S	S	*	*			trans	-110.2	165	-162.5	38.5	-23.5	0	0	0	113.8
117	S	31.4	Very low	28.5	Very low	110 Å²	110	146.8 Å²	146.8	77%	0.769	76%	0.761	S	S	*	*			trans	-156.9	108.6	163.8	46.7	0	0	0	0	114.5
118	T	26.6	Very low	28.2	Very low	119 Å²	119	143.7 Å²	143.7	73%	0.73	76%	0.756	S	S	*	*				36.5	145.7	126.6	62.5	0	0	0	0	124.1
119	N	27.3	Very low	28.3	Very low	142 Å²	142	142.1 Å²	142.1	76%	0.759	76%	0.76	S	S	*	*			trans	84.9	145.1	150.6	-67.1	-24.7	0	0	0	116.3
120	R	24.9	Very low	28.1	Very low	213 Å²	213	143.6 Å²	143.6	80%	0.804	76%	0.764	S	S	*	*			cis	175.4	159.4	-9.7	-169.5	-169.2	-104	-150.3	-3.4	102.5
121	I	26.3	Very low	28.1	Very low	145 Å²	145	147 Å²	147	74%	0.744	77%	0.773	S	S	*	*			trans	101.9	113.8	158.8	-51.1	158.5	0	0	0	117.1
122	S	24	Very low	27.9	Very low	106 Å²	106	146.7 Å²	146.7	74%	0.741	77%	0.771	S	S	*	*			trans	25.1	147	134.3	-43.3	0	0	0	0	122.5
123	S	25.2	Very low	27.6	Very low	102 Å²	102	143.8 Å²	143.8	71%	0.713	77%	0.765	S	S	*	*			trans	96	128.8	148.2	78.7	0	0	0	0	117.8
124	T	24.6	Very low	27.8	Very low	111 Å²	111	142.2 Å²	142.2	68%	0.681	77%	0.768	S	S	*	*			trans	62.7	103.1	148.1	-27.7	0	0	0	0	117.1
125	F	28.5	Very low	27.5	Very low	194 Å²	194	145.6 Å²	145.6	85%	0.851	77%	0.772	S	S	*	*			trans	-102.2	82	165.1	-93.6	-84.4	0	0	0	111
126	T	23.2	Very low	27.3	Very low	101 Å²	101	142.5 Å²	142.5	62%	0.62	77%	0.77	S	S	*	*			trans	-95.7	130	135.7	46	0	0	0	0	106
127	N	28.9	Very low	26.9	Very low	132 Å²	132	142.9 Å²	142.9	71%	0.706	77%	0.771	S	S	*	*			trans	-153.5	103.3	163.1	-102.1	-13.8	0	0	0	112.5
128	T	23.7	Very low	26.7	Very low	105 Å²	105	145.5 Å²	145.5	64%	0.644	78%	0.775	S	S	*	*			trans	-106.1	127	146.8	30.7	0	0	0	0	106.9	Q534	T128-Q534 PolarHBondContact OG1-NE2 2.94Å
129	T	31.4	Very low	26.7	Very low	131 Å²	131	144.5 Å²	144.5	80%	0.804	77%	0.773	S	S	*	*			trans	-148.1	123.1	156.5	44.2	0	0	0	0	112
130	N	25.7	Very low	26.7	Very low	152 Å²	152	144 Å²	144	81%	0.813	78%	0.778	S	S	*	*			trans	-52.8	151.7	167.9	-83.3	-40.3	0	0	0	114.7
131	I	33.3	Very low	26.9	Very low	171 Å²	171	138.7 Å²	138.7	88%	0.877	77%	0.773	S	S	*	*			trans	-127.9	119.8	144.9	-62.3	-179	0	0	0	109.3
132	R	26.1	Very low	27.1	Very low	229 Å²	229	139.8 Å²	139.8	86%	0.864	78%	0.775	S	S	*	*			trans	-68.1	135	174.5	-168.8	-179.6	-174.9	165.8	1.3	109.9
133	S	27.3	Very low	27.2	Very low	99 Å²	99	141.7 Å²	141.7	69%	0.692	78%	0.775	S	S	*	*				140.4	135.1	111.3	60.6	0	0	0	0	105.3
134	E	31.4	Very low	27.4	Very low	191 Å²	191	143.6 Å²	143.6	89%	0.893	78%	0.778	S	S	*	*				-164	163.9	51.1	-75.1	-176.2	151.3	0	0	110.5
135	K	25.4	Very low	27.6	Very low	194 Å²	194	143.1 Å²	143.1	84%	0.843	78%	0.778	S	S	*	*			trans	-94	121.8	-173.5	-175.6	-177.3	-170.8	-179.9	0	109.3
136	C	25.8	Very low	27.9	Very low	131 Å²	131	141.3 Å²	141.3	89%	0.885	78%	0.778	S	S	*	*			trans	-147.7	102.9	158.9	-96.6	0	0	0	0	110.9
137	T	24.1	Very low	28.3	Very low	122 Å²	122	143.7 Å²	143.7	75%	0.748	78%	0.782	S	S	*	*			trans	-57.9	135.8	155.3	42.8	0	0	0	0	110.4
138	L	27.8	Very low	28.4	Very low	166 Å²	166	143.2 Å²	143.2	87%	0.869	78%	0.778	S	S	*	*			trans	-179.5	117.5	139.1	-94	155.3	0	0	0	113
139	S	26.2	Very low	28.9	Very low	97 Å²	97	145.8 Å²	145.8	68%	0.678	78%	0.783	S	S	*	*			trans	48.6	127.5	149.7	56.9	0	0	0	0	122.7
140	P	27.3	Very low	29.1	Very low	133 Å²	133	143.3 Å²	143.3	86%	0.864	77%	0.771	S	S	*	*			trans	-89.9	121.1	169	33.8	-26.3	0	0	0	111.2
141	S	28.3	Very low	29.6	Very low	100 Å²	100	141 Å²	141	70%	0.699	76%	0.759	S	S	*	*			trans	-162.4	132.7	156.1	64.6	0	0	0	0	112.5
142	Q	30.3	Very low	29.8	Very low	168 Å²	168	138.7 Å²	138.7	79%	0.785	74%	0.744	S	S	*	*			trans	91.7	96.5	157.9	-51.6	-162.4	-47.1	0	0	118.2
143	I	27.5	Very low	30.4	Very low	146 Å²	146	131.4 Å²	131.4	75%	0.749	72%	0.721	S	S	*	*				55.3	105.1	117.5	-55.1	153.3	0	0	0	115.4
144	D	28.7	Very low	30.7	Very low	143 Å²	143	132.4 Å²	132.4	77%	0.765	72%	0.715	S	S	*	*				-161.6	113.6	102.6	-144.1	-8.2	0	0	0	110.4	N146	D144-N146 PolarHBondContact O-N 2.9Å
145	S	29.3	Very low	31.1	Very low	100 Å²	100	129.3 Å²	129.3	70%	0.699	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	94	177.8	-56.4	0	0	0	0	107.6
146	N	33.9	Very low	31.7	Very low	157 Å²	157	123.5 Å²	123.5	84%	0.84	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	178.4	18.5	159.4	-88.6	-20.6	0	0	0	116	D144	D144-N146 PolarHBondContact O-N 2.9Å
147	Q	32.3	Very low	32.2	Very low	151 Å²	151	120.4 Å²	120.4	71%	0.706	66%	0.656	S	S	*	*	S	Bend	trans	-124.7	9.7	179.5	-75.7	-164.2	9.9	0	0	116
148	I	31.3	Very low	32.9	Very low	121 Å²	121	120.6 Å²	120.6	62%	0.621	65%	0.649	S	S	*	*	H	α-helix	trans	-88.8	-25.7	-170.3	-62.2	175.7	0	0	0	113	S150	I148-S150 PolarHBondContact O-N 3Å
149	E	33.8	Very low	33.5	Very low	159 Å²	159	119.2 Å²	119.2	74%	0.743	64%	0.637	S	S	*	*	H	α-helix	trans	-73.9	-25.1	-178.9	-73.8	-177.5	164.6	0	0	113.8	I153	E149-I153 WeakPolarHBondContact O-CD1 3.1Å; E149-I153 WeakPolarHBondContact O-CG1 3.46Å
150	S	36	Very low	33.9	Very low	80 Å²	80	121 Å²	121	56%	0.559	64%	0.639	S	S	*	*	H	α-helix	trans	-80.5	-29.7	-174.6	-36.5	0	0	0	0	113.7	I148 H154	I148-S150 PolarHBondContact O-N 3Å; S150-H154 PolarHBondContact O-N 2.88Å
151	N	34.8	Very low	34.2	Very low	104 Å²	104	121.9 Å²	121.9	56%	0.556	63%	0.633	S	S	*	*	H	α-helix	trans	-88.1	-34.3	-174.5	-68.4	-19.3	0	0	0	112.1	H154 E155	N151-H154 PolarHBondContact O-N 2.9Å; N151-E155 PolarHBondContact O-N 3.49Å
152	E	37.6	Very low	35.2	Very low	121 Å²	121	120.5 Å²	120.5	57%	0.565	62%	0.624	S	S	*	*	H	α-helix	trans	-67.4	-36.4	173.5	-76.1	-177.6	158.2	0	0	111.8	H154 T156	E152-H154 VanDerWaalsContact C-N 3.3Å; E152-H154 PolarHBondContact O-N 3.05Å; E152-T156 VanDerWaalsContact O-CB 3.25Å; E152-T156 WeakPolarHBondContact O-CB 3.1Å; E152-T156 PolarHBondContact O-N 3.1Å; E152-T156 PolarHBondContact O-OG1 3.39Å
153	I	38.9	Very low	36.2	Very low	76 Å²	76	116.7 Å²	116.7	39%	0.39	61%	0.609	S	S	.	*	H	α-helix	trans	-67.3	-34	174.7	-65.1	171.3	0	0	0	110.7	E149 N157	E149-I153 WeakPolarHBondContact O-CD1 3.1Å; E149-I153 WeakPolarHBondContact O-CG1 3.46Å; I153-N157 WeakPolarHBondContact CG2-ND2 3.49Å; I153-N157 VanDerWaalsContact O-CB 3.3Å; I153-N157 WeakPolarHBondContact O-CB 3.21Å; I153-N157 VanDerWaalsContact O-CG 3.26Å; I153-N157 PolarHBondContact O-N 3.29Å; I153-N157 PolarHBondContact O-ND2 3.49Å
154	H	34.3	Very low	37.7	Very low	121 Å²	121	111.6 Å²	111.6	56%	0.56	59%	0.585	S	S	*	*	H	α-helix	trans	-74.3	-37.9	179	-128.9	-25.8	0	0	0	112.7	S150 N151 E152 Q158	S150-H154 PolarHBondContact O-N 2.88Å; N151-H154 PolarHBondContact O-N 2.9Å; E152-H154 VanDerWaalsContact C-N 3.3Å; E152-H154 PolarHBondContact O-N 3.05Å; H154-Q158 WeakPolarHBondContact O-CB 3.44Å; H154-Q158 VanDerWaalsContact O-CG 3.28Å; H154-Q158 WeakPolarHBondContact O-CG 3.28Å; H154-Q158 PolarHBondContact O-N 3.36Å
155	E	40.7	Very low	39.6	Very low	126 Å²	126	109.3 Å²	109.3	59%	0.589	58%	0.576	S	S	*	*	H	α-helix	trans	-71.4	-39.5	173.8	-79.2	-175.4	153.4	0	0	112.5	N151 Q158 Q159	N151-E155 PolarHBondContact O-N 3.49Å; E155-Q158 PolarHBondContact O-N 3.21Å; E155-Q159 WeakPolarHBondContact O-CB 3.23Å; E155-Q159 PolarHBondContact O-N 3.18Å
156	T	36.7	Very low	42	Very low	71 Å²	71	104.9 Å²	104.9	44%	0.436	55%	0.545	S	S	.	.	H	α-helix	trans	-66	-41.8	177.6	-50.9	0	0	0	0	111	E152 Q159 L160	E152-T156 VanDerWaalsContact O-CB 3.25Å; E152-T156 WeakPolarHBondContact O-CB 3.1Å; E152-T156 PolarHBondContact O-N 3.1Å; E152-T156 PolarHBondContact O-OG1 3.39Å; T156-Q159 PolarHBondContact O-N 2.88Å; T156-L160 HydrophobicContact CG2-CD1 3.98Å; T156-L160 VanDerWaalsContact O-CD1 3.31Å; T156-L160 WeakPolarHBondContact O-CD1 3.16Å; T156-L160 PolarHBondContact O-N 3.01Å
157	N	35.7	Very low	44.3	Very low	66 Å²	66	101.5 Å²	101.5	35%	0.353	53%	0.527	S	S	.	.	H	α-helix	trans	-69.1	-37.2	175	-73.1	-41.6	0	0	0	112	I153 L160 M161	I153-N157 WeakPolarHBondContact CG2-ND2 3.49Å; I153-N157 VanDerWaalsContact O-CB 3.3Å; I153-N157 WeakPolarHBondContact O-CB 3.21Å; I153-N157 VanDerWaalsContact O-CG 3.26Å; I153-N157 PolarHBondContact O-N 3.29Å; I153-N157 PolarHBondContact O-ND2 3.49Å; N157-L160 PolarHBondContact O-N 3.03Å; N157-M161 WeakPolarHBondContact O-CG 3.36Å; N157-M161 PolarHBondContact O-N 3.19Å
158	Q	40.8	Very low	46.9	Very low	127 Å²	127	94.4 Å²	94.4	59%	0.593	49%	0.493	S	S	*	.	H	α-helix	trans	-67.2	-34.2	174.1	-79.4	177.2	19.6	0	0	113	H154 E155 M161	H154-Q158 WeakPolarHBondContact O-CB 3.44Å; H154-Q158 VanDerWaalsContact O-CG 3.28Å; H154-Q158 WeakPolarHBondContact O-CG 3.28Å; H154-Q158 PolarHBondContact O-N 3.36Å; E155-Q158 PolarHBondContact O-N 3.21Å; Q158-M161 PolarHBondContact O-N 3.14Å
159	Q	38.3	Very low	49.7	Very low	136 Å²	136	93.7 Å²	93.7	64%	0.636	48%	0.483	S	S	*	.	H	α-helix	trans	-69.6	-40.8	173	-81.6	175.3	-8.1	0	0	112.3	E155 T156 M161 S162	E155-Q159 WeakPolarHBondContact O-CB 3.23Å; E155-Q159 PolarHBondContact O-N 3.18Å; T156-Q159 PolarHBondContact O-N 2.88Å; Q159-M161 PolarHBondContact O-N 3.47Å; Q159-S162 PolarHBondContact O-N 3.3Å; Q159-S162 PolarHBondContact O-OG 3.37Å
160	L	35.9	Very low	52.4	Low	135 Å²	135	86.1 Å²	86.1	71%	0.707	45%	0.447	S	S	*	.	H	α-helix	trans	-64.5	-25.8	172.8	-96.4	120.2	0	0	0	113.4	T156 N157 S162	T156-L160 HydrophobicContact CG2-CD1 3.98Å; T156-L160 VanDerWaalsContact O-CD1 3.31Å; T156-L160 WeakPolarHBondContact O-CD1 3.16Å; T156-L160 PolarHBondContact O-N 3.01Å; N157-L160 PolarHBondContact O-N 3.03Å; L160-S162 VanDerWaalsContact C-N 3.35Å
161	M	34	Very low	55.2	Low	151 Å²	151	82.7 Å²	82.7	74%	0.744	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-6	177.6	-64.1	-125.8	70.5	0	0	114.3	N157 Q158 Q159	N157-M161 WeakPolarHBondContact O-CG 3.36Å; N157-M161 PolarHBondContact O-N 3.19Å; Q158-M161 PolarHBondContact O-N 3.14Å; Q159-M161 PolarHBondContact O-N 3.47Å
162	S	48.2	Very low	58	Low	72 Å²	72	77.8 Å²	77.8	50%	0.503	40%	0.397	S	S	.	.	S	Bend	trans	-101.4	-10.2	-168.4	69.2	0	0	0	0	116	Q159 L160	Q159-S162 PolarHBondContact O-N 3.3Å; Q159-S162 PolarHBondContact O-OG 3.37Å; L160-S162 VanDerWaalsContact C-N 3.35Å
163	N	51.6	Low	60.7	Low	88 Å²	88	72.1 Å²	72.1	47%	0.471	37%	0.37	S	S	.	.	S	Bend	trans	-116.1	103.2	-176.9	-73.9	-36.2	0	0	0	111.6	N18 T165	N18-N163 PolarHBondContact ND2-OD1 3.32Å; N163-T165 PolarHBondContact O-N 3.4Å
164	P	59.7	Low	63.3	Low	39 Å²	39	69.3 Å²	69.3	25%	0.253	36%	0.355	S	S	.	.			trans	-56.4	122.1	172	21.1	-35.2	0	0	0	111.3	N18 L85	N18-P164 VanDerWaalsContact ND2-CD 3.32Å; N18-P164 WeakPolarHBondContact ND2-CD 3.17Å; L85-P164 HydrophobicContact CD2-CB 3.72Å; L85-P164 HydrophobicContact CD2-CG 3.85Å
165	T	68.2	Low	66	Low	94 Å²	94	70.9 Å²	70.9	58%	0.577	36%	0.356	S	S	*	.			trans	-91.8	131.7	169.4	48.9	0	0	0	0	109.3	D17 N163	D17-T165 HydrophobicContact CB-CG2 4.21Å; N163-T165 PolarHBondContact O-N 3.4Å
166	V	80	Confident	68.3	Low	7 Å²	7	65.2 Å²	65.2	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.8	-178.7	171.4	0	0	0	0	109	V16 C84 L85 I168	V16-V166 HydrophobicContact CB-CB 4.44Å; V16-V166 PolarHBondContact N-O 3.47Å; V16-V166 PolarHBondContact O-N 3.04Å; C84-V166 HydrophobicContact CB-CB 4.27Å; C84-V166 HydrophobicContact CB-CG1 3.41Å; C84-V166 VanDerWaalsContact CB-CG1 3.41Å; C84-V166 HydrophobicContact CB-CG2 4.08Å; L85-V166 HydrophobicContact CD2-CG2 3.37Å; L85-V166 HydrophobicContact CG-CG2 3.69Å; V166-I168 HydrophobicContact CG1-CD1 4.43Å; V166-I168 HydrophobicContact CG1-CG1 3.89Å
167	L	82	Confident	70.5	Confident	87 Å²	87	68.2 Å²	68.2	46%	0.455	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.1	174.5	-172.2	149	0	0	0	110.2	E13 L14	E13-L167 HydrophobicContact CB-CD1 4.37Å; E13-L167 HydrophobicContact CB-CD2 4.07Å; E13-L167 HydrophobicContact CB-CG 4.24Å; E13-L167 HydrophobicContact CG-CD2 4.15Å; L14-L167 WeakPolarHBondContact O-CA 3.42Å
168	I	87.6	Confident	72.7	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.005	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	110.7	179.5	-52.1	175.6	0	0	0	109.1	E13 L14 V16 L22 I60 L77 T80 I81 V166 M170	E13-I168 WeakPolarHBondContact CA-O 3.15Å; L14-I168 PolarHBondContact N-O 3.06Å; L14-I168 PolarHBondContact O-N 3.33Å; V16-I168 HydrophobicContact CG2-CD1 3.92Å; L22-I168 HydrophobicContact CD1-CD1 3.76Å; I60-I168 HydrophobicContact CG2-CG2 4.33Å; L77-I168 HydrophobicContact CD2-CG2 4.28Å; T80-I168 HydrophobicContact CG2-CG2 4.31Å; I81-I168 HydrophobicContact CD1-CD1 3.91Å; I81-I168 HydrophobicContact CG1-CD1 3.44Å; I81-I168 VanDerWaalsContact CG1-CD1 3.44Å; I81-I168 HydrophobicContact CG1-CG1 4.38Å; V166-I168 HydrophobicContact CG1-CD1 4.43Å; V166-I168 HydrophobicContact CG1-CG1 3.89Å; I168-M170 HydrophobicContact CG2-CG 4.18Å
169	R	88.7	Confident	74.7	Confident	106 Å²	106	65.7 Å²	65.7	40%	0.4	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	131.8	170.8	-173.9	179.2	-69.6	-179.9	-2.3	110.7	V11 I12 E13 R61	V11-R169 HydrophobicContact CG1-CG 3.76Å; I12-R169 CarbonylContact O-C 3.55Å; I12-R169 VanDerWaalsContact O-CA 3.32Å; I12-R169 WeakPolarHBondContact O-CA 3.46Å; E13-R169 HydrophobicContact CG-CB 4.31Å; E13-R169 HydrophobicContact CG-CG 4.26Å; E13-R169 IonicContact OE1-CZ 3.72Å; E13-R169 VanDerWaalsContact OE1-CZ 3.27Å; E13-R169 IonicContact OE1-NE 3.38Å; E13-R169 PolarHBondContact OE1-NE 3.37Å; E13-R169 IonicContact OE1-NH2 3.57Å; E13-R169 PolarHBondContact OE1-NH2 3.37Å; R61-R169 PolarHBondContact N-O 3.01Å
170	M	92.1	Very high	76.8	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145.7	174.7	-65.1	179.2	61.7	0	0	109.8	V11 I12 L14 F24 I57 C59 I168	V11-M170 WeakPolarHBondContact CA-O 3.35Å; I12-M170 PolarHBondContact N-O 2.83Å; I12-M170 PolarHBondContact O-N 2.9Å; L14-M170 HydrophobicContact CD1-SD 3.87Å; F24-M170 HydrophobicContact CE1-CE 4.19Å; F24-M170 HydrophobicContact CE1-SD 4.06Å; F24-M170 HydrophobicContact CE2-CE 4.48Å; F24-M170 HydrophobicContact CZ-CE 3.68Å; F24-M170 HydrophobicContact CZ-SD 4.02Å; I57-M170 HydrophobicContact CB-CE 4.42Å; I57-M170 HydrophobicContact CD1-CE 3.73Å; I57-M170 HydrophobicContact CG1-CE 3.89Å; I57-M170 HydrophobicContact CG2-CE 3.66Å; C59-M170 WeakPolarHBondContact O-CA 3.13Å; I168-M170 HydrophobicContact CG2-CG 4.18Å
171	I	93.5	Very high	78.9	Confident	9 Å²	9	60.3 Å²	60.3	5%	0.046	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.4	169.2	-54.8	171	0	0	0	107.1	I9 V11 V58 C59 L218	I9-I171 HydrophobicContact CG2-CG2 3.59Å; V11-I171 HydrophobicContact CG2-CG1 4.38Å; V58-I171 PolarHBondContact N-O 3.11Å; C59-I171 HydrophobicContact CB-CB 3.75Å; C59-I171 HydrophobicContact CB-CD1 3.7Å; C59-I171 HydrophobicContact CB-CG1 3.89Å; C59-I171 PolarHBondContact N-O 3.43Å; C59-I171 PolarHBondContact O-N 2.85Å; I171-L218 HydrophobicContact CD1-CB 4.13Å; I171-L218 HydrophobicContact CD1-CD1 3.85Å; I171-L218 HydrophobicContact CG2-CD1 4.32Å
172	V	94.5	Very high	81.3	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.006	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	149.7	177.8	-60.3	0	0	0	0	111.1	I9 E10 I12 L51 D55 H56	I9-V172 WeakPolarHBondContact CA-O 3.14Å; E10-V172 HydrophobicContact CB-CG2 3.96Å; E10-V172 PolarHBondContact N-O 3.31Å; E10-V172 PolarHBondContact O-N 2.91Å; I12-V172 HydrophobicContact CD1-CB 4.47Å; I12-V172 HydrophobicContact CD1-CG1 4.08Å; I12-V172 HydrophobicContact CD1-CG2 3.54Å; I12-V172 HydrophobicContact CG1-CG2 4.21Å; L51-V172 HydrophobicContact CD1-CG1 3.74Å; D55-V172 HydrophobicContact CB-CB 4.21Å; D55-V172 HydrophobicContact CB-CG1 4.46Å; H56-V172 CarbonylContact O-C 3.54Å; H56-V172 VanDerWaalsContact O-CA 3.27Å; H56-V172 WeakPolarHBondContact O-CA 3.36Å
173	A	94.4	Very high	83.1	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.008	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.3	175.9	0	0	0	0	0	110.1	L2 T7 E8 H56 V58 L211	L2-A173 HydrophobicContact CD1-CB 3.88Å; T7-A173 HydrophobicContact CG2-CB 3.75Å; E8-A173 WeakPolarHBondContact O-CA 3.47Å; H56-A173 WeakPolarHBondContact CB-O 3.44Å; H56-A173 PolarHBondContact N-O 3.24Å; H56-A173 PolarHBondContact O-N 3.46Å; V58-A173 HydrophobicContact CG2-CB 3.65Å; A173-L211 HydrophobicContact CB-CD1 4.44Å; A173-L211 HydrophobicContact CB-CD2 4.4Å
174	R	93.1	Very high	84.7	Confident	18 Å²	18	52 Å²	52	7%	0.068	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	167.1	176.5	65.8	-176.9	71.6	125	-4.1	110.9	T7 E8 E10 R50 R52 D55 A176	T7-R174 WeakPolarHBondContact CA-O 3Å; E8-R174 HydrophobicContact CB-CG 3.87Å; E8-R174 HydrophobicContact CG-CG 4.22Å; E8-R174 PolarHBondContact N-O 3.31Å; E8-R174 PolarHBondContact O-N 3.5Å; E8-R174 WeakPolarHBondContact OE1-CD 3.1Å; E8-R174 IonicContact OE1-CZ 3.57Å; E8-R174 IonicContact OE1-NE 3.66Å; E8-R174 IonicContact OE1-NH1 2.83Å; E8-R174 PolarHBondContact OE1-NH1 3.13Å; E10-R174 IonicContact OE2-CZ 2.72Å; E10-R174 IonicContact OE2-NH1 2.98Å; E10-R174 PolarHBondContact OE2-NH1 2.9Å; E10-R174 IonicContact OE2-NH2 3.8Å; E10-R174 PolarHBondContact OE2-NH2 3.06Å; R50-R174 PolarHBondContact O-NH2 3.08Å; R52-R174 VanDerWaalsContact NH1-NH1 3.11Å; D55-R174 IonicContact OD1-CZ 2.84Å; D55-R174 IonicContact OD1-NE 2.74Å; D55-R174 PolarHBondContact OD1-NE 3.22Å; D55-R174 IonicContact OD1-NH2 2.7Å; D55-R174 PolarHBondContact OD1-NH2 3.23Å; D55-R174 IonicContact OD2-CZ 3.42Å; D55-R174 IonicContact OD2-NE 3.23Å; D55-R174 IonicContact OD2-NH2 3.8Å; D55-R174 PolarHBondContact OD2-NH2 2.75Å; R174-A176 PolarHBondContact O-N 3.47Å
175	R	90.5	Very high	85.6	Confident	154 Å²	154	53.9 Å²	53.9	58%	0.581	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	126.4	174.1	174	169.3	-171.9	179	-0.5	109.6	T4	T4-R175 HydrophobicContact CG2-CB 3.8Å; T4-R175 VanDerWaalsContact CG2-CD 3.47Å; T4-R175 HydrophobicContact CG2-CG 3.48Å; T4-R175 VanDerWaalsContact CG2-CG 3.48Å
176	A	89.2	Confident	86.3	Confident	7 Å²	7	52.6 Å²	52.6	6%	0.058	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-75.4	128	165.7	0	0	0	0	0	109.3	W6 E8 R174 L183 I205	W6-A176 HydrophobicContact CB-CB 3.84Å; W6-A176 PolarHBondContact O-N 3.47Å; W6-A176 VanDerWaalsContact O-N 3.17Å; E8-A176 HydrophobicContact CB-CB 4.29Å; R174-A176 PolarHBondContact O-N 3.47Å; A176-L183 HydrophobicContact CB-CD1 4.15Å; A176-L183 HydrophobicContact CB-CD2 4.24Å; A176-I205 HydrophobicContact CB-CG2 4.24Å
177	N	82.9	Confident	86.6	Confident	133 Å²	133	52.5 Å²	52.5	71%	0.711	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-99	124.4	176.6	-69.3	-32.3	0	0	0	109.4
178	G	81.8	Confident	86.7	Confident	54 Å²	54	51.9 Å²	51.9	56%	0.557	28%	0.28	S	S	*	.	S	Bend	trans	160.9	172.7	178.9	0	0	0	0	0	112.6
179	N	82.1	Confident	86.4	Confident	86 Å²	86	58 Å²	58	46%	0.46	31%	0.306	S	S	.	.			trans	-67	130.4	169.1	-177.8	-19.8	0	0	0	108.7	V181 D182 L183	N179-V181 PolarHBondContact O-N 3.17Å; N179-V181 VanDerWaalsContact O-N 3.09Å; N179-V181 PolarHBondContact OD1-N 2.73Å; N179-D182 HydrophobicContact CB-CB 4.31Å; N179-D182 WeakPolarHBondContact CB-OD2 3.49Å; N179-D182 PolarHBondContact O-N 3.46Å; N179-L183 WeakPolarHBondContact O-CG 3.49Å; N179-L183 PolarHBondContact O-N 2.98Å
180	P	82.2	Confident	86.2	Confident	70 Å²	70	54 Å²	54	46%	0.455	29%	0.292	S	S	.	.	H	α-helix	trans	-50.8	-32.1	176.9	-30.2	35.9	0	0	0	115	S184	P180-S184 WeakPolarHBondContact O-CB 3.45Å; P180-S184 PolarHBondContact O-N 3.41Å
181	V	81.6	Confident	85.7	Confident	89 Å²	89	56 Å²	56	54%	0.539	30%	0.301	S	S	.	.	H	α-helix	trans	-67.4	-50.5	176.6	-178.9	0	0	0	0	110.6	N179 L183 S184 D185	N179-V181 PolarHBondContact O-N 3.17Å; N179-V181 VanDerWaalsContact O-N 3.09Å; N179-V181 PolarHBondContact OD1-N 2.73Å; V181-L183 VanDerWaalsContact C-N 3.32Å; V181-L183 PolarHBondContact O-N 3.23Å; V181-S184 WeakPolarHBondContact O-CB 3.45Å; V181-S184 PolarHBondContact O-N 3.45Å; V181-D185 PolarHBondContact O-N 3.18Å
182	D	83.1	Confident	84.9	Confident	88 Å²	88	58.1 Å²	58.1	47%	0.471	32%	0.32	S	S	.	.	H	α-helix	trans	-61.9	-41.5	178.4	-59.1	-24.1	0	0	0	111.4	N179 S184 D185 I186	N179-D182 HydrophobicContact CB-CB 4.31Å; N179-D182 WeakPolarHBondContact CB-OD2 3.49Å; N179-D182 PolarHBondContact O-N 3.46Å; D182-S184 VanDerWaalsContact C-N 3.32Å; D182-S184 PolarHBondContact O-N 3.07Å; D182-D185 PolarHBondContact O-N 2.97Å; D182-I186 WeakPolarHBondContact O-CB 3.21Å; D182-I186 WeakPolarHBondContact O-CD1 3.43Å; D182-I186 WeakPolarHBondContact O-CG1 3.3Å; D182-I186 PolarHBondContact O-N 3.44Å
183	L	87	Confident	84	Confident	7 Å²	7	58.6 Å²	58.6	4%	0.037	32%	0.323	C	S	.	.	H	α-helix	trans	-64.5	-37.4	177.4	-65.6	175.6	0	0	0	111.9	W6 A176 N179 V181 I186 S187 I205	W6-L183 HydrophobicContact CB-CD1 3.8Å; W6-L183 HydrophobicContact CD2-CB 3.82Å; W6-L183 HydrophobicContact CD2-CD1 4.33Å; W6-L183 HydrophobicContact CE3-CB 4.05Å; W6-L183 HydrophobicContact CG-CB 4.12Å; W6-L183 HydrophobicContact CG-CD1 3.72Å; A176-L183 HydrophobicContact CB-CD1 4.15Å; A176-L183 HydrophobicContact CB-CD2 4.24Å; N179-L183 WeakPolarHBondContact O-CG 3.49Å; N179-L183 PolarHBondContact O-N 2.98Å; V181-L183 VanDerWaalsContact C-N 3.32Å; V181-L183 PolarHBondContact O-N 3.23Å; L183-I186 PolarHBondContact O-N 3.09Å; L183-S187 VanDerWaalsContact O-CB 3.31Å; L183-S187 WeakPolarHBondContact O-CB 3.34Å; L183-S187 PolarHBondContact O-N 2.96Å; L183-I205 HydrophobicContact CB-CG2 4.31Å; L183-I205 HydrophobicContact CD2-CD1 3.88Å; L183-I205 HydrophobicContact CD2-CG2 4.08Å
184	S	84.4	Confident	83.3	Confident	42 Å²	42	59.4 Å²	59.4	29%	0.294	33%	0.329	S	S	.	.	H	α-helix	trans	-63.2	-46.6	173	-177.3	0	0	0	0	111.7	P180 V181 D182 I186 S187 L188	P180-S184 WeakPolarHBondContact O-CB 3.45Å; P180-S184 PolarHBondContact O-N 3.41Å; V181-S184 WeakPolarHBondContact O-CB 3.45Å; V181-S184 PolarHBondContact O-N 3.45Å; D182-S184 VanDerWaalsContact C-N 3.32Å; D182-S184 PolarHBondContact O-N 3.07Å; S184-I186 VanDerWaalsContact C-N 3.35Å; S184-I186 PolarHBondContact O-N 2.74Å; S184-S187 PolarHBondContact O-N 2.63Å; S184-L188 WeakPolarHBondContact O-CB 3.34Å; S184-L188 WeakPolarHBondContact O-CG 3.32Å; S184-L188 PolarHBondContact O-N 2.72Å
185	D	80	Confident	82.7	Confident	78 Å²	78	66.7 Å²	66.7	42%	0.417	36%	0.356	S	S	.	.	H	α-helix	trans	-63.8	-40.9	178	-73.6	-12.7	0	0	0	111.9	V181 D182 K189	V181-D185 PolarHBondContact O-N 3.18Å; D182-D185 PolarHBondContact O-N 2.97Å; D185-K189 WeakPolarHBondContact O-CB 3.47Å; D185-K189 VanDerWaalsContact O-CG 3.24Å; D185-K189 WeakPolarHBondContact O-CG 3.46Å; D185-K189 PolarHBondContact O-N 2.65Å
186	I	82.4	Confident	82.1	Confident	66 Å²	66	66 Å²	66	34%	0.338	36%	0.359	S	S	.	.	H	α-helix	trans	-62.2	-48.6	174.2	-67.2	161.7	0	0	0	110.1	D182 L183 S184 L188 K189 Q190 I205	D182-I186 WeakPolarHBondContact O-CB 3.21Å; D182-I186 WeakPolarHBondContact O-CD1 3.43Å; D182-I186 WeakPolarHBondContact O-CG1 3.3Å; D182-I186 PolarHBondContact O-N 3.44Å; L183-I186 PolarHBondContact O-N 3.09Å; S184-I186 VanDerWaalsContact C-N 3.35Å; S184-I186 PolarHBondContact O-N 2.74Å; I186-L188 VanDerWaalsContact C-N 3.35Å; I186-L188 PolarHBondContact O-N 3.22Å; I186-K189 PolarHBondContact O-N 2.79Å; I186-Q190 HydrophobicContact CG2-CG 4.23Å; I186-Q190 WeakPolarHBondContact O-CG 3.4Å; I186-Q190 PolarHBondContact O-N 3.48Å; I186-I205 HydrophobicContact CG2-CD1 3.92Å; I186-I205 HydrophobicContact CG2-CG1 4.49Å
187	S	85.2	Confident	81.6	Confident	5 Å²	5	69.2 Å²	69.2	4%	0.035	37%	0.373	C	S	.	.	H	α-helix	trans	-59.4	-44.4	-179.8	-167.8	0	0	0	0	111.8	L183 S184 Q190 Q191 I205	L183-S187 VanDerWaalsContact O-CB 3.31Å; L183-S187 WeakPolarHBondContact O-CB 3.34Å; L183-S187 PolarHBondContact O-N 2.96Å; S184-S187 PolarHBondContact O-N 2.63Å; S187-Q190 PolarHBondContact O-N 2.86Å; S187-Q191 WeakPolarHBondContact O-CB 3.3Å; S187-Q191 VanDerWaalsContact O-CG 3.27Å; S187-Q191 WeakPolarHBondContact O-CG 3.47Å; S187-Q191 PolarHBondContact O-N 3.19Å; S187-I205 WeakPolarHBondContact CB-O 3.03Å; S187-I205 PolarHBondContact OG-O 2.93Å
188	L	84.7	Confident	81.5	Confident	75 Å²	75	64.5 Å²	64.5	39%	0.393	36%	0.356	S	S	.	.	H	α-helix	trans	-63.1	-43.2	176.4	-73.7	171.6	0	0	0	112.2	S184 I186 Q191 A192	S184-L188 WeakPolarHBondContact O-CB 3.34Å; S184-L188 WeakPolarHBondContact O-CG 3.32Å; S184-L188 PolarHBondContact O-N 2.72Å; I186-L188 VanDerWaalsContact C-N 3.35Å; I186-L188 PolarHBondContact O-N 3.22Å; L188-Q191 PolarHBondContact O-N 3.32Å; L188-A192 WeakPolarHBondContact O-CB 3.47Å; L188-A192 PolarHBondContact O-N 3.44Å
189	K	81.4	Confident	81.6	Confident	129 Å²	129	62.7 Å²	62.7	56%	0.561	33%	0.334	S	S	*	.	H	α-helix	trans	-63	-43.6	175.9	-74.1	171.2	-176.3	173.1	0	111.6	D185 I186 A192 V193 Y232	D185-K189 WeakPolarHBondContact O-CB 3.47Å; D185-K189 VanDerWaalsContact O-CG 3.24Å; D185-K189 WeakPolarHBondContact O-CG 3.46Å; D185-K189 PolarHBondContact O-N 2.65Å; I186-K189 PolarHBondContact O-N 2.79Å; K189-A192 PolarHBondContact O-N 3.29Å; K189-V193 WeakPolarHBondContact O-CG2 3.34Å; K189-V193 PolarHBondContact O-N 3.22Å; K189-V193 VanDerWaalsContact O-N 3.11Å; K189-Y232 VanDerWaalsContact C-OH 3.22Å; K189-Y232 PolarHBondContact O-OH 3.35Å
190	Q	83.6	Confident	81.5	Confident	23 Å²	23	59.1 Å²	59.1	11%	0.107	32%	0.315	C	S	.	.	H	α-helix	trans	-62.6	-46.3	176.9	-72.2	178.9	-24.2	0	0	110.9	I186 S187 A192 V193 C194 L228 Y232	I186-Q190 HydrophobicContact CG2-CG 4.23Å; I186-Q190 WeakPolarHBondContact O-CG 3.4Å; I186-Q190 PolarHBondContact O-N 3.48Å; S187-Q190 PolarHBondContact O-N 2.86Å; Q190-A192 VanDerWaalsContact C-N 3.32Å; Q190-A192 PolarHBondContact O-N 3.45Å; Q190-V193 PolarHBondContact O-N 2.96Å; Q190-C194 WeakPolarHBondContact O-CB 3.4Å; Q190-C194 PolarHBondContact O-N 2.98Å; Q190-C194 PolarHBondContact O-SG 2.74Å; Q190-C194 VanDerWaalsContact O-SG 3.35Å; Q190-L228 HydrophobicContact CB-CD1 3.88Å; Q190-L228 HydrophobicContact CG-CD1 3.75Å; Q190-Y232 PolarHBondContact N-OH 3.4Å
191	Q	82.1	Confident	81.4	Confident	40 Å²	40	55.9 Å²	55.9	19%	0.187	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-39.6	176.8	-73.1	180	23.2	0	0	112.6	S187 L188 R195	S187-Q191 WeakPolarHBondContact O-CB 3.3Å; S187-Q191 VanDerWaalsContact O-CG 3.27Å; S187-Q191 WeakPolarHBondContact O-CG 3.47Å; S187-Q191 PolarHBondContact O-N 3.19Å; L188-Q191 PolarHBondContact O-N 3.32Å; Q191-R195 WeakPolarHBondContact O-CB 3.43Å; Q191-R195 VanDerWaalsContact O-CG 3.22Å; Q191-R195 WeakPolarHBondContact O-CG 3.44Å; Q191-R195 PolarHBondContact O-N 2.77Å
192	A	77.5	Confident	81.5	Confident	54 Å²	54	54.4 Å²	54.4	45%	0.446	28%	0.282	S	S	.	.	H	α-helix	trans	-62.4	-47	177	0	0	0	0	0	111.5	L188 K189 Q190 R195 Q196	L188-A192 WeakPolarHBondContact O-CB 3.47Å; L188-A192 PolarHBondContact O-N 3.44Å; K189-A192 PolarHBondContact O-N 3.29Å; Q190-A192 VanDerWaalsContact C-N 3.32Å; Q190-A192 PolarHBondContact O-N 3.45Å; A192-R195 PolarHBondContact O-N 3.07Å; A192-Q196 WeakPolarHBondContact O-CB 3.02Å; A192-Q196 PolarHBondContact O-N 3.09Å
193	V	74.9	Confident	81.6	Confident	11 Å²	11	53.3 Å²	53.3	7%	0.067	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-47	177.6	174	0	0	0	0	111.2	K189 Q190 R195 Q196 H197 L228 L231 Y232	K189-V193 WeakPolarHBondContact O-CG2 3.34Å; K189-V193 PolarHBondContact O-N 3.22Å; K189-V193 VanDerWaalsContact O-N 3.11Å; Q190-V193 PolarHBondContact O-N 2.96Å; V193-R195 VanDerWaalsContact C-N 3.3Å; V193-R195 PolarHBondContact O-N 3.36Å; V193-Q196 PolarHBondContact O-N 3.19Å; V193-H197 PolarHBondContact O-CD2 3.07Å; V193-H197 PolarHBondContact O-N 3.15Å; V193-L228 HydrophobicContact CG1-CD2 3.95Å; V193-L231 HydrophobicContact CG1-CD2 3.41Å; V193-L231 VanDerWaalsContact CG1-CD2 3.41Å; V193-L231 HydrophobicContact CG1-CG 4.11Å; V193-Y232 HydrophobicContact CG2-CD1 4.45Å; V193-Y232 HydrophobicContact CG2-CE1 3.66Å
194	C	80.2	Confident	81.7	Confident	18 Å²	18	53.2 Å²	53.2	12%	0.122	28%	0.276	C	S	.	.	H	α-helix	trans	-56	-43.6	175.6	-76.6	0	0	0	0	112.2	Q190 G198 V199	Q190-C194 WeakPolarHBondContact O-CB 3.4Å; Q190-C194 PolarHBondContact O-N 2.98Å; Q190-C194 PolarHBondContact O-SG 2.74Å; Q190-C194 VanDerWaalsContact O-SG 3.35Å; C194-G198 WeakPolarHBondContact O-CA 3.41Å; C194-G198 PolarHBondContact O-N 3.18Å; C194-V199 CarbonylContact C-O 3.47Å; C194-V199 VanDerWaalsContact CA-O 3.24Å; C194-V199 WeakPolarHBondContact CA-O 3.46Å; C194-V199 WeakPolarHBondContact CB-O 3.47Å; C194-V199 PolarHBondContact O-N 3.3Å; C194-V199 PolarHBondContact SG-O 3.17Å; C194-V199 VanDerWaalsContact SG-O 3.39Å
195	R	79.6	Confident	81.9	Confident	172 Å²	172	52.3 Å²	52.3	65%	0.649	27%	0.268	S	S	*	.	H	α-helix	trans	-67	-43.9	176.4	-74.6	174.4	-172.8	160.4	7.8	112.4	Q191 A192 V193 H197	Q191-R195 WeakPolarHBondContact O-CB 3.43Å; Q191-R195 VanDerWaalsContact O-CG 3.22Å; Q191-R195 WeakPolarHBondContact O-CG 3.44Å; Q191-R195 PolarHBondContact O-N 2.77Å; A192-R195 PolarHBondContact O-N 3.07Å; V193-R195 VanDerWaalsContact C-N 3.3Å; V193-R195 PolarHBondContact O-N 3.36Å; R195-H197 VanDerWaalsContact C-N 3.35Å; R195-H197 PolarHBondContact O-N 3Å
196	Q	78.3	Confident	82.5	Confident	138 Å²	138	48.8 Å²	48.8	65%	0.645	25%	0.249	S	C	*	.	H	α-helix	trans	-62.4	-41.3	-177.9	177.3	176.8	-30.6	0	0	112.1	A192 V193	A192-Q196 WeakPolarHBondContact O-CB 3.02Å; A192-Q196 PolarHBondContact O-N 3.09Å; V193-Q196 PolarHBondContact O-N 3.19Å
197	H	78	Confident	82.9	Confident	76 Å²	76	46.3 Å²	46.3	35%	0.352	24%	0.237	S	C	.	.	H	α-helix	trans	-97.5	-5.9	-176.5	-68.2	-89.7	0	0	0	113.9	V193 R195 V199 L231 D235	V193-H197 PolarHBondContact O-CD2 3.07Å; V193-H197 PolarHBondContact O-N 3.15Å; R195-H197 VanDerWaalsContact C-N 3.35Å; R195-H197 PolarHBondContact O-N 3Å; H197-V199 VanDerWaalsContact C-N 3.31Å; H197-V199 HydrophobicContact CB-CB 4.46Å; H197-V199 HydrophobicContact CB-CG1 3.95Å; H197-V199 HydrophobicContact CB-CG2 3.8Å; H197-L231 HydrophobicContact CB-CD2 4.24Å; H197-D235 IonicContact NE2-OD2 3.78Å
198	G	81.5	Confident	83.2	Confident	34 Å²	34	47.3 Å²	47.3	35%	0.351	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	40.7	-174.8	0	0	0	0	0	111.9	C194 L223 P224	C194-G198 WeakPolarHBondContact O-CA 3.41Å; C194-G198 PolarHBondContact O-N 3.18Å; G198-L223 WeakPolarHBondContact O-CD2 3.31Å; G198-P224 WeakPolarHBondContact O-CD 3.19Å
199	V	83.4	Confident	83.3	Confident	15 Å²	15	51.7 Å²	51.7	9%	0.091	26%	0.255	C	S	.	.			trans	-126.2	161.7	-175.4	-61.5	0	0	0	0	110	C194 H197 P224 V226 L231	C194-V199 CarbonylContact C-O 3.47Å; C194-V199 VanDerWaalsContact CA-O 3.24Å; C194-V199 WeakPolarHBondContact CA-O 3.46Å; C194-V199 WeakPolarHBondContact CB-O 3.47Å; C194-V199 PolarHBondContact O-N 3.3Å; C194-V199 PolarHBondContact SG-O 3.17Å; C194-V199 VanDerWaalsContact SG-O 3.39Å; H197-V199 VanDerWaalsContact C-N 3.31Å; H197-V199 HydrophobicContact CB-CB 4.46Å; H197-V199 HydrophobicContact CB-CG1 3.95Å; H197-V199 HydrophobicContact CB-CG2 3.8Å; V199-P224 WeakPolarHBondContact CA-O 3.49Å; V199-P224 HydrophobicContact CB-CG 4.42Å; V199-P224 HydrophobicContact CG1-CG 3.82Å; V199-V226 HydrophobicContact CB-CG2 3.67Å; V199-V226 HydrophobicContact CG1-CG2 3.61Å; V199-V226 HydrophobicContact CG2-CG2 4.24Å; V199-L231 HydrophobicContact CG2-CD2 4.22Å
200	L	81.3	Confident	83.7	Confident	12 Å²	12	46.4 Å²	46.4	6%	0.063	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145.6	167.5	-71.6	170.8	0	0	0	109.7	Y214 V217 L218 L223 P224 L225 V226	L200-Y214 HydrophobicContact CD2-CE2 4.42Å; L200-V217 HydrophobicContact CD1-CG1 3.95Å; L200-V217 HydrophobicContact CD2-CG1 4.1Å; L200-L218 HydrophobicContact CB-CD2 4.32Å; L200-L218 HydrophobicContact CD1-CD2 3.74Å; L200-L218 HydrophobicContact CD1-CG 4.38Å; L200-L223 HydrophobicContact CD1-CB 3.94Å; L200-L223 HydrophobicContact CD1-CD1 4.1Å; L200-L223 HydrophobicContact CD2-CD1 4.29Å; L200-L223 HydrophobicContact CG-CB 3.92Å; L200-L223 HydrophobicContact CG-CD1 3.89Å; L200-P224 PolarHBondContact N-O 2.98Å; L200-L225 HydrophobicContact CB-CD2 3.74Å; L200-L225 CarbonylContact O-C 3.48Å; L200-L225 WeakPolarHBondContact O-CA 3.38Å; L200-V226 PolarHBondContact O-N 2.83Å
201	G	78.2	Confident	84	Confident	2 Å²	2	45.7 Å²	45.7	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	137.7	174.5	0	0	0	0	0	111.5	L203 V226	G201-L203 PolarHBondContact O-N 3.31Å; G201-V226 CarbonylContact C-O 3.56Å; G201-V226 WeakPolarHBondContact CA-O 3.27Å
202	M	83.7	Confident	84.2	Confident	57 Å²	57	47.4 Å²	47.4	28%	0.281	24%	0.24	S	C	.	.	S	Bend	trans	-63.3	-30	165.9	-66.1	-135.8	-60.8	0	0	111.7	E10 V11 L225 V226	E10-M202 CarbonylContact C-O 3.55Å; E10-M202 VanDerWaalsContact CA-O 3.31Å; E10-M202 WeakPolarHBondContact CA-O 3.27Å; V11-M202 PolarHBondContact N-O 3.37Å; M202-L225 HydrophobicContact CG-CB 4.12Å; M202-V226 PolarHBondContact N-O 2.82Å
203	L	86.5	Confident	84.6	Confident	66 Å²	66	47.7 Å²	47.7	35%	0.346	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.7	172.1	-175.7	76.5	0	0	0	108.7	E8 I9 E10 G201	E8-L203 HydrophobicContact CG-CD1 3.69Å; I9-L203 CarbonylContact O-C 3.58Å; I9-L203 WeakPolarHBondContact O-CA 3.18Å; E10-L203 HydrophobicContact CB-CD1 3.85Å; E10-L203 HydrophobicContact CG-CD1 3.9Å; G201-L203 PolarHBondContact O-N 3.31Å
204	A	88.3	Confident	85.2	Confident	4 Å²	4	49 Å²	49	3%	0.033	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	140.9	179	0	0	0	0	0	111.7	E8 I9 Y214	E8-A204 WeakPolarHBondContact CA-O 3.29Å; I9-A204 PolarHBondContact N-O 2.81Å; I9-A204 PolarHBondContact O-N 3.22Å; A204-Y214 HydrophobicContact CB-CE1 4.13Å; A204-Y214 HydrophobicContact CB-CE2 4.43Å; A204-Y214 VanDerWaalsContact CB-OH 3.28Å; A204-Y214 WeakPolarHBondContact CB-OH 3.41Å
205	I	89.9	Confident	85.5	Confident	23 Å²	23	48.1 Å²	48.1	12%	0.118	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.5	170.8	-59.9	-176.6	0	0	0	107.4	W6 A176 L183 I186 S187	W6-I205 HydrophobicContact CE3-CG2 3.99Å; A176-I205 HydrophobicContact CB-CG2 4.24Å; L183-I205 HydrophobicContact CB-CG2 4.31Å; L183-I205 HydrophobicContact CD2-CD1 3.88Å; L183-I205 HydrophobicContact CD2-CG2 4.08Å; I186-I205 HydrophobicContact CG2-CD1 3.92Å; I186-I205 HydrophobicContact CG2-CG1 4.49Å; S187-I205 WeakPolarHBondContact CB-O 3.03Å; S187-I205 PolarHBondContact OG-O 2.93Å
206	I	91.1	Very high	85.7	Confident	5 Å²	5	43.7 Å²	43.7	3%	0.026	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	158.3	179.5	63.7	158	0	0	0	111.3	T7 I9 T208 Q210 L211 Y214	T7-I206 PolarHBondContact N-O 3.09Å; T7-I206 PolarHBondContact O-N 3.44Å; I9-I206 HydrophobicContact CD1-CD1 3.44Å; I9-I206 VanDerWaalsContact CD1-CD1 3.44Å; I9-I206 HydrophobicContact CD1-CG1 3.79Å; I9-I206 HydrophobicContact CG1-CD1 4.43Å; I9-I206 HydrophobicContact CG1-CG1 4.35Å; I206-T208 PolarHBondContact O-N 2.82Å; I206-Q210 HydrophobicContact CD1-CB 4.4Å; I206-L211 HydrophobicContact CD1-CB 4.21Å; I206-L211 HydrophobicContact CD1-CD1 4.13Å; I206-Y214 HydrophobicContact CD1-CG 4.19Å; I206-Y214 HydrophobicContact CG2-CD2 4.09Å; I206-Y214 HydrophobicContact CG2-CE2 4.32Å; I206-Y214 HydrophobicContact CG2-CG 4.45Å
207	P	91.1	Very high	85.9	Confident	13 Å²	13	38.1 Å²	38.1	8%	0.084	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	134.8	165.5	-18.8	31	0	0	0	110.5	D5 W6 Y209 Q210	D5-P207 WeakPolarHBondContact O-CA 3.33Å; W6-P207 HydrophobicContact CE3-CG 4.38Å; W6-P207 HydrophobicContact CH2-CG 3.95Å; W6-P207 HydrophobicContact CZ3-CB 4.47Å; W6-P207 HydrophobicContact CZ3-CG 3.75Å; P207-Y209 HydrophobicContact CB-CD1 3.56Å; P207-Y209 HydrophobicContact CB-CE1 3.17Å; P207-Y209 HydrophobicContact CB-CG 4.43Å; P207-Y209 HydrophobicContact CG-CE1 3.98Å; P207-Y209 PolarHBondContact O-N 2.82Å; P207-Y209 VanDerWaalsContact O-N 3.12Å; P207-Q210 HydrophobicContact CB-CG 4.34Å; P207-Q210 HydrophobicContact CG-CG 4.46Å; P207-Q210 PolarHBondContact O-N 3.42Å
208	T	90.6	Very high	86.2	Confident	27 Å²	27	35.8 Å²	35.8	17%	0.166	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-59.4	-30	-174.6	-59.9	0	0	0	0	112.8	L2 T4 D5 W6 T7 I206 Q210 L211	L2-T208 HydrophobicContact CB-CG2 4.45Å; T4-T208 WeakPolarHBondContact O-CB 3.46Å; T4-T208 WeakPolarHBondContact O-CG2 3.41Å; T4-T208 PolarHBondContact O-OG1 2.86Å; D5-T208 PolarHBondContact O-N 2.81Å; D5-T208 PolarHBondContact O-OG1 2.85Å; W6-T208 VanDerWaalsContact C-OG1 3.28Å; W6-T208 PolarHBondContact N-OG1 3.27Å; T7-T208 PolarHBondContact N-OG1 3.45Å; T7-T208 WeakPolarHBondContact OG1-CB 3.09Å; T7-T208 WeakPolarHBondContact OG1-CG2 3.33Å; T7-T208 PolarHBondContact OG1-OG1 2.8Å; I206-T208 PolarHBondContact O-N 2.82Å; T208-Q210 PolarHBondContact O-N 3.11Å; T208-L211 WeakPolarHBondContact O-CB 3.26Å; T208-L211 PolarHBondContact O-N 3.17Å
209	Y	88.8	Confident	86.1	Confident	166 Å²	166	36.1 Å²	36.1	65%	0.651	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-68.9	-16.5	176	72	-95.4	0	0	0	114.1	P207	P207-Y209 HydrophobicContact CB-CD1 3.56Å; P207-Y209 HydrophobicContact CB-CE1 3.17Å; P207-Y209 HydrophobicContact CB-CG 4.43Å; P207-Y209 HydrophobicContact CG-CE1 3.98Å; P207-Y209 PolarHBondContact O-N 2.82Å; P207-Y209 VanDerWaalsContact O-N 3.12Å
210	Q	89.1	Confident	85.6	Confident	18 Å²	18	42.3 Å²	42.3	8%	0.084	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-93.8	1.1	176.5	-61.5	-174.2	-16.7	0	0	112.8	I206 P207 T208 D212 Q213 Y214	I206-Q210 HydrophobicContact CD1-CB 4.4Å; P207-Q210 HydrophobicContact CB-CG 4.34Å; P207-Q210 HydrophobicContact CG-CG 4.46Å; P207-Q210 PolarHBondContact O-N 3.42Å; T208-Q210 PolarHBondContact O-N 3.11Å; Q210-D212 PolarHBondContact O-N 3.47Å; Q210-Q213 PolarHBondContact O-N 3.44Å; Q210-Y214 PolarHBondContact O-N 2.93Å
211	L	88.8	Confident	85	Confident	9 Å²	9	45.5 Å²	45.5	5%	0.047	22%	0.219	C	C	.	.	H	α-helix	trans	-58.2	-45.9	-172.7	-177.3	61.3	0	0	0	113.2	T7 I9 R66 A173 I206 T208 Y214 I215	T7-L211 HydrophobicContact CG2-CD1 4.11Å; T7-L211 HydrophobicContact CG2-CD2 4.41Å; I9-L211 HydrophobicContact CD1-CD1 3.3Å; I9-L211 HydrophobicContact CG1-CD1 3.68Å; R66-L211 VanDerWaalsContact NH1-CD2 3.29Å; A173-L211 HydrophobicContact CB-CD1 4.44Å; A173-L211 HydrophobicContact CB-CD2 4.4Å; I206-L211 HydrophobicContact CD1-CB 4.21Å; I206-L211 HydrophobicContact CD1-CD1 4.13Å; T208-L211 WeakPolarHBondContact O-CB 3.26Å; T208-L211 PolarHBondContact O-N 3.17Å; L211-Y214 PolarHBondContact O-N 2.77Å; L211-I215 HydrophobicContact CD1-CD1 4.04Å; L211-I215 HydrophobicContact CD1-CG1 4.4Å; L211-I215 HydrophobicContact CG-CD1 3.87Å; L211-I215 WeakPolarHBondContact O-CD1 3.39Å; L211-I215 VanDerWaalsContact O-CG1 3.22Å; L211-I215 WeakPolarHBondContact O-CG1 3.39Å; L211-I215 PolarHBondContact O-N 3.24Å
212	D	86.4	Confident	84.5	Confident	75 Å²	75	55.6 Å²	55.6	40%	0.401	26%	0.263	S	S	.	.	H	α-helix	trans	-61.7	-46	178.8	-67.3	-52.5	0	0	0	112.1	R66 Q210 Y214 I215 D216	R66-D212 IonicContact CZ-OD1 2.73Å; R66-D212 IonicContact CZ-OD2 3.36Å; R66-D212 IonicContact NE-OD1 3.48Å; R66-D212 IonicContact NH1-OD1 2.63Å; R66-D212 PolarHBondContact NH1-OD1 2.92Å; R66-D212 IonicContact NH1-OD2 3.56Å; R66-D212 IonicContact NH2-OD1 2.74Å; R66-D212 PolarHBondContact NH2-OD1 3.06Å; R66-D212 IonicContact NH2-OD2 3.47Å; R66-D212 PolarHBondContact NH2-OD2 3.22Å; Q210-D212 PolarHBondContact O-N 3.47Å; D212-Y214 VanDerWaalsContact C-N 3.32Å; D212-Y214 PolarHBondContact O-N 2.85Å; D212-I215 PolarHBondContact O-N 3.3Å; D212-D216 PolarHBondContact O-N 2.88Å
213	Q	85.9	Confident	84	Confident	61 Å²	61	56 Å²	56	29%	0.285	27%	0.266	S	S	.	.	H	α-helix	trans	-61.7	-38.5	177.2	179.7	177.9	76.4	0	0	112.6	Q210 V217 Y265	Q210-Q213 PolarHBondContact O-N 3.44Å; Q213-V217 WeakPolarHBondContact O-CG2 3.32Å; Q213-V217 PolarHBondContact O-N 2.84Å; Q213-V217 VanDerWaalsContact O-N 3.13Å; Q213-Y265 HydrophobicContact CG-CD2 4.15Å; Q213-Y265 HydrophobicContact CG-CE2 3.69Å; Q213-Y265 VanDerWaalsContact NE2-CE2 3.34Å
214	Y	87.5	Confident	83.6	Confident	38 Å²	38	56.5 Å²	56.5	15%	0.149	27%	0.273	C	S	.	.	H	α-helix	trans	-69.5	-38.7	177.7	-166.9	-94.7	0	0	0	112.2	I9 L200 A204 I206 Q210 L211 D212 V217 L218	I9-Y214 HydrophobicContact CD1-CD1 3.37Å; I9-Y214 HydrophobicContact CD1-CE1 3.92Å; I9-Y214 HydrophobicContact CD1-CG 4.06Å; I9-Y214 HydrophobicContact CG2-CE1 4.38Å; L200-Y214 HydrophobicContact CD2-CE2 4.42Å; A204-Y214 HydrophobicContact CB-CE1 4.13Å; A204-Y214 HydrophobicContact CB-CE2 4.43Å; A204-Y214 VanDerWaalsContact CB-OH 3.28Å; A204-Y214 WeakPolarHBondContact CB-OH 3.41Å; I206-Y214 HydrophobicContact CD1-CG 4.19Å; I206-Y214 HydrophobicContact CG2-CD2 4.09Å; I206-Y214 HydrophobicContact CG2-CE2 4.32Å; I206-Y214 HydrophobicContact CG2-CG 4.45Å; Q210-Y214 PolarHBondContact O-N 2.93Å; L211-Y214 PolarHBondContact O-N 2.77Å; D212-Y214 VanDerWaalsContact C-N 3.32Å; D212-Y214 PolarHBondContact O-N 2.85Å; Y214-V217 PolarHBondContact O-N 3.34Å; Y214-L218 HydrophobicContact CD1-CD1 3.66Å; Y214-L218 HydrophobicContact CD1-CG 4.12Å; Y214-L218 HydrophobicContact CE1-CD1 3.55Å; Y214-L218 HydrophobicContact CE1-CD2 4.37Å; Y214-L218 HydrophobicContact CE1-CG 3.93Å; Y214-L218 PolarHBondContact O-N 3.44Å
215	I	86.7	Confident	83.2	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.6	-43.1	175.5	-65	153.3	0	0	0	110.6	V58 L211 D212 V217 L218 L219	V58-I215 HydrophobicContact CG1-CD1 3.17Å; V58-I215 HydrophobicContact CG1-CG1 3.84Å; L211-I215 HydrophobicContact CD1-CD1 4.04Å; L211-I215 HydrophobicContact CD1-CG1 4.4Å; L211-I215 HydrophobicContact CG-CD1 3.87Å; L211-I215 WeakPolarHBondContact O-CD1 3.39Å; L211-I215 VanDerWaalsContact O-CG1 3.22Å; L211-I215 WeakPolarHBondContact O-CG1 3.39Å; L211-I215 PolarHBondContact O-N 3.24Å; D212-I215 PolarHBondContact O-N 3.3Å; I215-V217 VanDerWaalsContact C-N 3.25Å; I215-V217 PolarHBondContact O-N 3.17Å; I215-L218 WeakPolarHBondContact O-CB 3.44Å; I215-L218 PolarHBondContact O-N 3.17Å; I215-L218 VanDerWaalsContact O-N 3.12Å; I215-L219 HydrophobicContact CG2-CD1 3.78Å; I215-L219 HydrophobicContact CG2-CG 4.23Å; I215-L219 WeakPolarHBondContact O-CB 3.39Å; I215-L219 WeakPolarHBondContact O-CG 3.47Å; I215-L219 PolarHBondContact O-N 2.9Å
216	D	84.5	Confident	82.6	Confident	78 Å²	78	59.6 Å²	59.6	42%	0.417	29%	0.291	S	S	.	.	H	α-helix	trans	-60.2	-39.1	176.4	-69.5	-17.4	0	0	0	111.1	D212 L219 H220	D212-D216 PolarHBondContact O-N 2.88Å; D216-L219 PolarHBondContact O-N 2.68Å; D216-H220 VanDerWaalsContact O-CB 3.28Å; D216-H220 WeakPolarHBondContact O-CB 3.42Å; D216-H220 PolarHBondContact O-CD2 3.42Å; D216-H220 VanDerWaalsContact O-CD2 3.24Å; D216-H220 PolarHBondContact O-N 2.89Å
217	V	83.1	Confident	81.9	Confident	22 Å²	22	62.5 Å²	62.5	13%	0.133	31%	0.306	C	S	.	.	H	α-helix	trans	-64	-45.2	173.6	169.2	0	0	0	0	111.5	L200 Q213 Y214 I215 L219 K221	L200-V217 HydrophobicContact CD1-CG1 3.95Å; L200-V217 HydrophobicContact CD2-CG1 4.1Å; Q213-V217 WeakPolarHBondContact O-CG2 3.32Å; Q213-V217 PolarHBondContact O-N 2.84Å; Q213-V217 VanDerWaalsContact O-N 3.13Å; Y214-V217 PolarHBondContact O-N 3.34Å; I215-V217 VanDerWaalsContact C-N 3.25Å; I215-V217 PolarHBondContact O-N 3.17Å; V217-L219 VanDerWaalsContact C-N 3.3Å; V217-L219 PolarHBondContact O-N 2.9Å; V217-K221 HydrophobicContact CG1-CB 4.26Å; V217-K221 HydrophobicContact CG1-CD 4.07Å; V217-K221 HydrophobicContact CG1-CG 4.16Å; V217-K221 HydrophobicContact CG2-CD 4.48Å; V217-K221 WeakPolarHBondContact O-CA 3.36Å; V217-K221 VanDerWaalsContact O-CB 3.22Å; V217-K221 WeakPolarHBondContact O-CB 3.42Å; V217-K221 PolarHBondContact O-N 2.72Å
218	L	82.9	Confident	80.9	Confident	26 Å²	26	62.2 Å²	62.2	14%	0.136	30%	0.304	C	S	.	.	H	α-helix	trans	-61.5	-36.5	177.1	-77.6	169.6	0	0	0	112.9	I9 V11 I171 L200 Y214 I215 L225	I9-L218 HydrophobicContact CG2-CD1 4.47Å; V11-L218 HydrophobicContact CG2-CD2 4.45Å; I171-L218 HydrophobicContact CD1-CB 4.13Å; I171-L218 HydrophobicContact CD1-CD1 3.85Å; I171-L218 HydrophobicContact CG2-CD1 4.32Å; L200-L218 HydrophobicContact CB-CD2 4.32Å; L200-L218 HydrophobicContact CD1-CD2 3.74Å; L200-L218 HydrophobicContact CD1-CG 4.38Å; Y214-L218 HydrophobicContact CD1-CD1 3.66Å; Y214-L218 HydrophobicContact CD1-CG 4.12Å; Y214-L218 HydrophobicContact CE1-CD1 3.55Å; Y214-L218 HydrophobicContact CE1-CD2 4.37Å; Y214-L218 HydrophobicContact CE1-CG 3.93Å; Y214-L218 PolarHBondContact O-N 3.44Å; I215-L218 WeakPolarHBondContact O-CB 3.44Å; I215-L218 PolarHBondContact O-N 3.17Å; I215-L218 VanDerWaalsContact O-N 3.12Å; L218-L225 HydrophobicContact CD2-CD2 3.72Å
219	L	79.9	Confident	79.8	Confident	41 Å²	41	69.3 Å²	69.3	22%	0.215	33%	0.329	C	S	.	.	H	α-helix	trans	-82	-38.5	-177.2	-73.9	179.5	0	0	0	113.2	N64 I215 D216 V217	N64-L219 HydrophobicContact CB-CD1 4.39Å; I215-L219 HydrophobicContact CG2-CD1 3.78Å; I215-L219 HydrophobicContact CG2-CG 4.23Å; I215-L219 WeakPolarHBondContact O-CB 3.39Å; I215-L219 WeakPolarHBondContact O-CG 3.47Å; I215-L219 PolarHBondContact O-N 2.9Å; D216-L219 PolarHBondContact O-N 2.68Å; V217-L219 VanDerWaalsContact C-N 3.3Å; V217-L219 PolarHBondContact O-N 2.9Å
220	H	74.1	Confident	78.6	Confident	145 Å²	145	64.6 Å²	64.6	67%	0.671	32%	0.32	S	S	*	.	H	α-helix	trans	-103.5	-25.7	-171.1	-64.3	-63.4	0	0	0	113.9	D216	D216-H220 VanDerWaalsContact O-CB 3.28Å; D216-H220 WeakPolarHBondContact O-CB 3.42Å; D216-H220 PolarHBondContact O-CD2 3.42Å; D216-H220 VanDerWaalsContact O-CD2 3.24Å; D216-H220 PolarHBondContact O-N 2.89Å
221	K	68.7	Low	77.5	Confident	79 Å²	79	65 Å²	65	34%	0.343	32%	0.323	S	S	.	.			trans	-92.5	120.5	177.4	-56.9	-156.4	172.4	-157.8	0	109.5	V217 L223 E269	V217-K221 HydrophobicContact CG1-CB 4.26Å; V217-K221 HydrophobicContact CG1-CD 4.07Å; V217-K221 HydrophobicContact CG1-CG 4.16Å; V217-K221 HydrophobicContact CG2-CD 4.48Å; V217-K221 WeakPolarHBondContact O-CA 3.36Å; V217-K221 VanDerWaalsContact O-CB 3.22Å; V217-K221 WeakPolarHBondContact O-CB 3.42Å; V217-K221 PolarHBondContact O-N 2.72Å; K221-L223 HydrophobicContact CB-CD1 4.24Å; K221-L223 HydrophobicContact CB-CG 4.09Å; K221-L223 PolarHBondContact O-N 3.21Å; K221-E269 IonicContact NZ-OE2 2.64Å; K221-E269 PolarHBondContact NZ-OE2 3.4Å
222	K	66.3	Low	76.2	Confident	214 Å²	214	67.8 Å²	67.8	93%	0.93	33%	0.333	S	S	*	.			trans	-73.7	44	174.8	-65.8	-174.5	176.6	-177.6	0	112.4
223	L	74.8	Confident	74.8	Confident	67 Å²	67	70.5 Å²	70.5	35%	0.351	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-79.6	138	175	-63.7	173.5	0	0	0	108.9	G198 L200 K221	G198-L223 WeakPolarHBondContact O-CD2 3.31Å; L200-L223 HydrophobicContact CD1-CB 3.94Å; L200-L223 HydrophobicContact CD1-CD1 4.1Å; L200-L223 HydrophobicContact CD2-CD1 4.29Å; L200-L223 HydrophobicContact CG-CB 3.92Å; L200-L223 HydrophobicContact CG-CD1 3.89Å; K221-L223 HydrophobicContact CB-CD1 4.24Å; K221-L223 HydrophobicContact CB-CG 4.09Å; K221-L223 PolarHBondContact O-N 3.21Å
224	P	77.4	Confident	73.2	Confident	76 Å²	76	70.1 Å²	70.1	49%	0.494	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-62.5	139.7	174.6	25	-33.3	0	0	0	111.1	G198 V199 L200	G198-P224 WeakPolarHBondContact O-CD 3.19Å; V199-P224 WeakPolarHBondContact CA-O 3.49Å; V199-P224 HydrophobicContact CB-CG 4.42Å; V199-P224 HydrophobicContact CG1-CG 3.82Å; L200-P224 PolarHBondContact N-O 2.98Å
225	L	80.5	Confident	71.4	Confident	48 Å²	48	70 Å²	70	25%	0.251	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	133.4	174.4	-72.8	170.5	0	0	0	110	V11 L200 M202 L218	V11-L225 HydrophobicContact CB-CD1 4.48Å; V11-L225 HydrophobicContact CG1-CD1 3.99Å; V11-L225 HydrophobicContact CG2-CD1 4.35Å; V11-L225 HydrophobicContact CG2-CD2 4.3Å; L200-L225 HydrophobicContact CB-CD2 3.74Å; L200-L225 CarbonylContact O-C 3.48Å; L200-L225 WeakPolarHBondContact O-CA 3.38Å; M202-L225 HydrophobicContact CG-CB 4.12Å; L218-L225 HydrophobicContact CD2-CD2 3.72Å
226	V	75.9	Confident	69	Low	44 Å²	44	75.6 Å²	75.6	27%	0.267	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	146.9	-174.5	-161.4	0	0	0	0	110.1	V199 L200 G201 M202 L228	V199-V226 HydrophobicContact CB-CG2 3.67Å; V199-V226 HydrophobicContact CG1-CG2 3.61Å; V199-V226 HydrophobicContact CG2-CG2 4.24Å; L200-V226 PolarHBondContact O-N 2.83Å; G201-V226 CarbonylContact C-O 3.56Å; G201-V226 WeakPolarHBondContact CA-O 3.27Å; M202-V226 PolarHBondContact N-O 2.82Å; V226-L228 PolarHBondContact O-N 2.87Å
227	D	78.1	Confident	66.6	Low	66 Å²	66	76.7 Å²	76.7	35%	0.353	38%	0.38	S	S	.	.			trans	-70.9	109.7	163.2	170.3	28	0	0	0	109.5	Y229 S230 L231	D227-Y229 PolarHBondContact O-N 2.9Å; D227-Y229 WeakPolarHBondContact OD1-CB 3.19Å; D227-Y229 PolarHBondContact OD1-N 3.4Å; D227-S230 WeakPolarHBondContact O-CB 3.49Å; D227-S230 PolarHBondContact O-N 2.98Å; D227-S230 WeakPolarHBondContact OD2-CB 3.44Å; D227-S230 PolarHBondContact OD2-N 3Å; D227-S230 PolarHBondContact OD2-OG 3.47Å; D227-L231 PolarHBondContact O-N 3.17Å
228	L	70.3	Confident	64.3	Low	7 Å²	7	79.2 Å²	79.2	4%	0.037	40%	0.398	C	S	.	.	H	α-helix	trans	-63.1	-29.3	-179.1	-67.4	177.2	0	0	0	112.2	Q190 V193 V226 L231 Y232	Q190-L228 HydrophobicContact CB-CD1 3.88Å; Q190-L228 HydrophobicContact CG-CD1 3.75Å; V193-L228 HydrophobicContact CG1-CD2 3.95Å; V226-L228 PolarHBondContact O-N 2.87Å; L228-L231 PolarHBondContact O-N 2.99Å; L228-Y232 HydrophobicContact CB-CD2 4.46Å; L228-Y232 HydrophobicContact CB-CE2 4.19Å; L228-Y232 WeakPolarHBondContact O-CD2 3.4Å; L228-Y232 PolarHBondContact O-N 3.23Å
229	Y	67.3	Low	62	Low	176 Å²	176	81.9 Å²	81.9	69%	0.69	41%	0.412	S	S	*	.	H	α-helix	trans	-64	-43.4	178	-176.3	-99.1	0	0	0	111.5	D227 L231 Y232 K233	D227-Y229 PolarHBondContact O-N 2.9Å; D227-Y229 WeakPolarHBondContact OD1-CB 3.19Å; D227-Y229 PolarHBondContact OD1-N 3.4Å; Y229-L231 VanDerWaalsContact C-N 3.26Å; Y229-L231 PolarHBondContact O-N 2.97Å; Y229-Y232 PolarHBondContact O-N 3.02Å; Y229-K233 PolarHBondContact O-N 3.28Å
230	S	63.5	Low	59.7	Low	66 Å²	66	87.8 Å²	87.8	46%	0.462	44%	0.438	S	S	.	.	H	α-helix	trans	-59.4	-37.4	173.4	-66.9	0	0	0	0	112.3	D227 K233 T234	D227-S230 WeakPolarHBondContact O-CB 3.49Å; D227-S230 PolarHBondContact O-N 2.98Å; D227-S230 WeakPolarHBondContact OD2-CB 3.44Å; D227-S230 PolarHBondContact OD2-N 3Å; D227-S230 PolarHBondContact OD2-OG 3.47Å; S230-K233 PolarHBondContact O-N 3.02Å; S230-T234 PolarHBondContact O-N 2.95Å; S230-T234 PolarHBondContact O-OG1 2.99Å
231	L	65.1	Low	57.6	Low	27 Å²	27	88.1 Å²	88.1	14%	0.141	45%	0.445	C	S	.	.	H	α-helix	trans	-73	-38.4	178.1	-163.2	61.6	0	0	0	112.5	V193 H197 V199 D227 L228 Y229 K233 T234 D235	V193-L231 HydrophobicContact CG1-CD2 3.41Å; V193-L231 VanDerWaalsContact CG1-CD2 3.41Å; V193-L231 HydrophobicContact CG1-CG 4.11Å; H197-L231 HydrophobicContact CB-CD2 4.24Å; V199-L231 HydrophobicContact CG2-CD2 4.22Å; D227-L231 PolarHBondContact O-N 3.17Å; L228-L231 PolarHBondContact O-N 2.99Å; Y229-L231 VanDerWaalsContact C-N 3.26Å; Y229-L231 PolarHBondContact O-N 2.97Å; L231-K233 VanDerWaalsContact C-N 3.28Å; L231-K233 PolarHBondContact O-N 3.01Å; L231-T234 WeakPolarHBondContact CA-OG1 3.48Å; L231-T234 PolarHBondContact O-N 3.19Å; L231-T234 PolarHBondContact O-OG1 3.08Å; L231-D235 PolarHBondContact O-N 3.41Å
232	Y	62	Low	55.8	Low	67 Å²	67	88.2 Å²	88.2	26%	0.263	45%	0.448	S	S	.	.	H	α-helix	trans	-59.7	-39.3	171.2	-78.7	-62.1	0	0	0	111.9	K189 Q190 V193 L228 Y229 T234 D235 L236	K189-Y232 VanDerWaalsContact C-OH 3.22Å; K189-Y232 PolarHBondContact O-OH 3.35Å; Q190-Y232 PolarHBondContact N-OH 3.4Å; V193-Y232 HydrophobicContact CG2-CD1 4.45Å; V193-Y232 HydrophobicContact CG2-CE1 3.66Å; L228-Y232 HydrophobicContact CB-CD2 4.46Å; L228-Y232 HydrophobicContact CB-CE2 4.19Å; L228-Y232 WeakPolarHBondContact O-CD2 3.4Å; L228-Y232 PolarHBondContact O-N 3.23Å; Y229-Y232 PolarHBondContact O-N 3.02Å; Y232-T234 VanDerWaalsContact C-N 3.34Å; Y232-T234 PolarHBondContact O-N 3.37Å; Y232-D235 PolarHBondContact O-N 3.14Å; Y232-L236 WeakPolarHBondContact O-CB 3.3Å; Y232-L236 WeakPolarHBondContact O-CD1 3.46Å; Y232-L236 PolarHBondContact O-N 3.23Å
233	K	56.4	Low	54.1	Low	133 Å²	133	84 Å²	84	58%	0.578	44%	0.441	S	S	*	.	H	α-helix	trans	-64.5	-39.5	177.7	-168.7	178.5	-179.5	-177.7	0	111.5	Y229 S230 L231 L236 L237	Y229-K233 PolarHBondContact O-N 3.28Å; S230-K233 PolarHBondContact O-N 3.02Å; L231-K233 VanDerWaalsContact C-N 3.28Å; L231-K233 PolarHBondContact O-N 3.01Å; K233-L236 PolarHBondContact O-N 3.19Å; K233-L237 HydrophobicContact CG-CD1 3.95Å; K233-L237 WeakPolarHBondContact O-CB 3.35Å; K233-L237 WeakPolarHBondContact O-CD1 3.39Å; K233-L237 WeakPolarHBondContact O-CG 3.16Å; K233-L237 PolarHBondContact O-N 3.01Å
234	T	52.2	Low	52	Low	53 Å²	53	85.4 Å²	85.4	33%	0.325	45%	0.449	S	S	.	.	H	α-helix	trans	-66.7	-37.3	174.8	45.8	0	0	0	0	112.3	S230 L231 Y232 S238	S230-T234 PolarHBondContact O-N 2.95Å; S230-T234 PolarHBondContact O-OG1 2.99Å; L231-T234 WeakPolarHBondContact CA-OG1 3.48Å; L231-T234 PolarHBondContact O-N 3.19Å; L231-T234 PolarHBondContact O-OG1 3.08Å; Y232-T234 VanDerWaalsContact C-N 3.34Å; Y232-T234 PolarHBondContact O-N 3.37Å; T234-S238 PolarHBondContact O-N 3.32Å; T234-S238 VanDerWaalsContact O-N 3.12Å
235	D	48.9	Very low	49.9	Very low	36 Å²	36	86.3 Å²	86.3	19%	0.193	45%	0.448	C	S	.	.	H	α-helix	trans	-70	-43.4	174.8	-74.8	-13.9	0	0	0	111.3	H197 L231 Y232 L237 S238 I239	H197-D235 IonicContact NE2-OD2 3.78Å; L231-D235 PolarHBondContact O-N 3.41Å; Y232-D235 PolarHBondContact O-N 3.14Å; D235-L237 VanDerWaalsContact C-N 3.33Å; D235-L237 PolarHBondContact O-N 2.64Å; D235-S238 CarbonylContact O-C 3.45Å; D235-S238 WeakPolarHBondContact O-CA 3.05Å; D235-S238 WeakPolarHBondContact O-CB 3.19Å; D235-S238 PolarHBondContact O-N 2.85Å; D235-S238 PolarHBondContact O-OG 3.46Å; D235-I239 HydrophobicContact CB-CD1 4.48Å; D235-I239 WeakPolarHBondContact O-CD1 3.49Å; D235-I239 WeakPolarHBondContact O-CG1 3.45Å; D235-I239 PolarHBondContact O-N 2.9Å; D235-I239 VanDerWaalsContact O-N 3.12Å
236	L	36.8	Very low	47.4	Very low	117 Å²	117	93.9 Å²	93.9	61%	0.613	48%	0.475	S	S	*	.	H	α-helix	trans	-63	-35.7	175.2	-95.5	96	0	0	0	113	Y232 K233 S238 I239	Y232-L236 WeakPolarHBondContact O-CB 3.3Å; Y232-L236 WeakPolarHBondContact O-CD1 3.46Å; Y232-L236 PolarHBondContact O-N 3.23Å; K233-L236 PolarHBondContact O-N 3.19Å; L236-S238 PolarHBondContact O-N 3Å; L236-I239 PolarHBondContact O-N 3.28Å; L236-I239 VanDerWaalsContact O-N 3.11Å
237	L	34.5	Very low	45.3	Very low	101 Å²	101	99 Å²	99	53%	0.529	50%	0.496	S	S	.	.	H	α-helix	trans	-73.9	-16.2	174.1	-71.4	166.8	0	0	0	112.8	K233 D235	K233-L237 HydrophobicContact CG-CD1 3.95Å; K233-L237 WeakPolarHBondContact O-CB 3.35Å; K233-L237 WeakPolarHBondContact O-CD1 3.39Å; K233-L237 WeakPolarHBondContact O-CG 3.16Å; K233-L237 PolarHBondContact O-N 3.01Å; D235-L237 VanDerWaalsContact C-N 3.33Å; D235-L237 PolarHBondContact O-N 2.64Å
238	S	34.9	Very low	43	Very low	75 Å²	75	103.7 Å²	103.7	52%	0.524	51%	0.513	S	S	.	.	H	α-helix	trans	-86.8	-10.4	167.6	77.8	0	0	0	0	113.3	T234 D235 L236	T234-S238 PolarHBondContact O-N 3.32Å; T234-S238 VanDerWaalsContact O-N 3.12Å; D235-S238 CarbonylContact O-C 3.45Å; D235-S238 WeakPolarHBondContact O-CA 3.05Å; D235-S238 WeakPolarHBondContact O-CB 3.19Å; D235-S238 PolarHBondContact O-N 2.85Å; D235-S238 PolarHBondContact O-OG 3.46Å; L236-S238 PolarHBondContact O-N 3Å
239	I	33.8	Very low	41.1	Very low	82 Å²	82	108.3 Å²	108.3	42%	0.421	54%	0.542	S	S	.	.			trans	-103.5	27.2	-176.6	-61	159.1	0	0	0	111.4	D235 L236 N241	D235-I239 HydrophobicContact CB-CD1 4.48Å; D235-I239 WeakPolarHBondContact O-CD1 3.49Å; D235-I239 WeakPolarHBondContact O-CG1 3.45Å; D235-I239 PolarHBondContact O-N 2.9Å; D235-I239 VanDerWaalsContact O-N 3.12Å; L236-I239 PolarHBondContact O-N 3.28Å; L236-I239 VanDerWaalsContact O-N 3.11Å; I239-N241 PolarHBondContact O-N 3.47Å
240	E	31.9	Very low	39.3	Very low	164 Å²	164	107.1 Å²	107.1	77%	0.766	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	11.4	169.5	-84.8	-170	164.3	0	0	114
241	N	29.9	Very low	37.6	Very low	152 Å²	152	107.9 Å²	107.9	81%	0.813	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.9	18.3	-174	-112.2	-5.2	0	0	0	115.8	I239	I239-N241 PolarHBondContact O-N 3.47Å
242	I	30.7	Very low	35.8	Very low	81 Å²	81	114 Å²	114	42%	0.415	59%	0.586	S	S	.	*			trans	-127.7	79.1	-177.1	-46.3	-178.5	0	0	0	112.2	D244 I245	I242-D244 HydrophobicContact CG2-CB 3.7Å; I242-D244 PolarHBondContact O-N 2.91Å; I242-D244 VanDerWaalsContact O-N 3.16Å; I242-I245 HydrophobicContact CB-CD1 4.04Å; I242-I245 HydrophobicContact CB-CG1 4.48Å; I242-I245 HydrophobicContact CD1-CD1 4.14Å; I242-I245 HydrophobicContact CG2-CB 4.41Å; I242-I245 HydrophobicContact CG2-CD1 3.63Å; I242-I245 HydrophobicContact CG2-CG1 3.6Å
243	T	31.2	Very low	34.1	Very low	125 Å²	125	119.9 Å²	119.9	77%	0.767	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-1.9	152.4	16.5	0	0	0	0	113.8
244	D	31.6	Very low	32.7	Very low	98 Å²	98	119.4 Å²	119.4	52%	0.524	62%	0.624	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.1	3.3	-175.3	-61.3	-18.8	0	0	0	116	I242	I242-D244 HydrophobicContact CG2-CB 3.7Å; I242-D244 PolarHBondContact O-N 2.91Å; I242-D244 VanDerWaalsContact O-N 3.16Å
245	I	31.9	Very low	31.4	Very low	94 Å²	94	122.5 Å²	122.5	48%	0.482	64%	0.638	S	S	.	*	S	Bend	trans	-98	-23.9	-179	-68.6	161.9	0	0	0	112.6	I242 T249	I242-I245 HydrophobicContact CB-CD1 4.04Å; I242-I245 HydrophobicContact CB-CG1 4.48Å; I242-I245 HydrophobicContact CD1-CD1 4.14Å; I242-I245 HydrophobicContact CG2-CB 4.41Å; I242-I245 HydrophobicContact CG2-CD1 3.63Å; I242-I245 HydrophobicContact CG2-CG1 3.6Å; I245-T249 PolarHBondContact O-OG1 3.3Å
246	Y	28.1	Very low	30.4	Very low	207 Å²	207	126 Å²	126	81%	0.812	66%	0.664	S	S	*	*	S	Bend	trans	-89.3	-9.9	175.1	-87.1	-84.5	0	0	0	114.2
247	E	31.4	Very low	30	Very low	153 Å²	153	128.5 Å²	128.5	72%	0.715	67%	0.671	S	S	*	*	S	Bend	trans	-95.8	-19.1	173.4	-70.9	-169.5	160.2	0	0	113.7
248	K	31.4	Very low	29.7	Very low	163 Å²	163	132.4 Å²	132.4	71%	0.709	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-3.8	178.9	-91.9	175	178.5	166	0	115.5
249	T	29.9	Very low	29.3	Very low	105 Å²	105	136.4 Å²	136.4	64%	0.644	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-0.6	178.5	39.5	0	0	0	0	113.3	I245	I245-T249 PolarHBondContact O-OG1 3.3Å
250	N	28.4	Very low	29	Very low	150 Å²	150	136.5 Å²	136.5	80%	0.802	70%	0.699	S	S	*	*	S	Bend	trans	-100.5	11.3	173.3	-88.1	-20.5	0	0	0	114.3
251	S	29.6	Very low	28.6	Very low	83 Å²	83	137.6 Å²	137.6	58%	0.58	70%	0.701	S	S	*	*	S	Bend	trans	-111.1	115.1	170	58.4	0	0	0	0	110.2
252	N	25.8	Very low	28.5	Very low	155 Å²	155	134.4 Å²	134.4	83%	0.829	69%	0.689	S	S	*	*	S	Bend	trans	-41.3	149.2	170.4	-59.7	-45.9	0	0	0	112.9
253	E	26.2	Very low	28.5	Very low	191 Å²	191	132.7 Å²	132.7	89%	0.893	68%	0.68	S	S	*	*			trans	87.2	75.1	175.6	-56.7	-177.3	149.5	0	0	117.1
254	V	28.2	Very low	28.2	Very low	123 Å²	123	134.2 Å²	134.2	75%	0.745	68%	0.679	S	S	*	*			trans	-130.5	113.4	145.8	-175	0	0	0	0	109.4	C256	V254-C256 PolarHBondContact O-N 3.12Å; V254-C256 VanDerWaalsContact O-N 3.08Å
255	D	24.5	Very low	28	Very low	117 Å²	117	136.2 Å²	136.2	63%	0.626	68%	0.68	S	S	*	*			trans	-62.5	99.7	-172.3	-154.5	-1.8	0	0	0	111.6	F257	D255-F257 PolarHBondContact O-N 3.24Å
256	C	27.6	Very low	27.8	Very low	109 Å²	109	136.6 Å²	136.6	74%	0.736	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	5.5	-178.4	-70.9	0	0	0	0	114.2	V254	V254-C256 PolarHBondContact O-N 3.12Å; V254-C256 VanDerWaalsContact O-N 3.08Å
257	F	27.9	Very low	27.7	Very low	171 Å²	171	129.6 Å²	129.6	75%	0.75	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-1.1	179.5	-83.4	-83.6	0	0	0	115.4	D255	D255-F257 PolarHBondContact O-N 3.24Å
258	K	28.2	Very low	27.5	Very low	183 Å²	183	126.7 Å²	126.7	80%	0.796	67%	0.674	S	S	*	*	S	Bend	trans	-92.5	-11.7	175.7	-91.2	-179.3	178.5	174.6	0	115.4
259	F	27.9	Very low	27.4	Very low	159 Å²	159	126.4 Å²	126.4	70%	0.697	68%	0.675	S	S	*	*	S	Bend	trans	-101.6	5.2	-173.5	-72	-79.3	0	0	0	114.6
260	S	26.8	Very low	27.4	Very low	83 Å²	83	127.6 Å²	127.6	58%	0.58	68%	0.677	S	S	*	*			trans	-105.9	16.5	-171.7	46.2	0	0	0	0	114.9
261	K	24.2	Very low	27.4	Very low	187 Å²	187	125.5 Å²	125.5	81%	0.813	67%	0.665	S	S	*	*			trans	-82.2	126.7	173.4	-76.5	-167.7	176.9	-171.2	0	111.1
262	P	27.9	Very low	27.3	Very low	86 Å²	86	130.2 Å²	130.2	56%	0.558	68%	0.678	S	S	*	*			trans	-57	155.2	169.4	-8.2	20.5	0	0	0	109.4	E264	P262-E264 PolarHBondContact O-N 2.9Å
263	I	29.9	Very low	27.4	Very low	44 Å²	44	131.3 Å²	131.3	23%	0.226	68%	0.68	C	S	.	*			trans	-65.8	86	171.6	-55.1	173.5	0	0	0	108.5	Y265	I263-Y265 HydrophobicContact CG2-CD1 4.09Å; I263-Y265 HydrophobicContact CG2-CD2 3.47Å; I263-Y265 VanDerWaalsContact CG2-CD2 3.47Å; I263-Y265 HydrophobicContact CG2-CE1 3.87Å; I263-Y265 HydrophobicContact CG2-CE2 3.22Å; I263-Y265 HydrophobicContact CG2-CG 3.88Å; I263-Y265 VanDerWaalsContact CG2-CZ 3.41Å; I263-Y265 PolarHBondContact O-N 3.32Å
264	E	24	Very low	27.5	Very low	157 Å²	157	128.3 Å²	128.3	73%	0.734	67%	0.67	S	S	*	*			trans	-75.9	96.3	155.3	-78.3	-177.4	165.8	0	0	106.5	P262 T266	P262-E264 PolarHBondContact O-N 2.9Å; E264-T266 PolarHBondContact O-N 3.49Å
265	Y	29.1	Very low	27.6	Very low	141 Å²	141	130.3 Å²	130.3	55%	0.553	67%	0.669	S	S	*	*			trans	-70.5	87.6	160	-72.3	-65.4	0	0	0	107.3	Q213 I263 G267	Q213-Y265 HydrophobicContact CG-CD2 4.15Å; Q213-Y265 HydrophobicContact CG-CE2 3.69Å; Q213-Y265 VanDerWaalsContact NE2-CE2 3.34Å; I263-Y265 HydrophobicContact CG2-CD1 4.09Å; I263-Y265 HydrophobicContact CG2-CD2 3.47Å; I263-Y265 VanDerWaalsContact CG2-CD2 3.47Å; I263-Y265 HydrophobicContact CG2-CE1 3.87Å; I263-Y265 HydrophobicContact CG2-CE2 3.22Å; I263-Y265 HydrophobicContact CG2-CG 3.88Å; I263-Y265 VanDerWaalsContact CG2-CZ 3.41Å; I263-Y265 PolarHBondContact O-N 3.32Å; Y265-G267 PolarHBondContact O-N 3.13Å
266	T	26.8	Very low	27.7	Very low	102 Å²	102	132.3 Å²	132.3	63%	0.626	68%	0.677	S	S	*	*			trans	-62	127.8	165.5	48.3	0	0	0	0	108.3	E264 S268	E264-T266 PolarHBondContact O-N 3.49Å; T266-S268 VanDerWaalsContact C-N 3.28Å; T266-S268 PolarHBondContact O-N 2.82Å; T266-S268 PolarHBondContact O-OG 3.46Å
267	G	26	Very low	27.8	Very low	60 Å²	60	133.2 Å²	133.2	62%	0.619	68%	0.68	S	S	*	*	S	Bend	trans	-64.5	71.2	-171.5	0	0	0	0	0	115.6	Y265	Y265-G267 PolarHBondContact O-N 3.13Å
268	S	27.3	Very low	27.7	Very low	91 Å²	91	134.4 Å²	134.4	64%	0.636	69%	0.688	S	S	*	*			trans	-109.5	4.4	173.3	52.3	0	0	0	0	114.6	T266	T266-S268 VanDerWaalsContact C-N 3.28Å; T266-S268 PolarHBondContact O-N 2.82Å; T266-S268 PolarHBondContact O-OG 3.46Å
269	E	29.9	Very low	27.6	Very low	158 Å²	158	130.9 Å²	130.9	74%	0.738	69%	0.685	S	S	*	*	S	Bend	trans	-104.2	5.6	166.3	-71.9	-177.4	160.5	0	0	113.1	K221	K221-E269 IonicContact NZ-OE2 2.64Å; K221-E269 PolarHBondContact NZ-OE2 3.4Å
270	L	28.7	Very low	27.6	Very low	129 Å²	129	129 Å²	129	68%	0.675	69%	0.692	S	S	*	*	S	Bend	trans	-93.4	13.1	170	-87.5	169.4	0	0	0	114	N274	L270-N274 PolarHBondContact O-ND2 2.96Å; L270-N274 VanDerWaalsContact O-ND2 3.14Å
271	I	28.9	Very low	27.6	Very low	107 Å²	107	130.5 Å²	130.5	55%	0.549	70%	0.699	S	S	.	*	S	Bend	trans	-109.1	1.1	-175.8	-65.2	176.2	0	0	0	113.3
272	E	28.5	Very low	27.8	Very low	182 Å²	182	128.3 Å²	128.3	85%	0.85	70%	0.702	S	S	*	*	S	Bend	trans	-111.3	0.3	175.1	-129.7	169.1	-167.7	0	0	115.3
273	M	27.1	Very low	27.8	Very low	178 Å²	178	128.4 Å²	128.4	88%	0.877	71%	0.705	S	S	*	*	S	Bend	trans	-109.8	7	165.3	-80.4	-174.5	179.1	0	0	114
274	N	28.4	Very low	27.7	Very low	128 Å²	128	133.7 Å²	133.7	68%	0.684	73%	0.733	S	S	*	*	S	Bend	trans	-110.5	17.2	174.8	-80.9	-45.3	0	0	0	113.7	L270	L270-N274 PolarHBondContact O-ND2 2.96Å; L270-N274 VanDerWaalsContact O-ND2 3.14Å
275	K	29.4	Very low	27.8	Very low	165 Å²	165	134.8 Å²	134.8	72%	0.717	74%	0.735	S	S	*	*	S	Bend	trans	-114.4	11.9	178.3	-79.3	-176.7	176.8	177.4	0	115.2
276	I	28.2	Very low	27.7	Very low	158 Å²	158	138.5 Å²	138.5	81%	0.81	75%	0.748	S	S	*	*	S	Bend	trans	-130.1	50.9	170.1	-46.2	178.7	0	0	0	109.8
277	T	29	Very low	27.7	Very low	128 Å²	128	141.5 Å²	141.5	79%	0.785	76%	0.755	S	S	*	*			trans	-157.9	49.7	152.6	-15.4	0	0	0	0	110.9	C279	T277-C279 PolarHBondContact O-N 2.9Å
278	E	25.2	Very low	27.9	Very low	196 Å²	196	147.4 Å²	147.4	92%	0.916	77%	0.766	S	S	*	*			trans	-73.2	85.9	152.1	-79.4	-170.9	170.3	0	0	107.9
279	C	26.4	Very low	27.8	Very low	109 Å²	109	152.3 Å²	152.3	74%	0.736	78%	0.779	S	S	*	*			trans	-130.9	102	158.4	-97.3	0	0	0	0	108.7	T277	T277-C279 PolarHBondContact O-N 2.9Å
280	S	27.2	Very low	27.8	Very low	120 Å²	120	150.5 Å²	150.5	84%	0.839	78%	0.784	S	S	*	*			trans	91.5	125.1	155.9	71.3	0	0	0	0	118.8
281	P	27.1	Very low	27.6	Very low	114 Å²	114	152 Å²	152	74%	0.74	79%	0.793	S	S	*	*			trans	-106.5	148	-167.9	39.6	-29.3	0	0	0	112.2
282	T	28.1	Very low	27.5	Very low	141 Å²	141	154.6 Å²	154.6	87%	0.865	81%	0.807	S	S	*	*			trans	171.1	133.1	151.8	17.7	0	0	0	0	106.8
283	S	27.9	Very low	27.3	Very low	89 Å²	89	152.2 Å²	152.2	62%	0.622	80%	0.8	S	S	*	*			cis	-165.9	157.4	3.7	-76.8	0	0	0	0	107.5
284	L	28.8	Very low	27.2	Very low	155 Å²	155	150.8 Å²	150.8	81%	0.812	79%	0.789	S	S	*	*			trans	83.6	95.8	158.8	-66.4	127.1	0	0	0	116.7
285	K	26	Very low	27	Very low	179 Å²	179	152.5 Å²	152.5	78%	0.778	79%	0.793	S	S	*	*				71	100.2	71.5	-74.5	-172.8	176.3	179	0	113.6
286	R	27.9	Very low	26.9	Very low	219 Å²	219	153.8 Å²	153.8	83%	0.826	80%	0.799	S	S	*	*				161.7	111.2	107.3	-89	170	-169.7	-178.1	3.4	108.3
287	Q	25.9	Very low	26.9	Very low	165 Å²	165	154.5 Å²	154.5	77%	0.771	80%	0.796	S	S	*	*				56.7	106.1	87.9	-104.8	178	-24.1	0	0	111.8
288	E	29.6	Very low	26.6	Very low	184 Å²	184	159.3 Å²	159.3	86%	0.86	80%	0.8	S	S	*	*				-175.6	130.8	98.5	-98.1	166.2	-170.8	0	0	112.5
289	Q	25.8	Very low	26.7	Very low	194 Å²	194	158.4 Å²	158.4	91%	0.907	80%	0.796	S	S	*	*			trans	-70.4	141.8	169.5	-73.2	151.9	-56.7	0	0	110.3
290	S	29.2	Very low	26.7	Very low	121 Å²	121	159.1 Å²	159.1	85%	0.846	80%	0.797	S	S	*	*			trans	-156.8	125.5	142.8	50.3	0	0	0	0	111.5
291	N	24.6	Very low	26.6	Very low	160 Å²	160	163 Å²	163	86%	0.856	80%	0.798	S	S	*	*			trans	-66.9	135.8	163.1	-77.8	-45.7	0	0	0	110.2
292	L	28.2	Very low	26.5	Very low	162 Å²	162	163.2 Å²	163.2	85%	0.848	80%	0.8	S	S	*	*			trans	-177.6	111.2	150.9	-128.8	69.5	0	0	0	105.2
293	D	24.1	Very low	26.4	Very low	131 Å²	131	162.2 Å²	162.2	70%	0.701	80%	0.797	S	S	*	*				62.3	139.3	61.6	-139.4	6.4	0	0	0	113.1
294	F	24.4	Very low	26.3	Very low	149 Å²	149	162.7 Å²	162.7	65%	0.654	80%	0.8	S	S	*	*			trans	76.2	111.3	170.1	-68	-90.8	0	0	0	120.8
295	Q	23.9	Very low	26.2	Very low	164 Å²	164	161.2 Å²	161.2	77%	0.766	80%	0.798	S	S	*	*				41.9	97	114.6	-99.4	156.3	-27	0	0	117
296	K	28.1	Very low	26.1	Very low	191 Å²	191	160.2 Å²	160.2	83%	0.83	80%	0.8	S	S	*	*			trans	-147	104.2	145.6	-105.6	163.7	-175.2	-178	0	110.6
297	F	27	Very low	26	Very low	174 Å²	174	157.6 Å²	157.6	76%	0.763	80%	0.797	S	S	*	*				86	98.1	95.2	-95.1	-90.9	0	0	0	109.8
298	R	24.4	Very low	25.9	Very low	229 Å²	229	156 Å²	156	86%	0.864	80%	0.798	S	S	*	*				43.5	110.6	88.1	-92.6	-172	-178.9	178.4	1.5	112.3
299	E	27.3	Very low	25.7	Very low	176 Å²	176	154.1 Å²	154.1	82%	0.822	79%	0.793	S	S	*	*				-174.3	109.4	128.9	-100.6	166.4	-164.1	0	0	109.1
300	V	25.7	Very low	25.7	Very low	125 Å²	125	148.4 Å²	148.4	76%	0.758	78%	0.779	S	S	*	*				80.6	102.4	87.9	174.4	0	0	0	0	113.1
301	K	24.9	Very low	25.5	Very low	202 Å²	202	148 Å²	148	88%	0.878	78%	0.776	S	S	*	*				-174.8	116.2	115.9	-101.2	-176.3	-176.4	179.6	0	111.2
302	P	24.8	Very low	25.5	Very low	118 Å²	118	146.3 Å²	146.3	77%	0.766	77%	0.774	S	S	*	*			trans	-97.4	132.1	157	34.1	-24	0	0	0	109.7
303	C	25.2	Very low	25.5	Very low	119 Å²	119	149.2 Å²	149.2	80%	0.804	77%	0.774	S	S	*	*			trans	-176.2	108	161.5	-107.9	0	0	0	0	107.5
304	S	26.8	Very low	25.7	Very low	100 Å²	100	150.2 Å²	150.2	70%	0.699	78%	0.779	S	S	*	*				93.5	149.1	78.2	67.4	0	0	0	0	111.4
305	T	26	Very low	26	Very low	124 Å²	124	148.1 Å²	148.1	76%	0.761	78%	0.783	S	S	*	*			trans	97.2	81	-172.7	-36.8	0	0	0	0	111.8
306	L	23.5	Very low	26.2	Very low	158 Å²	158	145 Å²	145	83%	0.827	78%	0.779	S	S	*	*				37.3	94.7	69.1	-86	173.1	0	0	0	112.3
307	Q	25.9	Very low	26.3	Very low	163 Å²	163	144.7 Å²	144.7	76%	0.762	78%	0.78	S	S	*	*			trans	-158.8	111.3	130.6	-123.1	171.1	-8.6	0	0	111.8	I309	Q307-I309 HydrophobicContact CB-CG1 4.17Å; Q307-I309 PolarHBondContact O-N 3Å
308	V	24.1	Very low	26.6	Very low	131 Å²	131	140.6 Å²	140.6	79%	0.794	77%	0.773	S	S	*	*			trans	-41.8	116.7	144.5	175.3	0	0	0	0	108
309	I	25.8	Very low	26.8	Very low	145 Å²	145	137 Å²	137	74%	0.744	77%	0.771	S	S	*	*			trans	-126.1	93.3	163.1	-58.5	-178.2	0	0	0	106.6	Q307	Q307-I309 HydrophobicContact CB-CG1 4.17Å; Q307-I309 PolarHBondContact O-N 3Å
310	A	25.5	Very low	27.1	Very low	75 Å²	75	136 Å²	136	62%	0.62	77%	0.77	S	S	*	*			trans	-57.8	154.9	167.9	0	0	0	0	0	111.3
311	S	24.5	Very low	27.3	Very low	112 Å²	112	137.6 Å²	137.6	78%	0.783	77%	0.769	S	S	*	*			trans	-27.2	131.5	163.8	-53.8	0	0	0	0	114.4	R313	S311-R313 PolarHBondContact O-N 2.72Å
312	P	25.3	Very low	27.5	Very low	124 Å²	124	135.4 Å²	135.4	81%	0.805	76%	0.762	S	S	*	*			trans	-90.8	95.1	164.7	32.8	-24.6	0	0	0	108.2
313	R	28.3	Very low	27.7	Very low	224 Å²	224	135.8 Å²	135.8	85%	0.845	76%	0.762	S	S	*	*			trans	-147.1	98.3	156.4	-73.4	-164.1	-177.6	164.2	1.1	110.1	S311	S311-R313 PolarHBondContact O-N 2.72Å
314	N	29	Very low	27.6	Very low	151 Å²	151	140.2 Å²	140.2	81%	0.807	76%	0.762	S	S	*	*			trans	59.7	134.8	130.7	-61.1	-6.7	0	0	0	121
315	S	29.1	Very low	27.9	Very low	105 Å²	105	141 Å²	141	73%	0.734	76%	0.758	S	S	*	*			trans	79.3	93.6	148.5	48.5	0	0	0	0	119.7
316	S	29.9	Very low	28.1	Very low	99 Å²	99	141 Å²	141	69%	0.692	75%	0.753	S	S	*	*				35.2	116.7	122.8	57.1	0	0	0	0	119
317	E	30.2	Very low	28.4	Very low	184 Å²	184	140 Å²	140	86%	0.86	75%	0.748	S	S	*	*				78.8	109.4	90.4	-148.9	173.9	-155.9	0	0	110.5
318	S	31.8	Very low	28.6	Very low	88 Å²	88	139.7 Å²	139.7	62%	0.615	75%	0.747	S	S	*	*				171.1	146.7	76.4	40.4	0	0	0	0	109.6
319	D	30	Very low	28.8	Very low	154 Å²	154	138.5 Å²	138.5	82%	0.824	75%	0.745	S	S	*	*	S	Bend	trans	-159.7	65.1	146.1	-108.3	-16.1	0	0	0	108.6
320	I	32.4	Very low	29.2	Very low	154 Å²	154	137.2 Å²	137.2	79%	0.79	75%	0.746	S	S	*	*	S	Bend		-128.3	113.2	126.4	-67.7	-176.1	0	0	0	104.2
321	E	29.4	Very low	29.3	Very low	159 Å²	159	139.3 Å²	139.3	74%	0.743	75%	0.751	S	S	*	*	S	Bend	trans	76.9	85.4	171.2	-74.1	170.5	155.9	0	0	119.4
322	Q	29.9	Very low	29.3	Very low	156 Å²	156	140.7 Å²	140.7	73%	0.729	75%	0.748	S	S	*	*				135.2	114.5	109.5	-84.7	-178.3	6.1	0	0	114.8
323	V	28.7	Very low	29.4	Very low	127 Å²	127	142.3 Å²	142.3	77%	0.77	75%	0.745	S	S	*	*			trans	73.8	86	146.3	-171.2	0	0	0	0	114.8
324	R	24.5	Very low	29.3	Very low	212 Å²	212	138.1 Å²	138.1	80%	0.8	74%	0.739	S	S	*	*				57.7	122.8	82.3	-143.6	-161	-152.8	110.3	5	113.5
325	N	31.3	Very low	29.3	Very low	115 Å²	115	136.5 Å²	136.5	62%	0.615	73%	0.73	S	S	*	*			trans	106.5	110.6	148.6	-67.1	-27.9	0	0	0	118.8
326	N	31.9	Very low	29.2	Very low	124 Å²	124	141 Å²	141	66%	0.663	73%	0.731	S	S	*	*				95.5	102.1	120.4	-64.7	-10.6	0	0	0	119.3
327	L	28.7	Very low	29.2	Very low	137 Å²	137	142.6 Å²	142.6	72%	0.717	73%	0.731	S	S	*	*				73.4	141.5	110.6	-76.2	155.7	0	0	0	120.6
328	Q	30.7	Very low	29.3	Very low	157 Å²	157	139.3 Å²	139.3	73%	0.734	72%	0.719	S	S	*	*			trans	86.9	97.7	148.5	-113.1	100.3	10.5	0	0	119.5
329	S	28	Very low	29.1	Very low	107 Å²	107	141.8 Å²	141.8	75%	0.748	73%	0.726	S	S	*	*				8.4	171.8	123.5	-29.2	0	0	0	0	120.8
330	P	33.7	Very low	29.2	Very low	118 Å²	118	142.7 Å²	142.7	77%	0.766	72%	0.722	S	S	*	*				-112.3	-164.2	-90.9	33.4	-12.1	0	0	0	110.4
331	V	27.4	Very low	29	Very low	119 Å²	119	145 Å²	145	72%	0.721	72%	0.722	S	S	*	*			trans	136.2	113.6	152.6	170.1	0	0	0	0	112.3
332	I	25.1	Very low	28.7	Very low	141 Å²	141	144.9 Å²	144.9	72%	0.723	73%	0.727	S	S	*	*			trans	42.9	141.7	131.2	-43.4	174.9	0	0	0	119.2
333	E	27.4	Very low	28.7	Very low	158 Å²	158	145.8 Å²	145.8	74%	0.738	73%	0.732	S	S	*	*			trans	113.6	96	140.1	-116.6	156.9	-130.6	0	0	116.8
334	N	25.5	Very low	28.5	Very low	136 Å²	136	147.3 Å²	147.3	73%	0.727	74%	0.735	S	S	*	*				61	157	123	-65.8	-21.9	0	0	0	120.8
335	D	29.1	Very low	28.6	Very low	117 Å²	117	143.7 Å²	143.7	63%	0.626	74%	0.736	S	S	*	*			trans	83.1	99.7	150.2	-84.5	19.9	0	0	0	116.5
336	R	28.1	Very low	28.3	Very low	199 Å²	199	148 Å²	148	75%	0.751	75%	0.749	S	S	*	*				146.7	139	82.8	-96.1	167.1	-174.6	-170.4	-4.6	113.4
337	L	29.1	Very low	28	Very low	132 Å²	132	150.2 Å²	150.2	69%	0.691	76%	0.76	S	S	*	*			trans	67.2	137.3	143.4	-83.7	75	0	0	0	116.4
338	D	31.9	Very low	27.7	Very low	115 Å²	115	146.8 Å²	146.8	62%	0.615	76%	0.757	S	S	*	*			cis	-166.6	137	13.1	-118.8	-23.3	0	0	0	110.3
339	N	29.4	Very low	27.4	Very low	141 Å²	141	143.3 Å²	143.3	75%	0.754	75%	0.749	S	S	*	*			trans	33.2	124.5	131.8	-69	-42.3	0	0	0	119.5
340	K	31.5	Very low	27.2	Very low	172 Å²	172	145.7 Å²	145.7	75%	0.748	75%	0.754	S	S	*	*				175.4	143.9	90.9	-139.2	165.8	178.4	178.1	0	112
341	Y	28	Very low	26.8	Very low	202 Å²	202	146.2 Å²	146.2	79%	0.792	76%	0.755	S	S	*	*			trans	95.7	84.8	168.8	-64.1	-78.6	0	0	0	118.4
342	N	24	Very low	26.7	Very low	158 Å²	158	146.6 Å²	146.6	85%	0.845	76%	0.758	S	S	*	*			trans	-60.9	141.2	151.5	-80	-31.2	0	0	0	111.5
343	E	29.6	Very low	26.6	Very low	175 Å²	175	146.8 Å²	146.8	82%	0.818	76%	0.76	S	S	*	*				-174	105.4	126.1	-102.7	174.4	-170.2	0	0	111.6
344	N	23.9	Very low	26.5	Very low	158 Å²	158	145.7 Å²	145.7	85%	0.845	76%	0.759	S	S	*	*			trans	36.3	98.9	143.7	-54.1	-30.3	0	0	0	120.9
345	V	26.4	Very low	26.4	Very low	136 Å²	136	148.2 Å²	148.2	82%	0.824	76%	0.759	S	S	*	*			trans	-135.7	119.5	149.8	-178.4	0	0	0	0	110.7	I347	V345-I347 PolarHBondContact O-N 2.9Å
346	K	24.4	Very low	26.2	Very low	205 Å²	205	150.8 Å²	150.8	89%	0.891	77%	0.768	S	S	*	*			trans	-53.1	122.8	172	-86.4	170.2	167.1	174.4	0	111.5
347	I	25.6	Very low	26.1	Very low	172 Å²	172	147.3 Å²	147.3	88%	0.882	77%	0.769	S	S	*	*			trans	-92.1	99.1	161.5	-59.3	175.1	0	0	0	107.1	V345	V345-I347 PolarHBondContact O-N 2.9Å
348	G	24.1	Very low	25.8	Very low	64 Å²	64	146.2 Å²	146.2	66%	0.66	77%	0.771	S	S	*	*			trans	-82.5	130.4	169.3	0	0	0	0	0	110.2	N350	G348-N350 PolarHBondContact O-N 3.27Å; G348-N350 VanDerWaalsContact O-N 3.16Å
349	C	23.5	Very low	25.4	Very low	84 Å²	84	146.3 Å²	146.3	57%	0.568	78%	0.781	S	S	*	*			trans	-67.8	101.5	173.9	32.5	0	0	0	0	111
350	N	24.5	Very low	25.3	Very low	157 Å²	157	146.3 Å²	146.3	84%	0.84	78%	0.779	S	S	*	*			trans	-142.1	77	162.7	-88.7	-17.6	0	0	0	107.4	G348	G348-N350 PolarHBondContact O-N 3.27Å; G348-N350 VanDerWaalsContact O-N 3.16Å
351	T	25.2	Very low	25	Very low	130 Å²	130	146.6 Å²	146.6	80%	0.798	78%	0.783	S	S	*	*			trans	-102.4	94.2	171	-24.6	0	0	0	0	108	L353	T351-L353 PolarHBondContact O-N 2.8Å; T351-L353 VanDerWaalsContact O-N 3.14Å
352	T	24.1	Very low	25	Very low	127 Å²	127	145.3 Å²	145.3	78%	0.779	78%	0.784	S	S	*	*			trans	-64.3	105.3	163.9	-47.6	0	0	0	0	107.5	N354	T352-N354 PolarHBondContact O-N 3.23Å
353	L	23.8	Very low	25.1	Very low	145 Å²	145	146 Å²	146	76%	0.759	78%	0.782	S	S	*	*			trans	-70.2	98.6	170	-98.6	154.9	0	0	0	108.2	T351 Y355	T351-L353 PolarHBondContact O-N 2.8Å; T351-L353 VanDerWaalsContact O-N 3.14Å; L353-Y355 PolarHBondContact O-N 3.44Å
354	N	24.2	Very low	25	Very low	134 Å²	134	144.8 Å²	144.8	72%	0.717	78%	0.781	S	S	*	*			trans	-69.2	106	169.5	-125.1	-6.5	0	0	0	107.8	T352 Q356	T352-N354 PolarHBondContact O-N 3.23Å; N354-Q356 VanDerWaalsContact C-N 3.28Å; N354-Q356 PolarHBondContact O-N 2.99Å
355	Y	24.7	Very low	25.2	Very low	189 Å²	189	142 Å²	142	74%	0.741	77%	0.773	S	S	*	*			trans	-72	88.7	166.3	-86.7	-86.6	0	0	0	108.9	L353	L353-Y355 PolarHBondContact O-N 3.44Å
356	Q	25.1	Very low	25.2	Very low	172 Å²	172	141.1 Å²	141.1	80%	0.804	77%	0.774	S	S	*	*			trans	-80.9	100.8	153.3	-86	175.4	-50	0	0	107.5	N354 C358	N354-Q356 VanDerWaalsContact C-N 3.28Å; N354-Q356 PolarHBondContact O-N 2.99Å; Q356-C358 PolarHBondContact O-N 3.24Å
357	T	25.9	Very low	25.7	Very low	126 Å²	126	136.1 Å²	136.1	77%	0.773	76%	0.764	S	S	*	*			trans	-69.1	96.2	161.2	31.1	0	0	0	0	108.3
358	C	22.7	Very low	25.9	Very low	108 Å²	108	134.7 Å²	134.7	73%	0.73	76%	0.758	S	S	*	*			trans	-97.1	102.9	165.6	-135.1	0	0	0	0	107.3	Q356 I360	Q356-C358 PolarHBondContact O-N 3.24Å; C358-I360 PolarHBondContact O-N 2.72Å
359	S	22.6	Very low	26.4	Very low	118 Å²	118	137.9 Å²	137.9	83%	0.825	76%	0.76	S	S	*	*			trans	-68.5	109	165.7	-54.2	0	0	0	0	108.1
360	I	28	Very low	26.7	Very low	141 Å²	141	141 Å²	141	72%	0.723	76%	0.764	S	S	*	*			trans	-129.5	96.2	161.5	-57.8	179	0	0	0	106.7	C358 H362	C358-I360 PolarHBondContact O-N 2.72Å; I360-H362 PolarHBondContact O-N 2.68Å
361	E	23.6	Very low	26.8	Very low	177 Å²	177	142.1 Å²	142.1	83%	0.827	76%	0.757	S	S	*	*			trans	-60.4	113.2	152.5	-66.8	178.2	172.3	0	0	107
362	H	28.8	Very low	27.1	Very low	176 Å²	176	140.2 Å²	140.2	82%	0.815	75%	0.745	S	S	*	*			trans	-172.7	122.2	133.9	-93.6	-52.7	0	0	0	110	I360 N364	I360-H362 PolarHBondContact O-N 2.68Å; H362-N364 PolarHBondContact O-N 2.84Å
363	H	26.5	Very low	27.4	Very low	173 Å²	173	140 Å²	140	80%	0.801	74%	0.739	S	S	*	*			trans	-48.8	119.7	165.3	-67.7	-92.3	0	0	0	111
364	N	26.4	Very low	27.6	Very low	149 Å²	149	138.8 Å²	138.8	80%	0.797	73%	0.729	S	S	*	*				167.4	149	115.6	-86.7	-26.3	0	0	0	112.2	H362	H362-N364 PolarHBondContact O-N 2.84Å
365	S	29.3	Very low	27.8	Very low	98 Å²	98	138.4 Å²	138.4	69%	0.685	73%	0.727	S	S	*	*			trans	85	72.4	162.1	76	0	0	0	0	117.8	S367	S365-S367 PolarHBondContact O-N 2.7Å
366	S	27.1	Very low	28.1	Very low	119 Å²	119	135 Å²	135	83%	0.832	72%	0.72	S	S	*	*				-6.9	102.9	125.6	53.8	0	0	0	0	115.8
367	S	33.9	Very low	28.2	Very low	100 Å²	100	131.7 Å²	131.7	70%	0.699	72%	0.717	S	S	*	*	S	Bend	trans	178.7	-17.1	148.9	38.6	0	0	0	0	113.5	S365	S365-S367 PolarHBondContact O-N 2.7Å
368	L	30.6	Very low	28.4	Very low	142 Å²	142	134.9 Å²	134.9	74%	0.743	72%	0.723	S	S	*	*	S	Bend	trans	-95.8	-20.5	179.5	-94.4	136.6	0	0	0	115.3	K370	L368-K370 VanDerWaalsContact C-N 3.28Å; L368-K370 PolarHBondContact O-N 3.02Å
369	N	33	Very low	28.8	Very low	131 Å²	131	135.4 Å²	135.4	70%	0.701	71%	0.714	S	S	*	*	H	α-helix	trans	-75.7	-9.1	-179.4	-81.9	-20.9	0	0	0	114.6	L373	N369-L373 WeakPolarHBondContact O-CB 3.01Å; N369-L373 WeakPolarHBondContact O-CD1 3.31Å
370	K	30.9	Very low	29.2	Very low	150 Å²	150	134.4 Å²	134.4	65%	0.652	71%	0.707	S	S	*	*	H	α-helix	trans	-81.8	-31.5	178.4	-159.6	173.9	179.2	-176.3	0	113.1	L368 E374	L368-K370 VanDerWaalsContact C-N 3.28Å; L368-K370 PolarHBondContact O-N 3.02Å; K370-E374 WeakPolarHBondContact O-CG 2.87Å; K370-E374 PolarHBondContact O-N 2.92Å
371	Y	25.8	Very low	29.7	Very low	180 Å²	180	132.1 Å²	132.1	71%	0.706	70%	0.696	S	S	*	*	H	α-helix	trans	-82.9	-22.1	-177	-122.2	-88	0	0	0	114.2	N375	Y371-N375 PolarHBondContact O-ND2 3.29Å
372	V	31.7	Very low	30.3	Very low	90 Å²	90	125.8 Å²	125.8	55%	0.545	67%	0.672	S	S	.	*	H	α-helix	trans	-90	-30.9	178.1	-178.9	0	0	0	0	111.5	I376	V372-I376 HydrophobicContact CG1-CD1 4.46Å; V372-I376 WeakPolarHBondContact O-CD1 3.11Å; V372-I376 WeakPolarHBondContact O-CG1 3.25Å
373	L	30.7	Very low	30.4	Very low	123 Å²	123	122.5 Å²	122.5	64%	0.644	66%	0.659	S	S	*	*	H	α-helix	trans	-77.3	-26.1	174.9	-84.7	157.6	0	0	0	113.3	N369	N369-L373 WeakPolarHBondContact O-CB 3.01Å; N369-L373 WeakPolarHBondContact O-CD1 3.31Å
374	E	27.1	Very low	31.1	Very low	118 Å²	118	117.9 Å²	117.9	55%	0.551	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-20.5	177	-84.3	174.4	174.1	0	0	113.8	K370	K370-E374 WeakPolarHBondContact O-CG 2.87Å; K370-E374 PolarHBondContact O-N 2.92Å
375	N	29.2	Very low	31.6	Very low	127 Å²	127	114 Å²	114	68%	0.679	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-5.8	-179.7	-70.7	-54.9	0	0	0	114.7	Y371	Y371-N375 PolarHBondContact O-ND2 3.29Å
376	I	31.4	Very low	32.2	Very low	116 Å²	116	112.5 Å²	112.5	60%	0.595	60%	0.603	S	S	*	*	S	Bend	trans	-91.1	-8	175.1	-62.7	168.8	0	0	0	110.8	V372 Q378	V372-I376 HydrophobicContact CG1-CD1 4.46Å; V372-I376 WeakPolarHBondContact O-CD1 3.11Å; V372-I376 WeakPolarHBondContact O-CG1 3.25Å; I376-Q378 VanDerWaalsContact C-N 3.27Å; I376-Q378 PolarHBondContact O-N 3.48Å; I376-Q378 VanDerWaalsContact O-N 3.08Å
377	S	26.6	Very low	32.7	Very low	104 Å²	104	113.9 Å²	113.9	73%	0.727	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	25.4	-171.7	-138.3	0	0	0	0	115.8
378	Q	30.5	Very low	32.9	Very low	192 Å²	192	118.5 Å²	118.5	90%	0.897	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119	-3.2	175.1	-69.3	-168	-8.2	0	0	114.9	I376	I376-Q378 VanDerWaalsContact C-N 3.27Å; I376-Q378 PolarHBondContact O-N 3.48Å; I376-Q378 VanDerWaalsContact O-N 3.08Å
379	Q	30.5	Very low	32.9	Very low	119 Å²	119	120.2 Å²	120.2	56%	0.556	61%	0.606	S	S	*	*	S	Bend	trans	-135.4	110.8	173.1	-71.2	179.1	-7.4	0	0	109.5	L381	Q379-L381 VanDerWaalsContact C-N 3.27Å; Q379-L381 HydrophobicContact CB-CG 4.36Å; Q379-L381 PolarHBondContact O-N 2.88Å
380	S	32.3	Very low	32.7	Very low	97 Å²	97	123.4 Å²	123.4	68%	0.678	61%	0.614	S	S	*	*			trans	-70.5	81.9	177.1	-49.4	0	0	0	0	110.2
381	L	38.2	Very low	32.6	Very low	94 Å²	94	124.6 Å²	124.6	49%	0.492	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.3	124.2	174.8	-65.1	176.4	0	0	0	109.2	Q379 E400 H402	Q379-L381 VanDerWaalsContact C-N 3.27Å; Q379-L381 HydrophobicContact CB-CG 4.36Å; Q379-L381 PolarHBondContact O-N 2.88Å; L381-E400 WeakPolarHBondContact CD2-OE1 2.96Å; L381-H402 HydrophobicContact CD2-CB 3.53Å
382	S	34.9	Very low	33	Very low	44 Å²	44	119.1 Å²	119.1	31%	0.308	63%	0.625	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125	112.5	174.2	58.2	0	0	0	0	109.7	H384 I401	S382-H384 PolarHBondContact O-N 3.5Å; S382-H384 PolarHBondContact O-ND1 2.96Å; S382-H384 PolarHBondContact OG-CE1 2.68Å; S382-H384 VanDerWaalsContact OG-CE1 3.27Å; S382-I401 PolarHBondContact N-O 2.92Å; S382-I401 PolarHBondContact O-N 2.89Å; S382-I401 PolarHBondContact OG-O 3.06Å; S382-I401 VanDerWaalsContact OG-O 3.04Å
383	I	31.8	Very low	33.2	Very low	106 Å²	106	120.8 Å²	120.8	54%	0.544	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.8	114.8	175.7	-59.4	171.9	0	0	0	106.8	V385	I383-V385 HydrophobicContact CG2-CG2 4.32Å
384	H	41.1	Very low	34	Very low	77 Å²	77	119.2 Å²	119.2	36%	0.356	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.6	115	176.4	-73.8	70.3	0	0	0	108.6	S382 T399	S382-H384 PolarHBondContact O-N 3.5Å; S382-H384 PolarHBondContact O-ND1 2.96Å; S382-H384 PolarHBondContact OG-CE1 2.68Å; S382-H384 VanDerWaalsContact OG-CE1 3.27Å; H384-T399 PolarHBondContact N-O 3.31Å; H384-T399 PolarHBondContact O-N 2.96Å; H384-T399 VanDerWaalsContact O-O 3.07Å; H384-T399 PolarHBondContact O-OG1 3.18Å
385	V	36.3	Very low	35.1	Very low	68 Å²	68	117.1 Å²	117.1	41%	0.412	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.7	95.6	170.5	179.7	0	0	0	0	106.4	I383 K387	I383-V385 HydrophobicContact CG2-CG2 4.32Å; V385-K387 VanDerWaalsContact C-N 3.33Å; V385-K387 HydrophobicContact CG1-CD 3.88Å; V385-K387 HydrophobicContact CG1-CG 3.88Å; V385-K387 PolarHBondContact O-N 3.08Å
386	D	42.3	Very low	36.3	Very low	65 Å²	65	113.1 Å²	113.1	35%	0.348	59%	0.592	S	S	.	*			trans	-79.3	82.5	-178.9	-77.1	-31.1	0	0	0	109.8	Y427	D386-Y427 HydrophobicContact CB-CE1 4.31Å; D386-Y427 WeakPolarHBondContact CB-OH 3.37Å; D386-Y427 PolarHBondContact OD2-OH 3.14Å
387	K	38	Very low	37.9	Very low	149 Å²	149	107.9 Å²	107.9	65%	0.648	57%	0.565	S	S	*	*			trans	-97.4	85	171	-76.5	172.6	-177	-179.2	0	109.9	V385	V385-K387 VanDerWaalsContact C-N 3.33Å; V385-K387 HydrophobicContact CG1-CD 3.88Å; V385-K387 HydrophobicContact CG1-CG 3.88Å; V385-K387 PolarHBondContact O-N 3.08Å
388	K	37.6	Very low	40	Very low	197 Å²	197	107.3 Å²	107.3	86%	0.857	55%	0.55	S	S	*	*			trans	-100.4	92.4	161.4	-81.6	-171.4	177.3	178.6	0	109.2	K390	K388-K390 PolarHBondContact O-N 3.42Å
389	Q	31.3	Very low	42.4	Very low	178 Å²	178	98.1 Å²	98.1	83%	0.832	51%	0.508	S	S	*	.			trans	-69.3	115.4	177.7	-72.3	175.8	-17.7	0	0	111.1
390	K	29.4	Very low	44.7	Very low	198 Å²	198	93.9 Å²	93.9	86%	0.861	49%	0.488	S	S	*	.	S	Bend	trans	-138.1	104.5	147.7	-84.4	-173	175.3	-179.4	0	106.4	K388	K388-K390 PolarHBondContact O-N 3.42Å
391	N	28.4	Very low	47.2	Very low	174 Å²	174	90.4 Å²	90.4	93%	0.93	46%	0.461	S	S	*	.	S	Bend	trans	40	99.9	163.4	-58.4	-6.9	0	0	0	117.5
392	G	33.3	Very low	49.5	Very low	65 Å²	65	86.3 Å²	86.3	67%	0.67	44%	0.44	S	S	*	.	S	Bend	trans	135	133.9	165.9	0	0	0	0	0	113.1	E394	G392-E394 VanDerWaalsContact C-N 3.33Å; G392-E394 PolarHBondContact O-N 2.95Å
393	E	36.4	Very low	52.1	Low	125 Å²	125	87.2 Å²	87.2	58%	0.584	44%	0.443	S	S	*	.			trans	-69	80.5	179	-63.3	120.6	152.2	0	0	112.3	G49	G49-E393 WeakPolarHBondContact CA-OE1 3.33Å; G49-E393 WeakPolarHBondContact CA-OE2 3.44Å; G49-E393 VanDerWaalsContact O-OE1 3.13Å
394	E	47	Very low	54.8	Low	91 Å²	91	82.5 Å²	82.5	43%	0.425	42%	0.42	S	S	.	.			trans	-90.6	129.4	164.1	-78.9	174.1	158.9	0	0	109.4	G392 A396 K429	G392-E394 VanDerWaalsContact C-N 3.33Å; G392-E394 PolarHBondContact O-N 2.95Å; E394-A396 PolarHBondContact O-N 3.11Å; E394-K429 WeakPolarHBondContact OE1-CE 3.19Å; E394-K429 IonicContact OE1-NZ 3.46Å
395	E	50.2	Low	57.1	Low	73 Å²	73	85.9 Å²	85.9	34%	0.341	44%	0.435	S	S	.	.			trans	-50.7	104.6	172.8	-76.5	-172	157.4	0	0	108.6	E397 K500	E395-E397 PolarHBondContact O-N 2.8Å; E395-E397 VanDerWaalsContact O-N 3.08Å; E395-K500 IonicContact OE1-NZ 2.83Å; E395-K500 PolarHBondContact OE1-NZ 3.28Å; E395-K500 IonicContact OE2-NZ 3.56Å; E395-K500 PolarHBondContact OE2-NZ 3.01Å
396	A	55.3	Low	59.5	Low	44 Å²	44	83 Å²	83	36%	0.364	42%	0.417	S	S	.	.			trans	-52.5	122.3	179.8	0	0	0	0	0	109.3	E394 E398	E394-A396 PolarHBondContact O-N 3.11Å; A396-E398 PolarHBondContact O-N 3.04Å
397	E	65.3	Low	61.6	Low	6 Å²	6	84.6 Å²	84.6	3%	0.028	43%	0.43	C	S	.	.			trans	-70.5	104.6	174.4	-66	-161.2	152.1	0	0	108.6	E395 T399 P426 Y493 L498	E395-E397 PolarHBondContact O-N 2.8Å; E395-E397 VanDerWaalsContact O-N 3.08Å; E397-T399 HydrophobicContact CB-CG2 4.16Å; E397-T399 PolarHBondContact O-N 3.32Å; E397-P426 VanDerWaalsContact CD-CG 3.43Å; E397-P426 HydrophobicContact CG-CB 4.04Å; E397-P426 HydrophobicContact CG-CG 4.3Å; E397-P426 WeakPolarHBondContact OE1-CB 3.48Å; E397-P426 WeakPolarHBondContact OE1-CG 3.44Å; E397-P426 WeakPolarHBondContact OE2-CG 3.38Å; E397-Y493 VanDerWaalsContact OE2-CE1 3.3Å; E397-Y493 WeakPolarHBondContact OE2-CE1 3.1Å; E397-L498 WeakPolarHBondContact OE1-CB 3.44Å
398	E	70.6	Confident	63.7	Low	91 Å²	91	79.3 Å²	79.3	43%	0.425	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	120.7	167.5	-65.1	-177.4	174.8	0	0	108.7	A396 L494 C495	A396-E398 PolarHBondContact O-N 3.04Å; E398-L494 HydrophobicContact CB-CB 4.3Å; E398-L494 WeakPolarHBondContact O-CB 3.47Å; E398-L494 PolarHBondContact O-N 3.17Å; E398-C495 WeakPolarHBondContact CB-SG 3.45Å; E398-C495 WeakPolarHBondContact CG-SG 3.42Å; E398-C495 PolarHBondContact O-N 3.37Å
399	T	79.5	Confident	65.7	Low	0 Å²	0	73.4 Å²	73.4	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.5	-177.8	69	0	0	0	0	111.3	H384 E397 K491 R492 Y493	H384-T399 PolarHBondContact N-O 3.31Å; H384-T399 PolarHBondContact O-N 2.96Å; H384-T399 VanDerWaalsContact O-O 3.07Å; H384-T399 PolarHBondContact O-OG1 3.18Å; E397-T399 HydrophobicContact CB-CG2 4.16Å; E397-T399 PolarHBondContact O-N 3.32Å; T399-K491 VanDerWaalsContact CB-CE 3.46Å; T399-K491 VanDerWaalsContact OG1-CE 3.3Å; T399-K491 WeakPolarHBondContact OG1-CE 3.32Å; T399-R492 CarbonylContact C-O 3.6Å; T399-R492 WeakPolarHBondContact CA-O 3.43Å; T399-R492 WeakPolarHBondContact CB-O 3.21Å; T399-Y493 HydrophobicContact CG2-CD1 3.67Å; T399-Y493 HydrophobicContact CG2-CE1 3.87Å; T399-Y493 HydrophobicContact CG2-CG 4.3Å
400	E	79.7	Confident	67.6	Low	29 Å²	29	74.7 Å²	74.7	14%	0.136	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125.7	175.5	174.1	-173.9	-151.3	0	0	107.9	L381 K491 R492 L494	L381-E400 WeakPolarHBondContact CD2-OE1 2.96Å; E400-K491 CarbonylContact O-C 3.57Å; E400-K491 WeakPolarHBondContact O-CA 3.5Å; E400-R492 HydrophobicContact CB-CB 4.37Å; E400-R492 PolarHBondContact N-O 2.94Å; E400-R492 PolarHBondContact O-N 3.35Å; E400-R492 IonicContact OE2-CZ 3.76Å; E400-R492 IonicContact OE2-NH1 3.01Å; E400-R492 PolarHBondContact OE2-NH1 3.12Å; E400-L494 HydrophobicContact CB-CD1 4.05Å; E400-L494 HydrophobicContact CB-CD2 4.28Å; E400-L494 HydrophobicContact CB-CG 4.21Å
401	I	85.2	Confident	69.7	Low	24 Å²	24	73.1 Å²	73.1	12%	0.123	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.2	171.3	-61.8	177.3	0	0	0	108	S382 I460 K489 L490 K491	S382-I401 PolarHBondContact N-O 2.92Å; S382-I401 PolarHBondContact O-N 2.89Å; S382-I401 PolarHBondContact OG-O 3.06Å; S382-I401 VanDerWaalsContact OG-O 3.04Å; I401-I460 HydrophobicContact CD1-CD1 4.46Å; I401-I460 HydrophobicContact CG2-CD1 4.13Å; I401-K489 HydrophobicContact CG2-CD 4.33Å; I401-K489 VanDerWaalsContact CG2-CE 3.5Å; I401-K489 HydrophobicContact CG2-CG 3.99Å; I401-L490 WeakPolarHBondContact CA-O 3.43Å; I401-K491 HydrophobicContact CG1-CB 4.39Å; I401-K491 HydrophobicContact CG1-CG 4.34Å
402	H	85.5	Confident	72	Confident	9 Å²	9	68.5 Å²	68.5	4%	0.042	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153.9	177.1	67.6	89.6	0	0	0	111.4	L381 V404 S452 D457 L490 R492	L381-H402 HydrophobicContact CD2-CB 3.53Å; H402-V404 WeakPolarHBondContact ND1-CG2 3.42Å; H402-S452 PolarHBondContact CE1-O 3.22Å; H402-D457 IonicContact NE2-OD2 2.72Å; H402-L490 VanDerWaalsContact CE1-CD1 3.41Å; H402-L490 WeakPolarHBondContact CE1-CD1 3.38Å; H402-L490 PolarHBondContact N-O 3.39Å; H402-L490 PolarHBondContact O-N 3.28Å; H402-R492 PolarHBondContact NE2-NH2 3.38Å
403	T	89.4	Confident	74.4	Confident	63 Å²	63	68 Å²	68	39%	0.387	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.5	-179.4	-58.8	0	0	0	0	110.2	T487 L488	T403-T487 HydrophobicContact CG2-CG2 3.36Å; T403-L488 CarbonylContact C-O 3.5Å; T403-L488 WeakPolarHBondContact CA-O 3.34Å
404	V	89.7	Confident	76.7	Confident	7 Å²	7	63.1 Å²	63.1	4%	0.042	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.7	-178.8	-177.6	0	0	0	0	109.2	H402 L406 S450 I453 T487 L488 L490	H402-V404 WeakPolarHBondContact ND1-CG2 3.42Å; V404-L406 HydrophobicContact CG1-CD2 3.61Å; V404-L406 HydrophobicContact CG1-CG 4.03Å; V404-S450 WeakPolarHBondContact CG1-OG 3.49Å; V404-I453 HydrophobicContact CB-CG1 4.46Å; V404-I453 HydrophobicContact CG1-CD1 4.26Å; V404-I453 HydrophobicContact CG1-CG1 4.17Å; V404-I453 HydrophobicContact CG2-CG1 4.24Å; V404-T487 CarbonylContact O-C 3.53Å; V404-T487 WeakPolarHBondContact O-CA 3.48Å; V404-L488 PolarHBondContact N-O 3.43Å; V404-L488 PolarHBondContact O-N 2.91Å; V404-L490 HydrophobicContact CB-CD1 4.29Å; V404-L490 HydrophobicContact CG2-CD1 3.76Å
405	Q	89.2	Confident	78.6	Confident	148 Å²	148	59.5 Å²	59.5	69%	0.692	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.7	171.4	-62.6	-176.5	16.6	0	0	109	I486 T487	Q405-I486 WeakPolarHBondContact CA-O 3.36Å; Q405-T487 HydrophobicContact CG-CG2 4.2Å
406	L	87.3	Confident	80.4	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.031	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.3	176.1	-53.1	175.5	0	0	0	109.4	V404 L414 I446 I453 I486 L488	V404-L406 HydrophobicContact CG1-CD2 3.61Å; V404-L406 HydrophobicContact CG1-CG 4.03Å; L406-L414 HydrophobicContact CB-CD2 4.44Å; L406-L414 HydrophobicContact CD1-CD2 4.13Å; L406-I446 HydrophobicContact CB-CG2 3.95Å; L406-I446 HydrophobicContact CD2-CG2 4.16Å; L406-I446 HydrophobicContact CG-CG2 4.44Å; L406-I453 HydrophobicContact CD1-CD1 3.84Å; L406-I453 HydrophobicContact CD2-CD1 4.49Å; L406-I486 HydrophobicContact CB-CG2 3.68Å; L406-I486 HydrophobicContact CD1-CG2 4.33Å; L406-I486 HydrophobicContact CG-CG2 4.38Å; L406-I486 PolarHBondContact N-O 3.17Å; L406-I486 PolarHBondContact O-N 3.37Å; L406-L488 HydrophobicContact CD1-CD1 4.12Å
407	T	85.3	Confident	81.8	Confident	100 Å²	100	58.1 Å²	58.1	61%	0.613	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.5	173.7	-47.6	0	0	0	0	109.2	T484	T407-T484 CarbonylContact C-O 3.56Å; T407-T484 VanDerWaalsContact CA-O 3.29Å; T407-T484 WeakPolarHBondContact CA-O 3.34Å; T407-T484 HydrophobicContact CG2-CG2 4.24Å
408	K	82.5	Confident	82.9	Confident	37 Å²	37	59.6 Å²	59.6	16%	0.161	33%	0.329	C	S	.	.			trans	-111.5	141.4	178.6	72.9	-176.5	-173	-164.8	0	111.7	L414 I446 S482 D483 T484	K408-L414 HydrophobicContact CB-CD2 4.32Å; K408-L414 HydrophobicContact CD-CD2 4.22Å; K408-I446 HydrophobicContact CB-CD1 3.6Å; K408-S482 VanDerWaalsContact CE-O 3.29Å; K408-S482 WeakPolarHBondContact CE-O 3.48Å; K408-S482 PolarHBondContact NZ-O 2.95Å; K408-S482 PolarHBondContact NZ-OG 3.36Å; K408-D483 WeakPolarHBondContact CE-O 3.4Å; K408-T484 PolarHBondContact N-O 3.18Å; K408-T484 WeakPolarHBondContact O-CG2 3.42Å
409	S	79.3	Confident	83.5	Confident	74 Å²	74	55.4 Å²	55.4	52%	0.517	31%	0.31	S	S	.	.			trans	-77.9	159.4	167.4	-62.2	0	0	0	0	110	D411 Q412	S409-D411 PolarHBondContact O-N 2.96Å; S409-Q412 PolarHBondContact O-N 3.24Å
410	K	71.5	Confident	83.7	Confident	205 Å²	205	55.5 Å²	55.5	89%	0.891	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-31.6	-177.1	-70.1	-174.7	178.5	-178.6	0	113.8
411	D	73.4	Confident	83.9	Confident	165 Å²	165	54.4 Å²	54.4	88%	0.882	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	3.8	-175.7	-50.4	-50	0	0	0	113.7	S409	S409-D411 PolarHBondContact O-N 2.96Å
412	Q	77.1	Confident	83.6	Confident	77 Å²	77	54.1 Å²	54.1	36%	0.36	30%	0.304	S	S	.	.			trans	-112.6	123.1	-175.3	-165.3	178.2	9.5	0	0	111.4	S409 I446	S409-Q412 PolarHBondContact O-N 3.24Å; Q412-I446 HydrophobicContact CB-CD1 4.31Å; Q412-I446 HydrophobicContact CG-CD1 3.85Å; Q412-I446 HydrophobicContact CG-CG1 4.23Å
413	G	82.1	Confident	83.3	Confident	55 Å²	55	54.2 Å²	54.2	57%	0.567	30%	0.304	S	S	*	.			trans	-72.7	161.1	169.8	0	0	0	0	0	112.5	G415	G413-G415 PolarHBondContact O-N 3.03Å
414	L	85.2	Confident	82.6	Confident	21 Å²	21	54.6 Å²	54.6	11%	0.11	30%	0.301	C	S	.	.			trans	-62.4	-33	176.1	-60.1	174.7	0	0	0	112.1	L406 K408 L416 I446 S447 I486	L406-L414 HydrophobicContact CB-CD2 4.44Å; L406-L414 HydrophobicContact CD1-CD2 4.13Å; K408-L414 HydrophobicContact CB-CD2 4.32Å; K408-L414 HydrophobicContact CD-CD2 4.22Å; L414-L416 HydrophobicContact CB-CG 4.47Å; L414-I446 PolarHBondContact O-N 3.22Å; L414-S447 WeakPolarHBondContact O-CB 3.2Å; L414-S447 PolarHBondContact O-N 3.01Å; L414-S447 PolarHBondContact O-OG 3.37Å; L414-I486 HydrophobicContact CD1-CD1 3.69Å; L414-I486 HydrophobicContact CD1-CG2 4.31Å; L414-I486 HydrophobicContact CD2-CG2 3.68Å
415	G	87	Confident	81.7	Confident	16 Å²	16	55 Å²	55	17%	0.165	30%	0.302	C	S	.	.			trans	87.7	20.3	-176.4	0	0	0	0	0	114.4	G413 T442	G413-G415 PolarHBondContact O-N 3.03Å; G415-T442 WeakPolarHBondContact O-CB 3.43Å; G415-T442 PolarHBondContact O-N 3.42Å; G415-T442 PolarHBondContact O-OG1 3.41Å; G415-T442 VanDerWaalsContact O-OG1 3.06Å
416	L	87.6	Confident	80.4	Confident	37 Å²	37	49 Å²	49	19%	0.194	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	134	174.1	-60.3	174.4	0	0	0	110.6	L414 V418 V438 I441 S447 I453 L488	L414-L416 HydrophobicContact CB-CG 4.47Å; L416-V418 HydrophobicContact CB-CG1 4.46Å; L416-V438 HydrophobicContact CD2-CG1 4.01Å; L416-V438 HydrophobicContact CD2-CG2 4.44Å; L416-I441 HydrophobicContact CD2-CG1 4.02Å; L416-S447 VanDerWaalsContact CD2-CB 3.42Å; L416-S447 WeakPolarHBondContact CD2-OG 3.4Å; L416-S447 VanDerWaalsContact CG-OG 3.24Å; L416-S447 WeakPolarHBondContact CG-OG 3.37Å; L416-I453 HydrophobicContact CD1-CD1 4.25Å; L416-I453 HydrophobicContact CD2-CD1 4.49Å; L416-I453 HydrophobicContact CD2-CG2 4.04Å; L416-L488 HydrophobicContact CD1-CD1 4.03Å
417	S	86.2	Confident	79.2	Confident	51 Å²	51	53.5 Å²	53.5	36%	0.357	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.8	158.9	-179.7	0	0	0	0	107.8	Q439 N440	S417-Q439 PolarHBondContact O-N 3.3Å; S417-N440 PolarHBondContact N-O 2.94Å; S417-N440 PolarHBondContact O-N 3.44Å
418	V	86.8	Confident	78.4	Confident	36 Å²	36	52.3 Å²	52.3	22%	0.218	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	150.4	-178	-62.7	0	0	0	0	111	L416 I436 F437 I459 I476 L479	L416-V418 HydrophobicContact CB-CG1 4.46Å; V418-I436 HydrophobicContact CB-CG2 3.85Å; V418-I436 HydrophobicContact CG1-CG2 4.3Å; V418-I436 HydrophobicContact CG2-CG2 4.23Å; V418-F437 CarbonylContact C-O 3.58Å; V418-F437 WeakPolarHBondContact CA-O 3.49Å; V418-I459 HydrophobicContact CG1-CD1 3.68Å; V418-I476 HydrophobicContact CG2-CG1 4.14Å; V418-L479 HydrophobicContact CG1-CD1 4.17Å; V418-L479 HydrophobicContact CG2-CD1 4.25Å
419	V	83.9	Confident	77.4	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.024	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142	178.8	60.9	0	0	0	0	109.8	Y421 I436 F437 Q439 K544	V419-Y421 HydrophobicContact CB-CE2 4.45Å; V419-Y421 HydrophobicContact CG1-CD2 3.92Å; V419-Y421 HydrophobicContact CG1-CE1 4.42Å; V419-Y421 HydrophobicContact CG1-CE2 3.25Å; V419-Y421 HydrophobicContact CG2-CE1 4.12Å; V419-Y421 HydrophobicContact CG2-CE2 4.36Å; V419-I436 WeakPolarHBondContact O-CA 3.36Å; V419-F437 HydrophobicContact CG1-CB 4.18Å; V419-F437 PolarHBondContact N-O 3.02Å; V419-F437 PolarHBondContact O-N 3.46Å; V419-Q439 HydrophobicContact CB-CB 4.13Å; V419-Q439 HydrophobicContact CB-CG 4.49Å; V419-Q439 HydrophobicContact CG1-CB 3.84Å; V419-Q439 HydrophobicContact CG1-CG 4.24Å; V419-K544 HydrophobicContact CG2-CB 4.43Å; V419-K544 HydrophobicContact CG2-CD 3.61Å; V419-K544 VanDerWaalsContact CG2-CE 3.44Å; V419-K544 HydrophobicContact CG2-CG 3.52Å
420	G	84.4	Confident	76.6	Confident	2 Å²	2	56.9 Å²	56.9	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	130.3	169.3	0	0	0	0	0	111	G435 N472 Y545	G420-G435 WeakPolarHBondContact CA-O 3.09Å; G420-N472 WeakPolarHBondContact CA-ND2 3.33Å; G420-N472 WeakPolarHBondContact CA-OD1 3.04Å; G420-Y545 WeakPolarHBondContact O-CD1 3.47Å; G420-Y545 PolarHBondContact O-N 3.41Å
421	Y	82.6	Confident	76.5	Confident	6 Å²	6	51.7 Å²	51.7	2%	0.024	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.4	172.7	-70.4	-59.1	0	0	0	112.3	V419 K434 G435 F437 L502 A505 V542 L543 K544 Y545	V419-Y421 HydrophobicContact CB-CE2 4.45Å; V419-Y421 HydrophobicContact CG1-CD2 3.92Å; V419-Y421 HydrophobicContact CG1-CE1 4.42Å; V419-Y421 HydrophobicContact CG1-CE2 3.25Å; V419-Y421 HydrophobicContact CG2-CE1 4.12Å; V419-Y421 HydrophobicContact CG2-CE2 4.36Å; Y421-K434 WeakPolarHBondContact O-CA 3.28Å; Y421-G435 PolarHBondContact N-O 3.47Å; Y421-G435 PolarHBondContact O-N 2.97Å; Y421-F437 HydrophobicContact CD2-CB 3.9Å; Y421-F437 AromaticContact CD2-CD2 3.47Å; Y421-F437 HydrophobicContact CD2-CD2 3.47Å; Y421-F437 VanDerWaalsContact CD2-CD2 3.47Å; Y421-F437 HydrophobicContact CD2-CE2 4.09Å; Y421-F437 AromaticContact CD2-CG 3.76Å; Y421-F437 HydrophobicContact CD2-CG 3.76Å; Y421-F437 HydrophobicContact CE2-CB 4.05Å; Y421-F437 HydrophobicContact CE2-CD2 4.43Å; Y421-F437 HydrophobicContact CE2-CG 4.33Å; Y421-F437 HydrophobicContact CG-CD2 4.21Å; Y421-L502 HydrophobicContact CD2-CD2 3.61Å; Y421-L502 HydrophobicContact CE2-CD2 3.75Å; Y421-L502 HydrophobicContact CG-CD2 4.41Å; Y421-A505 HydrophobicContact CE1-CB 4.2Å; Y421-V542 HydrophobicContact CD1-CG1 3.37Å; Y421-V542 HydrophobicContact CD2-CG1 4.3Å; Y421-V542 HydrophobicContact CE1-CG1 3.94Å; Y421-V542 HydrophobicContact CG-CG1 3.59Å; Y421-L543 WeakPolarHBondContact CA-O 3.44Å; Y421-K544 HydrophobicContact CD1-CB 4.21Å; Y421-K544 HydrophobicContact CE1-CB 3.91Å; Y421-Y545 WeakPolarHBondContact O-CE1 3.21Å
422	I	79.3	Confident	76.4	Confident	17 Å²	17	48.1 Å²	48.1	9%	0.087	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	124.7	161.9	-60.8	169.6	0	0	0	105.6	Y432 N433 K434 V542 L543 Y545	I422-Y432 HydrophobicContact CG2-CD1 4.12Å; I422-Y432 HydrophobicContact CG2-CG 4.27Å; I422-N433 CarbonylContact C-O 3.55Å; I422-N433 WeakPolarHBondContact CA-O 3.38Å; I422-K434 HydrophobicContact CG1-CG 4.19Å; I422-V542 WeakPolarHBondContact O-CA 3.41Å; I422-L543 PolarHBondContact N-O 3.24Å; I422-L543 PolarHBondContact O-N 2.78Å; I422-Y545 HydrophobicContact CB-CD1 4.44Å; I422-Y545 HydrophobicContact CD1-CD1 4.09Å; I422-Y545 HydrophobicContact CD1-CG 4.25Å; I422-Y545 HydrophobicContact CG1-CD1 3.53Å; I422-Y545 HydrophobicContact CG1-CE1 3.72Å; I422-Y545 HydrophobicContact CG1-CG 4.17Å
423	Y	78.7	Confident	76.6	Confident	11 Å²	11	46.5 Å²	46.5	4%	0.043	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	150.7	-177.1	60.3	-86.1	0	0	0	111.2	N425 Y432 N433 F437 Q458 L498 S541	Y423-N425 PolarHBondContact O-N 2.98Å; Y423-Y432 CarbonylContact O-C 3.51Å; Y423-Y432 WeakPolarHBondContact O-CA 3.31Å; Y423-N433 HydrophobicContact CD1-CB 4.31Å; Y423-N433 WeakPolarHBondContact CD1-O 3.27Å; Y423-N433 HydrophobicContact CD2-CB 3.96Å; Y423-N433 HydrophobicContact CE1-CB 3.82Å; Y423-N433 HydrophobicContact CE2-CB 3.46Å; Y423-N433 VanDerWaalsContact CE2-CB 3.46Å; Y423-N433 HydrophobicContact CG-CB 4.37Å; Y423-N433 PolarHBondContact N-O 3.26Å; Y423-N433 PolarHBondContact O-N 2.74Å; Y423-F437 HydrophobicContact CD1-CE2 4.22Å; Y423-F437 HydrophobicContact CD1-CZ 4.27Å; Y423-F437 AromaticContact CE1-CE2 3.81Å; Y423-F437 HydrophobicContact CE1-CE2 3.81Å; Y423-F437 AromaticContact CE1-CZ 3.72Å; Y423-F437 HydrophobicContact CE1-CZ 3.72Å; Y423-Q458 PolarHBondContact OH-NE2 3.11Å; Y423-L498 HydrophobicContact CD1-CD1 4.43Å; Y423-L498 HydrophobicContact CD2-CD1 3.43Å; Y423-L498 VanDerWaalsContact CD2-CD1 3.43Å; Y423-L498 HydrophobicContact CD2-CD2 3.62Å; Y423-L498 HydrophobicContact CD2-CG 4.16Å; Y423-L498 HydrophobicContact CE1-CD2 4.46Å; Y423-L498 HydrophobicContact CE2-CD1 4.16Å; Y423-L498 HydrophobicContact CE2-CD2 3.42Å; Y423-L498 VanDerWaalsContact CE2-CD2 3.42Å; Y423-L498 HydrophobicContact CE2-CG 4.42Å; Y423-L498 HydrophobicContact CG-CD1 3.58Å; Y423-L498 HydrophobicContact CG-CD2 4.21Å; Y423-S541 WeakPolarHBondContact CA-O 3.39Å
424	K	74.8	Confident	76.6	Confident	72 Å²	72	48.6 Å²	48.6	31%	0.313	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	133.9	178.9	-165.5	174.6	-172.8	174.1	0	110.5	P426 K429 Y432 S541	K424-P426 WeakPolarHBondContact O-CD 3.38Å; K424-K429 VanDerWaalsContact CE-CA 3.45Å; K424-K429 WeakPolarHBondContact CE-O 3.3Å; K424-Y432 HydrophobicContact CB-CD1 4.43Å; K424-Y432 HydrophobicContact CB-CE1 4.19Å; K424-S541 PolarHBondContact N-O 3.46Å
425	N	70.8	Confident	76.6	Confident	14 Å²	14	47.9 Å²	47.9	8%	0.075	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	123	175.7	-176.1	-10.3	0	0	0	108.4	Y423 Y427 D428 E431 N433	Y423-N425 PolarHBondContact O-N 2.98Å; N425-Y427 PolarHBondContact O-N 3.37Å; N425-Y427 WeakPolarHBondContact OD1-CD2 3.37Å; N425-Y427 PolarHBondContact OD1-N 2.96Å; N425-D428 WeakPolarHBondContact CB-O 3.48Å; N425-D428 CarbonylContact O-C 3.54Å; N425-D428 PolarHBondContact O-N 2.94Å; N425-D428 VanDerWaalsContact O-O 3.05Å; N425-E431 HydrophobicContact CB-CB 3.83Å; N425-E431 HydrophobicContact CB-CG 4.33Å; N425-E431 VanDerWaalsContact CB-O 3.26Å; N425-E431 WeakPolarHBondContact CB-O 3.2Å; N425-E431 PolarHBondContact N-O 2.9Å; N425-E431 PolarHBondContact ND2-OE2 2.82Å; N425-N433 PolarHBondContact OD1-ND2 3.36Å
426	P	61.6	Low	76.7	Confident	23 Å²	23	47.3 Å²	47.3	15%	0.149	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-13	179	28.5	-39	0	0	0	113.8	E397 K424	E397-P426 VanDerWaalsContact CD-CG 3.43Å; E397-P426 HydrophobicContact CG-CB 4.04Å; E397-P426 HydrophobicContact CG-CG 4.3Å; E397-P426 WeakPolarHBondContact OE1-CB 3.48Å; E397-P426 WeakPolarHBondContact OE1-CG 3.44Å; E397-P426 WeakPolarHBondContact OE2-CG 3.38Å; K424-P426 WeakPolarHBondContact O-CD 3.38Å
427	Y	63.7	Low	76.9	Confident	101 Å²	101	45.5 Å²	45.5	40%	0.396	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-14.8	-179.8	-51.7	-68.4	0	0	0	114	D386 N425	D386-Y427 HydrophobicContact CB-CE1 4.31Å; D386-Y427 WeakPolarHBondContact CB-OH 3.37Å; D386-Y427 PolarHBondContact OD2-OH 3.14Å; N425-Y427 PolarHBondContact O-N 3.37Å; N425-Y427 WeakPolarHBondContact OD1-CD2 3.37Å; N425-Y427 PolarHBondContact OD1-N 2.96Å
428	D	67.4	Low	77	Confident	74 Å²	74	43.1 Å²	43.1	40%	0.396	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	105.7	179.5	-173	-18.7	0	0	0	107.7	N425 N430 E431	N425-D428 WeakPolarHBondContact CB-O 3.48Å; N425-D428 CarbonylContact O-C 3.54Å; N425-D428 PolarHBondContact O-N 2.94Å; N425-D428 VanDerWaalsContact O-O 3.05Å; D428-N430 PolarHBondContact O-N 3.01Å; D428-N430 PolarHBondContact OD1-N 2.76Å; D428-E431 HydrophobicContact CB-CB 3.9Å; D428-E431 PolarHBondContact O-N 2.8Å
429	K	62.4	Low	77.1	Confident	112 Å²	112	43.7 Å²	43.7	49%	0.487	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	-14.6	-176.4	-67	-176.6	-175.2	-177.4	0	112.8	E394 K424	E394-K429 WeakPolarHBondContact OE1-CE 3.19Å; E394-K429 IonicContact OE1-NZ 3.46Å; K424-K429 VanDerWaalsContact CE-CA 3.45Å; K424-K429 WeakPolarHBondContact CE-O 3.3Å
430	N	62.2	Low	77.2	Confident	96 Å²	96	47.1 Å²	47.1	51%	0.513	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-5.1	-177.3	-57.4	-3.6	0	0	0	111.6	D428 E568	D428-N430 PolarHBondContact O-N 3.01Å; D428-N430 PolarHBondContact OD1-N 2.76Å; N430-E568 WeakPolarHBondContact CB-OE2 3.49Å; N430-E568 PolarHBondContact ND2-OE2 3.31Å
431	E	69.2	Low	77.4	Confident	95 Å²	95	48.6 Å²	48.6	44%	0.444	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	147.3	176.7	-166.2	179.9	-168.7	0	0	111.3	N425 D428	N425-E431 HydrophobicContact CB-CB 3.83Å; N425-E431 HydrophobicContact CB-CG 4.33Å; N425-E431 VanDerWaalsContact CB-O 3.26Å; N425-E431 WeakPolarHBondContact CB-O 3.2Å; N425-E431 PolarHBondContact N-O 2.9Å; N425-E431 PolarHBondContact ND2-OE2 2.82Å; D428-E431 HydrophobicContact CB-CB 3.9Å; D428-E431 PolarHBondContact O-N 2.8Å
432	Y	72.3	Confident	77.7	Confident	91 Å²	91	52 Å²	52	36%	0.357	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129	173	-69.9	-92.2	0	0	0	110.6	I422 Y423 K424 L564	I422-Y432 HydrophobicContact CG2-CD1 4.12Å; I422-Y432 HydrophobicContact CG2-CG 4.27Å; Y423-Y432 CarbonylContact O-C 3.51Å; Y423-Y432 WeakPolarHBondContact O-CA 3.31Å; K424-Y432 HydrophobicContact CB-CD1 4.43Å; K424-Y432 HydrophobicContact CB-CE1 4.19Å; Y432-L564 HydrophobicContact CE1-CD2 3.74Å; Y432-L564 HydrophobicContact CE2-CD2 4.36Å; Y432-L564 VanDerWaalsContact OH-CD2 3.31Å; Y432-L564 WeakPolarHBondContact OH-CD2 3.34Å
433	N	80	Confident	78.1	Confident	43 Å²	43	55.9 Å²	55.9	23%	0.23	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	148.5	174.6	-73.7	-37.5	0	0	0	111.1	I422 Y423 N425	I422-N433 CarbonylContact C-O 3.55Å; I422-N433 WeakPolarHBondContact CA-O 3.38Å; Y423-N433 HydrophobicContact CD1-CB 4.31Å; Y423-N433 WeakPolarHBondContact CD1-O 3.27Å; Y423-N433 HydrophobicContact CD2-CB 3.96Å; Y423-N433 HydrophobicContact CE1-CB 3.82Å; Y423-N433 HydrophobicContact CE2-CB 3.46Å; Y423-N433 VanDerWaalsContact CE2-CB 3.46Å; Y423-N433 HydrophobicContact CG-CB 4.37Å; Y423-N433 PolarHBondContact N-O 3.26Å; Y423-N433 PolarHBondContact O-N 2.74Å; N425-N433 PolarHBondContact OD1-ND2 3.36Å
434	K	83.2	Confident	78.5	Confident	98 Å²	98	61.4 Å²	61.4	43%	0.426	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.5	171.7	-58.2	-171.2	179.5	174.4	0	109.2	Y421 I422 Y565	Y421-K434 WeakPolarHBondContact O-CA 3.28Å; I422-K434 HydrophobicContact CG1-CG 4.19Å; K434-Y565 PolarHBondContact NZ-OH 3.26Å
435	G	85.2	Confident	79.1	Confident	6 Å²	6	58.5 Å²	58.5	6%	0.062	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	154.3	179.3	0	0	0	0	0	113.8	G420 Y421 F437	G420-G435 WeakPolarHBondContact CA-O 3.09Å; Y421-G435 PolarHBondContact N-O 3.47Å; Y421-G435 PolarHBondContact O-N 2.97Å; G435-F437 WeakPolarHBondContact O-CD2 3.24Å
436	I	88.8	Confident	79.9	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.021	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.1	175.1	-52.8	-61.4	0	0	0	108.7	V418 V419 Q458 I459 L467 N472 A475	V418-I436 HydrophobicContact CB-CG2 3.85Å; V418-I436 HydrophobicContact CG1-CG2 4.3Å; V418-I436 HydrophobicContact CG2-CG2 4.23Å; V419-I436 WeakPolarHBondContact O-CA 3.36Å; I436-Q458 CarbonylContact O-C 3.58Å; I436-Q458 WeakPolarHBondContact O-CA 3.35Å; I436-I459 HydrophobicContact CG2-CD1 4.4Å; I436-I459 PolarHBondContact O-N 2.83Å; I436-L467 HydrophobicContact CB-CD1 4.49Å; I436-L467 HydrophobicContact CG1-CD1 4.46Å; I436-N472 WeakPolarHBondContact CD1-OD1 3.19Å; I436-A475 HydrophobicContact CD1-CB 3.81Å; I436-A475 HydrophobicContact CG1-CB 3.6Å
437	F	90.7	Very high	81.2	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	148.1	-173.9	-65.7	-100.6	0	0	0	111.2	V418 V419 Y421 Y423 G435 Q439 D457 Q458 Y493 L498 L502	V418-F437 CarbonylContact C-O 3.58Å; V418-F437 WeakPolarHBondContact CA-O 3.49Å; V419-F437 HydrophobicContact CG1-CB 4.18Å; V419-F437 PolarHBondContact N-O 3.02Å; V419-F437 PolarHBondContact O-N 3.46Å; Y421-F437 HydrophobicContact CD2-CB 3.9Å; Y421-F437 AromaticContact CD2-CD2 3.47Å; Y421-F437 HydrophobicContact CD2-CD2 3.47Å; Y421-F437 VanDerWaalsContact CD2-CD2 3.47Å; Y421-F437 HydrophobicContact CD2-CE2 4.09Å; Y421-F437 AromaticContact CD2-CG 3.76Å; Y421-F437 HydrophobicContact CD2-CG 3.76Å; Y421-F437 HydrophobicContact CE2-CB 4.05Å; Y421-F437 HydrophobicContact CE2-CD2 4.43Å; Y421-F437 HydrophobicContact CE2-CG 4.33Å; Y421-F437 HydrophobicContact CG-CD2 4.21Å; Y423-F437 HydrophobicContact CD1-CE2 4.22Å; Y423-F437 HydrophobicContact CD1-CZ 4.27Å; Y423-F437 AromaticContact CE1-CE2 3.81Å; Y423-F437 HydrophobicContact CE1-CE2 3.81Å; Y423-F437 AromaticContact CE1-CZ 3.72Å; Y423-F437 HydrophobicContact CE1-CZ 3.72Å; G435-F437 WeakPolarHBondContact O-CD2 3.24Å; F437-Q439 PolarHBondContact O-N 3.02Å; F437-D457 CarbonylContact C-O 3.52Å; F437-D457 WeakPolarHBondContact CA-O 3.36Å; F437-Q458 HydrophobicContact CD1-CB 3.79Å; F437-Q458 HydrophobicContact CD1-CG 4.23Å; F437-Q458 HydrophobicContact CE1-CB 3.56Å; F437-Q458 HydrophobicContact CE1-CG 3.86Å; F437-Q458 HydrophobicContact CE2-CG 4.21Å; F437-Q458 HydrophobicContact CG-CB 4.49Å; F437-Q458 HydrophobicContact CZ-CB 4.09Å; F437-Q458 HydrophobicContact CZ-CG 3.85Å; F437-Y493 HydrophobicContact CE1-CD2 4.45Å; F437-Y493 AromaticContact CE1-CE2 3.99Å; F437-Y493 HydrophobicContact CE1-CE2 3.99Å; F437-L498 HydrophobicContact CZ-CD2 4.41Å; F437-L502 HydrophobicContact CD1-CD1 3.87Å; F437-L502 HydrophobicContact CD1-CD2 3.94Å; F437-L502 HydrophobicContact CE1-CD1 3.53Å; F437-L502 HydrophobicContact CE1-CD2 3.99Å; F437-L502 HydrophobicContact CE1-CG 4.42Å; F437-L502 HydrophobicContact CG-CD2 4.29Å; F437-L502 HydrophobicContact CZ-CD1 4.37Å; F437-L502 HydrophobicContact CZ-CD2 4.37Å
438	V	89.6	Confident	82.4	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	109.5	173.3	178.4	0	0	0	0	108.8	L416 I441 I453 N456 D457 I459	L416-V438 HydrophobicContact CD2-CG1 4.01Å; L416-V438 HydrophobicContact CD2-CG2 4.44Å; V438-I441 HydrophobicContact CG1-CD1 4.3Å; V438-I441 HydrophobicContact CG1-CG1 3.74Å; V438-I453 HydrophobicContact CG2-CG2 3.98Å; V438-N456 PolarHBondContact O-N 3.06Å; V438-D457 HydrophobicContact CG2-CB 4.31Å; V438-D457 PolarHBondContact N-O 3.44Å; V438-I459 HydrophobicContact CG2-CD1 4.29Å; V438-I459 HydrophobicContact CG2-CG1 4.23Å
439	Q	88	Confident	83.3	Confident	49 Å²	49	58.1 Å²	58.1	23%	0.229	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-40.6	177.1	-165.4	-178.9	5.7	0	0	111.7	S417 V419 F437 K544	S417-Q439 PolarHBondContact O-N 3.3Å; V419-Q439 HydrophobicContact CB-CB 4.13Å; V419-Q439 HydrophobicContact CB-CG 4.49Å; V419-Q439 HydrophobicContact CG1-CB 3.84Å; V419-Q439 HydrophobicContact CG1-CG 4.24Å; F437-Q439 PolarHBondContact O-N 3.02Å; Q439-K544 VanDerWaalsContact NE2-NZ 3.19Å
440	N	86.8	Confident	84.5	Confident	75 Å²	75	54.4 Å²	54.4	40%	0.401	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	149	-177.1	-126.8	2	0	0	0	111.3	S417	S417-N440 PolarHBondContact N-O 2.94Å; S417-N440 PolarHBondContact O-N 3.44Å
441	I	87.9	Confident	85.6	Confident	33 Å²	33	55.3 Å²	55.3	17%	0.169	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.3	175.2	-55.9	176.1	0	0	0	107.6	L416 V438 P443 D448 I453 V455	L416-I441 HydrophobicContact CD2-CG1 4.02Å; V438-I441 HydrophobicContact CG1-CD1 4.3Å; V438-I441 HydrophobicContact CG1-CG1 3.74Å; I441-P443 WeakPolarHBondContact O-CD 3.45Å; I441-D448 HydrophobicContact CG2-CB 3.84Å; I441-I453 HydrophobicContact CD1-CB 4.38Å; I441-I453 HydrophobicContact CD1-CG2 4.23Å; I441-I453 WeakPolarHBondContact CD1-O 3.31Å; I441-V455 HydrophobicContact CG1-CG2 4.41Å
442	T	88.6	Confident	86.4	Confident	78 Å²	78	52.3 Å²	52.3	48%	0.479	27%	0.27	S	S	.	.			trans	-68.1	124	-179.3	-54.3	0	0	0	0	109	G415 S445 D448	G415-T442 WeakPolarHBondContact O-CB 3.43Å; G415-T442 PolarHBondContact O-N 3.42Å; G415-T442 PolarHBondContact O-OG1 3.41Å; G415-T442 VanDerWaalsContact O-OG1 3.06Å; T442-S445 WeakPolarHBondContact O-CB 3.37Å; T442-S445 PolarHBondContact O-N 2.87Å; T442-S445 PolarHBondContact O-OG 3.26Å; T442-D448 WeakPolarHBondContact O-CB 3.4Å
443	P	87.7	Confident	87.2	Confident	98 Å²	98	48.3 Å²	48.3	64%	0.636	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	142.6	177.4	-26.2	34.7	0	0	0	112.1	I441 S445	I441-P443 WeakPolarHBondContact O-CD 3.45Å; P443-S445 PolarHBondContact O-N 2.91Å; P443-S445 VanDerWaalsContact O-N 3.13Å
444	N	87.3	Confident	87.7	Confident	128 Å²	128	50.8 Å²	50.8	68%	0.684	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	7.7	-178.9	-56.8	-42.7	0	0	0	116.2	D448 K449	N444-D448 PolarHBondContact N-OD2 3.35Å; N444-K449 WeakPolarHBondContact O-CE 3.22Å
445	S	88.6	Confident	88	Confident	11 Å²	11	49 Å²	49	8%	0.077	26%	0.262	C	S	.	.	S	Bend	trans	-74.8	175	174.1	68.4	0	0	0	0	113.3	T442 P443 S447 D448 K449	T442-S445 WeakPolarHBondContact O-CB 3.37Å; T442-S445 PolarHBondContact O-N 2.87Å; T442-S445 PolarHBondContact O-OG 3.26Å; P443-S445 PolarHBondContact O-N 2.91Å; P443-S445 VanDerWaalsContact O-N 3.13Å; S445-S447 VanDerWaalsContact C-N 3.3Å; S445-S447 PolarHBondContact O-N 3.34Å; S445-D448 PolarHBondContact O-N 3.11Å; S445-D448 PolarHBondContact OG-N 3.36Å; S445-K449 WeakPolarHBondContact O-CB 3.31Å; S445-K449 VanDerWaalsContact O-CG 3.27Å; S445-K449 WeakPolarHBondContact O-CG 3.21Å; S445-K449 PolarHBondContact O-N 3.21Å
446	I	87	Confident	88.2	Confident	20 Å²	20	50.1 Å²	50.1	10%	0.103	27%	0.267	C	S	.	.	H	α-helix	trans	-60.2	-44.2	176.2	-60.8	164.6	0	0	0	110	L406 K408 Q412 L414 K449 S450	L406-I446 HydrophobicContact CB-CG2 3.95Å; L406-I446 HydrophobicContact CD2-CG2 4.16Å; L406-I446 HydrophobicContact CG-CG2 4.44Å; K408-I446 HydrophobicContact CB-CD1 3.6Å; Q412-I446 HydrophobicContact CB-CD1 4.31Å; Q412-I446 HydrophobicContact CG-CD1 3.85Å; Q412-I446 HydrophobicContact CG-CG1 4.23Å; L414-I446 PolarHBondContact O-N 3.22Å; I446-K449 PolarHBondContact O-N 2.96Å; I446-S450 PolarHBondContact O-N 3.47Å
447	S	88.7	Confident	88.3	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.2	-38.2	177.8	-64.1	0	0	0	0	113.1	L414 L416 S445 S450	L414-S447 WeakPolarHBondContact O-CB 3.2Å; L414-S447 PolarHBondContact O-N 3.01Å; L414-S447 PolarHBondContact O-OG 3.37Å; L416-S447 VanDerWaalsContact CD2-CB 3.42Å; L416-S447 WeakPolarHBondContact CD2-OG 3.4Å; L416-S447 VanDerWaalsContact CG-OG 3.24Å; L416-S447 WeakPolarHBondContact CG-OG 3.37Å; S445-S447 VanDerWaalsContact C-N 3.3Å; S445-S447 PolarHBondContact O-N 3.34Å; S447-S450 PolarHBondContact O-N 2.69Å
448	D	89.1	Confident	88.4	Confident	38 Å²	38	50.9 Å²	50.9	20%	0.203	27%	0.27	C	S	.	.	H	α-helix	trans	-68.1	-39.1	175	-175.9	34.3	0	0	0	112.2	I441 T442 N444 S445 S450 K451	I441-D448 HydrophobicContact CG2-CB 3.84Å; T442-D448 WeakPolarHBondContact O-CB 3.4Å; N444-D448 PolarHBondContact N-OD2 3.35Å; S445-D448 PolarHBondContact O-N 3.11Å; S445-D448 PolarHBondContact OG-N 3.36Å; D448-S450 VanDerWaalsContact C-N 3.32Å; D448-S450 PolarHBondContact O-N 2.85Å; D448-K451 WeakPolarHBondContact O-CD 3.28Å; D448-K451 WeakPolarHBondContact O-CE 3.26Å; D448-K451 PolarHBondContact O-N 3.41Å; D448-K451 PolarHBondContact O-NZ 3.42Å; D448-K451 IonicContact OD1-NZ 2.67Å; D448-K451 PolarHBondContact OD1-NZ 3.48Å; D448-K451 IonicContact OD2-NZ 3.76Å
449	K	87	Confident	88.5	Confident	145 Å²	145	51 Å²	51	63%	0.63	27%	0.271	S	S	*	.	H	α-helix	trans	-66.6	-32.4	177	-73.9	175.6	-177.3	-178.9	0	112.8	N444 S445 I446 K451	N444-K449 WeakPolarHBondContact O-CE 3.22Å; S445-K449 WeakPolarHBondContact O-CB 3.31Å; S445-K449 VanDerWaalsContact O-CG 3.27Å; S445-K449 WeakPolarHBondContact O-CG 3.21Å; S445-K449 PolarHBondContact O-N 3.21Å; I446-K449 PolarHBondContact O-N 2.96Å; K449-K451 PolarHBondContact O-N 3.32Å
450	S	86.1	Confident	88.6	Confident	35 Å²	35	50.3 Å²	50.3	25%	0.245	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-29.9	176.1	164.2	0	0	0	0	112.7	V404 I446 S447 D448 S452	V404-S450 WeakPolarHBondContact CG1-OG 3.49Å; I446-S450 PolarHBondContact O-N 3.47Å; S447-S450 PolarHBondContact O-N 2.69Å; D448-S450 VanDerWaalsContact C-N 3.32Å; D448-S450 PolarHBondContact O-N 2.85Å; S450-S452 PolarHBondContact O-N 3.02Å; S450-S452 PolarHBondContact O-OG 2.96Å; S450-S452 VanDerWaalsContact OG-CB 3.32Å; S450-S452 WeakPolarHBondContact OG-CB 3.23Å; S450-S452 PolarHBondContact OG-N 2.93Å; S450-S452 PolarHBondContact OG-OG 3.14Å
451	K	85.5	Confident	88.9	Confident	114 Å²	114	49.1 Å²	49.1	50%	0.496	26%	0.261	S	S	.	.			trans	52.9	4.7	-174.4	-59.5	-65.2	172	-159.4	0	115.6	D448 K449	D448-K451 WeakPolarHBondContact O-CD 3.28Å; D448-K451 WeakPolarHBondContact O-CE 3.26Å; D448-K451 PolarHBondContact O-N 3.41Å; D448-K451 PolarHBondContact O-NZ 3.42Å; D448-K451 IonicContact OD1-NZ 2.67Å; D448-K451 PolarHBondContact OD1-NZ 3.48Å; D448-K451 IonicContact OD2-NZ 3.76Å; K449-K451 PolarHBondContact O-N 3.32Å
452	S	86	Confident	89	Confident	32 Å²	32	47.6 Å²	47.6	22%	0.224	25%	0.253	C	S	.	.			trans	-95.6	-13.6	-176	-52.2	0	0	0	0	112.1	H402 S450 R492	H402-S452 PolarHBondContact CE1-O 3.22Å; S450-S452 PolarHBondContact O-N 3.02Å; S450-S452 PolarHBondContact O-OG 2.96Å; S450-S452 VanDerWaalsContact OG-CB 3.32Å; S450-S452 WeakPolarHBondContact OG-CB 3.23Å; S450-S452 PolarHBondContact OG-N 2.93Å; S450-S452 PolarHBondContact OG-OG 3.14Å; S452-R492 PolarHBondContact O-NH2 3.46Å; S452-R492 VanDerWaalsContact O-NH2 3.11Å
453	I	89.7	Confident	89.1	Confident	7 Å²	7	45.8 Å²	45.8	4%	0.036	24%	0.24	C	C	.	.			trans	-107.1	135.9	179.1	-49.4	-177.9	0	0	0	108.7	V404 L406 L416 V438 I441 L488 L490	V404-I453 HydrophobicContact CB-CG1 4.46Å; V404-I453 HydrophobicContact CG1-CD1 4.26Å; V404-I453 HydrophobicContact CG1-CG1 4.17Å; V404-I453 HydrophobicContact CG2-CG1 4.24Å; L406-I453 HydrophobicContact CD1-CD1 3.84Å; L406-I453 HydrophobicContact CD2-CD1 4.49Å; L416-I453 HydrophobicContact CD1-CD1 4.25Å; L416-I453 HydrophobicContact CD2-CD1 4.49Å; L416-I453 HydrophobicContact CD2-CG2 4.04Å; V438-I453 HydrophobicContact CG2-CG2 3.98Å; I441-I453 HydrophobicContact CD1-CB 4.38Å; I441-I453 HydrophobicContact CD1-CG2 4.23Å; I441-I453 WeakPolarHBondContact CD1-O 3.31Å; I453-L488 HydrophobicContact CD1-CD1 3.96Å; I453-L490 HydrophobicContact CB-CD1 4.45Å; I453-L490 HydrophobicContact CD1-CD1 4.31Å; I453-L490 HydrophobicContact CG1-CD1 3.82Å; I453-L490 HydrophobicContact CG2-CD1 4.27Å
454	Q	90.3	Very high	89.1	Confident	96 Å²	96	49.2 Å²	49.2	45%	0.449	25%	0.248	S	C	.	.			trans	-122.8	158.7	179.5	-64.1	-177.6	-1.1	0	0	111.4	D457	Q454-D457 PolarHBondContact N-OD2 2.92Å; Q454-D457 WeakPolarHBondContact O-CB 3.34Å; Q454-D457 PolarHBondContact O-N 3.29Å
455	V	89.3	Confident	89.1	Confident	60 Å²	60	47.3 Å²	47.3	36%	0.364	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	139.5	169.7	176.6	0	0	0	0	108.6	I441 D457	I441-V455 HydrophobicContact CG1-CG2 4.41Å; V455-D457 VanDerWaalsContact C-N 3.31Å
456	N	89.1	Confident	89	Confident	30 Å²	30	49.5 Å²	49.5	16%	0.16	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	6.1	-173.2	-52.2	-31.5	0	0	0	116.1	V438 Q458 L502	V438-N456 PolarHBondContact O-N 3.06Å; N456-Q458 PolarHBondContact O-N 2.78Å; N456-L502 HydrophobicContact CB-CB 4.14Å; N456-L502 HydrophobicContact CB-CD1 4.5Å
457	D	92.2	Very high	88.9	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.011	25%	0.249	C	C	.	.			trans	-64.4	132.6	166.8	-73.5	-10.2	0	0	0	109.7	H402 F437 V438 Q454 V455 L490 R492	H402-D457 IonicContact NE2-OD2 2.72Å; F437-D457 CarbonylContact C-O 3.52Å; F437-D457 WeakPolarHBondContact CA-O 3.36Å; V438-D457 HydrophobicContact CG2-CB 4.31Å; V438-D457 PolarHBondContact N-O 3.44Å; Q454-D457 PolarHBondContact N-OD2 2.92Å; Q454-D457 WeakPolarHBondContact O-CB 3.34Å; Q454-D457 PolarHBondContact O-N 3.29Å; V455-D457 VanDerWaalsContact C-N 3.31Å; D457-L490 HydrophobicContact CB-CD2 4.07Å; D457-R492 WeakPolarHBondContact OD1-CG 3.18Å; D457-R492 IonicContact OD1-CZ 3.73Å; D457-R492 IonicContact OD1-NE 3.76Å; D457-R492 PolarHBondContact OD1-NE 3.11Å; D457-R492 IonicContact OD1-NH2 3.43Å; D457-R492 PolarHBondContact OD1-NH2 2.66Å; D457-R492 IonicContact OD2-CZ 3.27Å; D457-R492 IonicContact OD2-NE 3.62Å; D457-R492 IonicContact OD2-NH2 2.85Å; D457-R492 PolarHBondContact OD2-NH2 3.01Å
458	Q	91.6	Very high	88.4	Confident	17 Å²	17	53.1 Å²	53.1	8%	0.079	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.7	172.8	-171.1	-177.9	12.2	0	0	109.7	Y423 I436 F437 N456 I460 L490 K491 Y493	Y423-Q458 PolarHBondContact OH-NE2 3.11Å; I436-Q458 CarbonylContact O-C 3.58Å; I436-Q458 WeakPolarHBondContact O-CA 3.35Å; F437-Q458 HydrophobicContact CD1-CB 3.79Å; F437-Q458 HydrophobicContact CD1-CG 4.23Å; F437-Q458 HydrophobicContact CE1-CB 3.56Å; F437-Q458 HydrophobicContact CE1-CG 3.86Å; F437-Q458 HydrophobicContact CE2-CG 4.21Å; F437-Q458 HydrophobicContact CG-CB 4.49Å; F437-Q458 HydrophobicContact CZ-CB 4.09Å; F437-Q458 HydrophobicContact CZ-CG 3.85Å; N456-Q458 PolarHBondContact O-N 2.78Å; Q458-I460 HydrophobicContact CB-CG2 4.49Å; Q458-I460 HydrophobicContact CG-CG2 4.06Å; Q458-I460 PolarHBondContact O-N 2.92Å; Q458-L490 CarbonylContact O-C 3.54Å; Q458-L490 VanDerWaalsContact O-CA 3.28Å; Q458-L490 WeakPolarHBondContact O-CA 3.48Å; Q458-K491 HydrophobicContact CB-CB 4.29Å; Q458-K491 WeakPolarHBondContact CB-O 3.44Å; Q458-K491 PolarHBondContact N-O 3.31Å; Q458-K491 PolarHBondContact O-N 3.5Å; Q458-Y493 HydrophobicContact CB-CE2 4.2Å; Q458-Y493 PolarHBondContact OE1-OH 3.16Å; Q458-Y493 VanDerWaalsContact OE1-OH 3.1Å
459	I	91.6	Very high	87.4	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	106.2	173.3	-47.7	177.9	0	0	0	107.6	V418 I436 V438 V462 L467 L479 L488 L490	V418-I459 HydrophobicContact CG1-CD1 3.68Å; I436-I459 HydrophobicContact CG2-CD1 4.4Å; I436-I459 PolarHBondContact O-N 2.83Å; V438-I459 HydrophobicContact CG2-CD1 4.29Å; V438-I459 HydrophobicContact CG2-CG1 4.23Å; I459-V462 HydrophobicContact CG2-CG2 3.82Å; I459-L467 HydrophobicContact CB-CD1 3.93Å; I459-L467 HydrophobicContact CG2-CD1 3.55Å; I459-L479 HydrophobicContact CD1-CD1 4.02Å; I459-L479 HydrophobicContact CD1-CD2 4.24Å; I459-L488 HydrophobicContact CG2-CD2 4.21Å; I459-L490 HydrophobicContact CB-CD2 4.35Å; I459-L490 HydrophobicContact CG1-CD2 3.81Å
460	I	91.4	Very high	86.7	Confident	35 Å²	35	49.9 Å²	49.9	18%	0.179	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-29.1	-177.4	57.3	166.7	0	0	0	112.5	I401 Q458 S466 L467 K489 K491	I401-I460 HydrophobicContact CD1-CD1 4.46Å; I401-I460 HydrophobicContact CG2-CD1 4.13Å; Q458-I460 HydrophobicContact CB-CG2 4.49Å; Q458-I460 HydrophobicContact CG-CG2 4.06Å; Q458-I460 PolarHBondContact O-N 2.92Å; I460-S466 PolarHBondContact O-OG 2.96Å; I460-L467 PolarHBondContact O-N 3.12Å; I460-K489 HydrophobicContact CD1-CB 4.3Å; I460-K489 HydrophobicContact CD1-CD 3.75Å; I460-K489 HydrophobicContact CD1-CG 3.78Å; I460-K489 HydrophobicContact CG1-CB 3.93Å; I460-K489 HydrophobicContact CG1-CD 4.23Å; I460-K489 HydrophobicContact CG1-CG 3.98Å; I460-K489 WeakPolarHBondContact CG1-O 3.41Å; I460-K489 PolarHBondContact N-O 2.78Å; I460-K491 HydrophobicContact CD1-CB 4.42Å; I460-K491 HydrophobicContact CG2-CB 3.78Å
461	Q	92	Very high	86	Confident	51 Å²	51	51.2 Å²	51.2	24%	0.238	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	143.1	178.9	172.5	-176.4	-19.2	0	0	110.6	N463 I465 K489	Q461-N463 VanDerWaalsContact CG-O 3.3Å; Q461-N463 WeakPolarHBondContact CG-O 3.28Å; Q461-N463 PolarHBondContact NE2-O 3.4Å; Q461-I465 CarbonylContact C-O 3.58Å; Q461-I465 WeakPolarHBondContact CA-O 3.5Å; Q461-I465 WeakPolarHBondContact CG-O 3.46Å; Q461-K489 HydrophobicContact CB-CB 3.86Å; Q461-K489 PolarHBondContact N-O 3.49Å; Q461-K489 PolarHBondContact O-N 3.06Å
462	V	91	Very high	85.3	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	117.3	176.1	179.5	0	0	0	0	108.1	I459 E464 I465 L467 V478 L479 I486 T487 L488	I459-V462 HydrophobicContact CG2-CG2 3.82Å; V462-E464 PolarHBondContact O-N 3.29Å; V462-I465 PolarHBondContact N-O 3.36Å; V462-I465 WeakPolarHBondContact O-CB 3.27Å; V462-I465 PolarHBondContact O-N 3.13Å; V462-L467 HydrophobicContact CG2-CD1 3.69Å; V462-L467 HydrophobicContact CG2-CD2 4.07Å; V462-L467 HydrophobicContact CG2-CG 3.95Å; V462-V478 HydrophobicContact CB-CG1 3.71Å; V462-V478 HydrophobicContact CG1-CG1 3.92Å; V462-V478 HydrophobicContact CG2-CG1 4.28Å; V462-L479 HydrophobicContact CG1-CD2 4.3Å; V462-L479 HydrophobicContact CG2-CD2 3.5Å; V462-L479 HydrophobicContact CG2-CG 4.04Å; V462-I486 HydrophobicContact CG1-CD1 3.73Å; V462-I486 HydrophobicContact CG1-CG1 3.83Å; V462-T487 CarbonylContact C-O 3.58Å; V462-L488 HydrophobicContact CB-CD2 4.32Å; V462-L488 HydrophobicContact CG1-CD2 4.14Å; V462-L488 HydrophobicContact CG2-CD2 3.79Å
463	N	90	Very high	84.9	Confident	40 Å²	40	49.3 Å²	49.3	21%	0.214	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	-119.2	-167.5	-60.4	-15.7	0	0	0	109.4	Q461 I486 T487	Q461-N463 VanDerWaalsContact CG-O 3.3Å; Q461-N463 WeakPolarHBondContact CG-O 3.28Å; Q461-N463 PolarHBondContact NE2-O 3.4Å; N463-I486 WeakPolarHBondContact OD1-CA 3.37Å; N463-T487 PolarHBondContact N-O 3.27Å; N463-T487 PolarHBondContact OD1-N 3.49Å
464	E	86.7	Confident	84.4	Confident	169 Å²	169	54.5 Å²	54.5	79%	0.79	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	6.5	177.3	-54.6	-51.6	134.5	0	0	113	V462	V462-E464 PolarHBondContact O-N 3.29Å
465	I	87.9	Confident	84	Confident	89 Å²	89	50 Å²	50	46%	0.456	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	112.9	-174.7	-56.1	175.1	0	0	0	109.9	Q461 V462 V478	Q461-I465 CarbonylContact C-O 3.58Å; Q461-I465 WeakPolarHBondContact CA-O 3.5Å; Q461-I465 WeakPolarHBondContact CG-O 3.46Å; V462-I465 PolarHBondContact N-O 3.36Å; V462-I465 WeakPolarHBondContact O-CB 3.27Å; V462-I465 PolarHBondContact O-N 3.13Å; I465-V478 HydrophobicContact CB-CG1 4.09Å; I465-V478 HydrophobicContact CD1-CG1 4.07Å; I465-V478 HydrophobicContact CD1-CG2 4.42Å; I465-V478 HydrophobicContact CG2-CG1 4.08Å; I465-V478 HydrophobicContact CG2-CG2 4.1Å
466	S	87.6	Confident	83.7	Confident	56 Å²	56	49.8 Å²	49.8	39%	0.392	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	136.4	170.7	-170.7	0	0	0	0	110.8	I460 S468 L470	I460-S466 PolarHBondContact O-OG 2.96Å; S466-S468 PolarHBondContact OG-N 2.89Å; S466-S468 PolarHBondContact OG-OG 2.85Å; S466-L470 WeakPolarHBondContact O-CD1 3.45Å
467	L	85.2	Confident	83.4	Confident	7 Å²	7	50.2 Å²	50.2	4%	0.037	28%	0.283	C	S	.	.			trans	-91.7	-5.5	173	-59.7	-169.8	0	0	0	112.9	I436 I459 I460 V462 G469 L470 A475 V478	I436-L467 HydrophobicContact CB-CD1 4.49Å; I436-L467 HydrophobicContact CG1-CD1 4.46Å; I459-L467 HydrophobicContact CB-CD1 3.93Å; I459-L467 HydrophobicContact CG2-CD1 3.55Å; I460-L467 PolarHBondContact O-N 3.12Å; V462-L467 HydrophobicContact CG2-CD1 3.69Å; V462-L467 HydrophobicContact CG2-CD2 4.07Å; V462-L467 HydrophobicContact CG2-CG 3.95Å; L467-G469 PolarHBondContact O-N 2.9Å; L467-L470 HydrophobicContact CD2-CD1 3.84Å; L467-L470 PolarHBondContact O-N 2.75Å; L467-L470 VanDerWaalsContact O-N 3.16Å; L467-A475 HydrophobicContact CD1-CB 4.35Å; L467-A475 HydrophobicContact CD2-CB 4.12Å; L467-V478 HydrophobicContact CD2-CB 4.12Å; L467-V478 HydrophobicContact CD2-CG1 4.01Å
468	S	77.2	Confident	83.1	Confident	90 Å²	90	51.2 Å²	51.2	63%	0.629	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	121.2	177.9	59.7	0	0	0	0	111.2	S466 L470	S466-S468 PolarHBondContact OG-N 2.89Å; S466-S468 PolarHBondContact OG-OG 2.85Å; S468-L470 VanDerWaalsContact C-N 3.25Å; S468-L470 PolarHBondContact O-N 2.82Å
469	G	68.6	Low	82.7	Confident	67 Å²	67	51.3 Å²	51.3	69%	0.691	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	-0.8	178.3	0	0	0	0	0	115.7	L467	L467-G469 PolarHBondContact O-N 2.9Å
470	L	72.8	Confident	82.2	Confident	47 Å²	47	59 Å²	59	25%	0.246	32%	0.323	C	S	.	.			trans	-72.8	144.6	173.2	-65.1	-173.7	0	0	0	111	S466 L467 S468 K474 A475 V478	S466-L470 WeakPolarHBondContact O-CD1 3.45Å; L467-L470 HydrophobicContact CD2-CD1 3.84Å; L467-L470 PolarHBondContact O-N 2.75Å; L467-L470 VanDerWaalsContact O-N 3.16Å; S468-L470 VanDerWaalsContact C-N 3.25Å; S468-L470 PolarHBondContact O-N 2.82Å; L470-K474 HydrophobicContact CB-CB 4.49Å; L470-A475 HydrophobicContact CB-CB 4.32Å; L470-V478 HydrophobicContact CD1-CG2 4.42Å
471	D	70	Confident	81.5	Confident	63 Å²	63	65.2 Å²	65.2	34%	0.337	35%	0.349	S	S	.	.			trans	-66.8	158.2	167.3	61.6	48.5	0	0	0	111	L473 K474 A475	D471-L473 VanDerWaalsContact C-N 3.26Å; D471-L473 PolarHBondContact O-N 3.04Å; D471-L473 PolarHBondContact OD1-N 3.09Å; D471-K474 PolarHBondContact O-N 3.39Å; D471-K474 WeakPolarHBondContact OD1-CA 3.49Å; D471-K474 WeakPolarHBondContact OD1-CB 3.47Å; D471-K474 WeakPolarHBondContact OD1-CG 3.47Å; D471-K474 PolarHBondContact OD1-N 3.35Å; D471-K474 WeakPolarHBondContact OD2-CD 3.43Å; D471-K474 WeakPolarHBondContact OD2-CE 3.37Å; D471-K474 IonicContact OD2-NZ 4Å; D471-K474 PolarHBondContact OD2-NZ 2.6Å; D471-A475 WeakPolarHBondContact O-CB 3.3Å; D471-A475 PolarHBondContact O-N 2.85Å
472	N	70.5	Confident	80.4	Confident	12 Å²	12	63.3 Å²	63.3	6%	0.064	34%	0.341	C	S	.	.	H	α-helix	trans	-59.1	-38.6	-176	-77	-5.4	0	0	0	112.8	G420 I436 A475 I476 Y545	G420-N472 WeakPolarHBondContact CA-ND2 3.33Å; G420-N472 WeakPolarHBondContact CA-OD1 3.04Å; I436-N472 WeakPolarHBondContact CD1-OD1 3.19Å; N472-A475 PolarHBondContact O-N 3.16Å; N472-I476 VanDerWaalsContact O-CB 3.31Å; N472-I476 WeakPolarHBondContact O-CB 3.38Å; N472-I476 WeakPolarHBondContact O-CD1 3.36Å; N472-I476 WeakPolarHBondContact O-CG1 3.32Å; N472-I476 PolarHBondContact O-N 3.4Å; N472-Y545 HydrophobicContact CB-CE2 4.11Å; N472-Y545 WeakPolarHBondContact ND2-CD2 3.4Å; N472-Y545 WeakPolarHBondContact ND2-CE2 3.25Å; N472-Y545 PolarHBondContact ND2-O 3.17Å; N472-Y545 WeakPolarHBondContact OD1-CE2 3.34Å; N472-Y545 PolarHBondContact OD1-OH 2.73Å
473	L	77.5	Confident	79.4	Confident	95 Å²	95	68.9 Å²	68.9	50%	0.497	37%	0.371	S	S	.	.	H	α-helix	trans	-66	-44.9	-178	-67.5	176	0	0	0	110.9	D471 S477	D471-L473 VanDerWaalsContact C-N 3.26Å; D471-L473 PolarHBondContact O-N 3.04Å; D471-L473 PolarHBondContact OD1-N 3.09Å; L473-S477 WeakPolarHBondContact O-CB 3.32Å; L473-S477 PolarHBondContact O-N 2.88Å
474	K	81	Confident	78.9	Confident	116 Å²	116	71 Å²	71	50%	0.504	39%	0.386	S	S	.	.	H	α-helix	trans	-65.1	-45.6	175.2	-73.4	173.1	-169.9	140.7	0	110.8	L470 D471 I476 S477 V478	L470-K474 HydrophobicContact CB-CB 4.49Å; D471-K474 PolarHBondContact O-N 3.39Å; D471-K474 WeakPolarHBondContact OD1-CA 3.49Å; D471-K474 WeakPolarHBondContact OD1-CB 3.47Å; D471-K474 WeakPolarHBondContact OD1-CG 3.47Å; D471-K474 PolarHBondContact OD1-N 3.35Å; D471-K474 WeakPolarHBondContact OD2-CD 3.43Å; D471-K474 WeakPolarHBondContact OD2-CE 3.37Å; D471-K474 IonicContact OD2-NZ 4Å; D471-K474 PolarHBondContact OD2-NZ 2.6Å; K474-I476 PolarHBondContact O-N 2.95Å; K474-S477 WeakPolarHBondContact CA-OG 3.45Å; K474-S477 WeakPolarHBondContact O-CA 3.47Å; K474-S477 WeakPolarHBondContact O-CB 3.48Å; K474-S477 PolarHBondContact O-N 3.33Å; K474-S477 PolarHBondContact O-OG 3.25Å; K474-V478 WeakPolarHBondContact O-CG2 3.27Å; K474-V478 PolarHBondContact O-N 3.02Å
475	A	81.1	Confident	78.8	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-62.4	-41.9	179.2	0	0	0	0	0	112.6	I436 L467 L470 D471 N472 S477 V478 L479	I436-A475 HydrophobicContact CD1-CB 3.81Å; I436-A475 HydrophobicContact CG1-CB 3.6Å; L467-A475 HydrophobicContact CD1-CB 4.35Å; L467-A475 HydrophobicContact CD2-CB 4.12Å; L470-A475 HydrophobicContact CB-CB 4.32Å; D471-A475 WeakPolarHBondContact O-CB 3.3Å; D471-A475 PolarHBondContact O-N 2.85Å; N472-A475 PolarHBondContact O-N 3.16Å; A475-S477 VanDerWaalsContact C-N 3.32Å; A475-S477 PolarHBondContact O-N 2.87Å; A475-V478 PolarHBondContact O-N 3.34Å; A475-L479 PolarHBondContact O-N 3.27Å
476	I	82.4	Confident	78.9	Confident	57 Å²	57	61.6 Å²	61.6	29%	0.292	35%	0.346	S	S	.	.	H	α-helix	trans	-63.6	-39.6	172.4	-68.5	165.2	0	0	0	110.5	V418 N472 K474 V478 L479 K480	V418-I476 HydrophobicContact CG2-CG1 4.14Å; N472-I476 VanDerWaalsContact O-CB 3.31Å; N472-I476 WeakPolarHBondContact O-CB 3.38Å; N472-I476 WeakPolarHBondContact O-CD1 3.36Å; N472-I476 WeakPolarHBondContact O-CG1 3.32Å; N472-I476 PolarHBondContact O-N 3.4Å; K474-I476 PolarHBondContact O-N 2.95Å; I476-V478 VanDerWaalsContact C-N 3.3Å; I476-V478 PolarHBondContact O-N 2.9Å; I476-L479 PolarHBondContact O-N 3.3Å; I476-K480 HydrophobicContact CG2-CD 3.94Å; I476-K480 HydrophobicContact CG2-CG 4.25Å; I476-K480 WeakPolarHBondContact O-CB 3.11Å; I476-K480 WeakPolarHBondContact O-CG 3.38Å; I476-K480 PolarHBondContact O-N 2.67Å
477	S	82.9	Confident	79	Confident	39 Å²	39	60.6 Å²	60.6	27%	0.273	34%	0.338	S	S	.	.	H	α-helix	trans	-62.3	-37.8	176.9	84.9	0	0	0	0	112	L473 K474 A475 K480 K481	L473-S477 WeakPolarHBondContact O-CB 3.32Å; L473-S477 PolarHBondContact O-N 2.88Å; K474-S477 WeakPolarHBondContact CA-OG 3.45Å; K474-S477 WeakPolarHBondContact O-CA 3.47Å; K474-S477 WeakPolarHBondContact O-CB 3.48Å; K474-S477 PolarHBondContact O-N 3.33Å; K474-S477 PolarHBondContact O-OG 3.25Å; A475-S477 VanDerWaalsContact C-N 3.32Å; A475-S477 PolarHBondContact O-N 2.87Å; S477-K480 PolarHBondContact O-N 3.21Å; S477-K481 VanDerWaalsContact O-CB 3.25Å; S477-K481 WeakPolarHBondContact O-CB 3.35Å; S477-K481 WeakPolarHBondContact O-CG 3.33Å; S477-K481 PolarHBondContact O-N 2.99Å
478	V	85.7	Confident	79.3	Confident	22 Å²	22	60.3 Å²	60.3	13%	0.133	34%	0.336	C	S	.	.	H	α-helix	trans	-66	-46	175.8	172.3	0	0	0	0	110.5	V462 I465 L467 L470 K474 A475 I476 K480 K481 S482	V462-V478 HydrophobicContact CB-CG1 3.71Å; V462-V478 HydrophobicContact CG1-CG1 3.92Å; V462-V478 HydrophobicContact CG2-CG1 4.28Å; I465-V478 HydrophobicContact CB-CG1 4.09Å; I465-V478 HydrophobicContact CD1-CG1 4.07Å; I465-V478 HydrophobicContact CD1-CG2 4.42Å; I465-V478 HydrophobicContact CG2-CG1 4.08Å; I465-V478 HydrophobicContact CG2-CG2 4.1Å; L467-V478 HydrophobicContact CD2-CB 4.12Å; L467-V478 HydrophobicContact CD2-CG1 4.01Å; L470-V478 HydrophobicContact CD1-CG2 4.42Å; K474-V478 WeakPolarHBondContact O-CG2 3.27Å; K474-V478 PolarHBondContact O-N 3.02Å; A475-V478 PolarHBondContact O-N 3.34Å; I476-V478 VanDerWaalsContact C-N 3.3Å; I476-V478 PolarHBondContact O-N 2.9Å; V478-K480 VanDerWaalsContact C-N 3.3Å; V478-K480 PolarHBondContact O-N 3.31Å; V478-K481 PolarHBondContact O-N 2.7Å; V478-S482 PolarHBondContact O-N 3.21Å
479	L	83	Confident	80	Confident	19 Å²	19	59.5 Å²	59.5	10%	0.099	32%	0.322	C	S	.	.	H	α-helix	trans	-60.5	-38.8	174.9	-74.5	166.9	0	0	0	112.2	V418 I459 V462 A475 I476 S482 I486 L488	V418-L479 HydrophobicContact CG1-CD1 4.17Å; V418-L479 HydrophobicContact CG2-CD1 4.25Å; I459-L479 HydrophobicContact CD1-CD1 4.02Å; I459-L479 HydrophobicContact CD1-CD2 4.24Å; V462-L479 HydrophobicContact CG1-CD2 4.3Å; V462-L479 HydrophobicContact CG2-CD2 3.5Å; V462-L479 HydrophobicContact CG2-CG 4.04Å; A475-L479 PolarHBondContact O-N 3.27Å; I476-L479 PolarHBondContact O-N 3.3Å; L479-S482 PolarHBondContact O-OG 3.3Å; L479-I486 HydrophobicContact CD2-CD1 4.34Å; L479-L488 HydrophobicContact CD2-CD2 3.94Å
480	K	81.9	Confident	81.1	Confident	164 Å²	164	56.3 Å²	56.3	71%	0.713	29%	0.289	S	S	*	.	H	α-helix	trans	-73	-38.8	178.3	-75.1	-178.9	177.7	-178.4	0	113.4	I476 S477 V478 S482	I476-K480 HydrophobicContact CG2-CD 3.94Å; I476-K480 HydrophobicContact CG2-CG 4.25Å; I476-K480 WeakPolarHBondContact O-CB 3.11Å; I476-K480 WeakPolarHBondContact O-CG 3.38Å; I476-K480 PolarHBondContact O-N 2.67Å; S477-K480 PolarHBondContact O-N 3.21Å; V478-K480 VanDerWaalsContact C-N 3.3Å; V478-K480 PolarHBondContact O-N 3.31Å; K480-S482 VanDerWaalsContact C-N 3.29Å; K480-S482 PolarHBondContact O-N 2.87Å
481	K	76.7	Confident	81.9	Confident	166 Å²	166	55.5 Å²	55.5	72%	0.722	28%	0.283	S	S	*	.	H	α-helix	trans	-75.1	-13.6	-178.6	-77.2	176.2	179.9	-179.8	0	114.2	S477 V478	S477-K481 VanDerWaalsContact O-CB 3.25Å; S477-K481 WeakPolarHBondContact O-CB 3.35Å; S477-K481 WeakPolarHBondContact O-CG 3.33Å; S477-K481 PolarHBondContact O-N 2.99Å; V478-K481 PolarHBondContact O-N 2.7Å
482	S	69.3	Low	82.8	Confident	10 Å²	10	54 Å²	54	7%	0.07	27%	0.273	C	S	.	.			trans	-50.2	141.8	177.8	58.3	0	0	0	0	112.5	K408 V478 L479 K480 I486	K408-S482 VanDerWaalsContact CE-O 3.29Å; K408-S482 WeakPolarHBondContact CE-O 3.48Å; K408-S482 PolarHBondContact NZ-O 2.95Å; K408-S482 PolarHBondContact NZ-OG 3.36Å; V478-S482 PolarHBondContact O-N 3.21Å; L479-S482 PolarHBondContact O-OG 3.3Å; K480-S482 VanDerWaalsContact C-N 3.29Å; K480-S482 PolarHBondContact O-N 2.87Å; S482-I486 VanDerWaalsContact CB-CD1 3.47Å; S482-I486 WeakPolarHBondContact OG-CD1 3.22Å
483	D	69.4	Low	83.5	Confident	119 Å²	119	54.2 Å²	54.2	64%	0.636	27%	0.273	S	S	*	.			trans	-73.2	-174.4	178.6	-66.4	-52.3	0	0	0	112.5	K408 S485	K408-D483 WeakPolarHBondContact CE-O 3.4Å; D483-S485 PolarHBondContact O-N 3.38Å; D483-S485 VanDerWaalsContact O-N 3.09Å
484	T	79.9	Confident	83.6	Confident	85 Å²	85	53.3 Å²	53.3	52%	0.521	27%	0.268	S	S	.	.	S	Bend	trans	-48.8	-31.1	172.6	-46.4	0	0	0	0	112.8	T407 K408	T407-T484 CarbonylContact C-O 3.56Å; T407-T484 VanDerWaalsContact CA-O 3.29Å; T407-T484 WeakPolarHBondContact CA-O 3.34Å; T407-T484 HydrophobicContact CG2-CG2 4.24Å; K408-T484 PolarHBondContact N-O 3.18Å; K408-T484 WeakPolarHBondContact O-CG2 3.42Å
485	S	84.2	Confident	83.2	Confident	59 Å²	59	50.1 Å²	50.1	41%	0.413	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.1	174.1	-170.2	0	0	0	0	109.8	D483	D483-S485 PolarHBondContact O-N 3.38Å; D483-S485 VanDerWaalsContact O-N 3.09Å
486	I	89.1	Confident	82.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.5	177	-166.6	179.4	0	0	0	109.8	Q405 L406 L414 V462 N463 L479 S482 L488	Q405-I486 WeakPolarHBondContact CA-O 3.36Å; L406-I486 HydrophobicContact CB-CG2 3.68Å; L406-I486 HydrophobicContact CD1-CG2 4.33Å; L406-I486 HydrophobicContact CG-CG2 4.38Å; L406-I486 PolarHBondContact N-O 3.17Å; L406-I486 PolarHBondContact O-N 3.37Å; L414-I486 HydrophobicContact CD1-CD1 3.69Å; L414-I486 HydrophobicContact CD1-CG2 4.31Å; L414-I486 HydrophobicContact CD2-CG2 3.68Å; V462-I486 HydrophobicContact CG1-CD1 3.73Å; V462-I486 HydrophobicContact CG1-CG1 3.83Å; N463-I486 WeakPolarHBondContact OD1-CA 3.37Å; L479-I486 HydrophobicContact CD2-CD1 4.34Å; S482-I486 VanDerWaalsContact CB-CD1 3.47Å; S482-I486 WeakPolarHBondContact OG-CD1 3.22Å; I486-L488 HydrophobicContact CD1-CD2 3.72Å; I486-L488 HydrophobicContact CD1-CG 4.38Å; I486-L488 HydrophobicContact CG1-CD2 3.98Å; I486-L488 HydrophobicContact CG1-CG 4.41Å
487	T	89.7	Confident	82.4	Confident	36 Å²	36	49.9 Å²	49.9	22%	0.221	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	115.1	173.8	-58.9	0	0	0	0	108.2	T403 V404 Q405 V462 N463	T403-T487 HydrophobicContact CG2-CG2 3.36Å; V404-T487 CarbonylContact O-C 3.53Å; V404-T487 WeakPolarHBondContact O-CA 3.48Å; Q405-T487 HydrophobicContact CG-CG2 4.2Å; V462-T487 CarbonylContact C-O 3.58Å; N463-T487 PolarHBondContact N-O 3.27Å; N463-T487 PolarHBondContact OD1-N 3.49Å
488	L	91.5	Very high	82.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123	176.9	-61.1	179.8	0	0	0	109.2	T403 V404 L406 L416 I453 I459 V462 L479 I486 L490	T403-L488 CarbonylContact C-O 3.5Å; T403-L488 WeakPolarHBondContact CA-O 3.34Å; V404-L488 PolarHBondContact N-O 3.43Å; V404-L488 PolarHBondContact O-N 2.91Å; L406-L488 HydrophobicContact CD1-CD1 4.12Å; L416-L488 HydrophobicContact CD1-CD1 4.03Å; I453-L488 HydrophobicContact CD1-CD1 3.96Å; I459-L488 HydrophobicContact CG2-CD2 4.21Å; V462-L488 HydrophobicContact CB-CD2 4.32Å; V462-L488 HydrophobicContact CG1-CD2 4.14Å; V462-L488 HydrophobicContact CG2-CD2 3.79Å; L479-L488 HydrophobicContact CD2-CD2 3.94Å; I486-L488 HydrophobicContact CD1-CD2 3.72Å; I486-L488 HydrophobicContact CD1-CG 4.38Å; I486-L488 HydrophobicContact CG1-CD2 3.98Å; I486-L488 HydrophobicContact CG1-CG 4.41Å; L488-L490 HydrophobicContact CB-CD1 4.35Å; L488-L490 HydrophobicContact CB-CG 4.24Å
489	K	92.2	Very high	81.9	Confident	74 Å²	74	47.4 Å²	47.4	32%	0.322	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	122.6	164	-159.2	-176.1	175.9	173.9	0	107.3	I401 I460 Q461	I401-K489 HydrophobicContact CG2-CD 4.33Å; I401-K489 VanDerWaalsContact CG2-CE 3.5Å; I401-K489 HydrophobicContact CG2-CG 3.99Å; I460-K489 HydrophobicContact CD1-CB 4.3Å; I460-K489 HydrophobicContact CD1-CD 3.75Å; I460-K489 HydrophobicContact CD1-CG 3.78Å; I460-K489 HydrophobicContact CG1-CB 3.93Å; I460-K489 HydrophobicContact CG1-CD 4.23Å; I460-K489 HydrophobicContact CG1-CG 3.98Å; I460-K489 WeakPolarHBondContact CG1-O 3.41Å; I460-K489 PolarHBondContact N-O 2.78Å; Q461-K489 HydrophobicContact CB-CB 3.86Å; Q461-K489 PolarHBondContact N-O 3.49Å; Q461-K489 PolarHBondContact O-N 3.06Å
490	L	92.2	Very high	81.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.2	-172.7	-65.7	157.3	0	0	0	109.1	I401 H402 V404 I453 D457 Q458 I459 L488	I401-L490 WeakPolarHBondContact CA-O 3.43Å; H402-L490 VanDerWaalsContact CE1-CD1 3.41Å; H402-L490 WeakPolarHBondContact CE1-CD1 3.38Å; H402-L490 PolarHBondContact N-O 3.39Å; H402-L490 PolarHBondContact O-N 3.28Å; V404-L490 HydrophobicContact CB-CD1 4.29Å; V404-L490 HydrophobicContact CG2-CD1 3.76Å; I453-L490 HydrophobicContact CB-CD1 4.45Å; I453-L490 HydrophobicContact CD1-CD1 4.31Å; I453-L490 HydrophobicContact CG1-CD1 3.82Å; I453-L490 HydrophobicContact CG2-CD1 4.27Å; D457-L490 HydrophobicContact CB-CD2 4.07Å; Q458-L490 CarbonylContact O-C 3.54Å; Q458-L490 VanDerWaalsContact O-CA 3.28Å; Q458-L490 WeakPolarHBondContact O-CA 3.48Å; I459-L490 HydrophobicContact CB-CD2 4.35Å; I459-L490 HydrophobicContact CG1-CD2 3.81Å; L488-L490 HydrophobicContact CB-CD1 4.35Å; L488-L490 HydrophobicContact CB-CG 4.24Å
491	K	90.3	Very high	81.5	Confident	30 Å²	30	43.1 Å²	43.1	13%	0.13	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119.1	170.7	179.3	175.2	178.6	172.3	0	108.2	T399 E400 I401 Q458 I460 Y493	T399-K491 VanDerWaalsContact CB-CE 3.46Å; T399-K491 VanDerWaalsContact OG1-CE 3.3Å; T399-K491 WeakPolarHBondContact OG1-CE 3.32Å; E400-K491 CarbonylContact O-C 3.57Å; E400-K491 WeakPolarHBondContact O-CA 3.5Å; I401-K491 HydrophobicContact CG1-CB 4.39Å; I401-K491 HydrophobicContact CG1-CG 4.34Å; Q458-K491 HydrophobicContact CB-CB 4.29Å; Q458-K491 WeakPolarHBondContact CB-O 3.44Å; Q458-K491 PolarHBondContact N-O 3.31Å; Q458-K491 PolarHBondContact O-N 3.5Å; I460-K491 HydrophobicContact CD1-CB 4.42Å; I460-K491 HydrophobicContact CG2-CB 3.78Å; K491-Y493 HydrophobicContact CD-CE2 4.37Å; K491-Y493 HydrophobicContact CG-CE2 4.23Å
492	R	88.4	Confident	81.8	Confident	30 Å²	30	35.3 Å²	35.3	11%	0.113	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131	178.1	-177.3	174.8	-63.4	134.9	0.8	109.8	T399 E400 H402 S452 D457 L494	T399-R492 CarbonylContact C-O 3.6Å; T399-R492 WeakPolarHBondContact CA-O 3.43Å; T399-R492 WeakPolarHBondContact CB-O 3.21Å; E400-R492 HydrophobicContact CB-CB 4.37Å; E400-R492 PolarHBondContact N-O 2.94Å; E400-R492 PolarHBondContact O-N 3.35Å; E400-R492 IonicContact OE2-CZ 3.76Å; E400-R492 IonicContact OE2-NH1 3.01Å; E400-R492 PolarHBondContact OE2-NH1 3.12Å; H402-R492 PolarHBondContact NE2-NH2 3.38Å; S452-R492 PolarHBondContact O-NH2 3.46Å; S452-R492 VanDerWaalsContact O-NH2 3.11Å; D457-R492 WeakPolarHBondContact OD1-CG 3.18Å; D457-R492 IonicContact OD1-CZ 3.73Å; D457-R492 IonicContact OD1-NE 3.76Å; D457-R492 PolarHBondContact OD1-NE 3.11Å; D457-R492 IonicContact OD1-NH2 3.43Å; D457-R492 PolarHBondContact OD1-NH2 2.66Å; D457-R492 IonicContact OD2-CZ 3.27Å; D457-R492 IonicContact OD2-NE 3.62Å; D457-R492 IonicContact OD2-NH2 2.85Å; D457-R492 PolarHBondContact OD2-NH2 3.01Å; R492-L494 HydrophobicContact CG-CD2 4.09Å
493	Y	85	Confident	82.3	Confident	18 Å²	18	40.7 Å²	40.7	7%	0.071	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	105.6	177.4	-69	-95	0	0	0	109.4	E397 T399 F437 Q458 K491 L498 C499 L502	E397-Y493 VanDerWaalsContact OE2-CE1 3.3Å; E397-Y493 WeakPolarHBondContact OE2-CE1 3.1Å; T399-Y493 HydrophobicContact CG2-CD1 3.67Å; T399-Y493 HydrophobicContact CG2-CE1 3.87Å; T399-Y493 HydrophobicContact CG2-CG 4.3Å; F437-Y493 HydrophobicContact CE1-CD2 4.45Å; F437-Y493 AromaticContact CE1-CE2 3.99Å; F437-Y493 HydrophobicContact CE1-CE2 3.99Å; Q458-Y493 HydrophobicContact CB-CE2 4.2Å; Q458-Y493 PolarHBondContact OE1-OH 3.16Å; Q458-Y493 VanDerWaalsContact OE1-OH 3.1Å; K491-Y493 HydrophobicContact CD-CE2 4.37Å; K491-Y493 HydrophobicContact CG-CE2 4.23Å; Y493-L498 HydrophobicContact CD1-CB 4.15Å; Y493-L498 HydrophobicContact CD1-CD2 4.03Å; Y493-L498 HydrophobicContact CD2-CD2 4.39Å; Y493-L498 HydrophobicContact CE1-CB 4.22Å; Y493-L498 HydrophobicContact CE1-CD2 3.46Å; Y493-L498 VanDerWaalsContact CE1-CD2 3.46Å; Y493-L498 HydrophobicContact CE1-CG 4.38Å; Y493-L498 HydrophobicContact CE2-CD2 3.9Å; Y493-L498 HydrophobicContact CG-CD2 4.45Å; Y493-C499 PolarHBondContact O-SG 3.46Å; Y493-L502 HydrophobicContact CD2-CD1 4.21Å
494	L	78.9	Confident	82.6	Confident	76 Å²	76	40.9 Å²	40.9	40%	0.398	21%	0.206	S	C	.	.			trans	-80.1	-39.9	-176.2	-58.8	179.8	0	0	0	111.3	E398 E400 R492	E398-L494 HydrophobicContact CB-CB 4.3Å; E398-L494 WeakPolarHBondContact O-CB 3.47Å; E398-L494 PolarHBondContact O-N 3.17Å; E400-L494 HydrophobicContact CB-CD1 4.05Å; E400-L494 HydrophobicContact CB-CD2 4.28Å; E400-L494 HydrophobicContact CB-CG 4.21Å; R492-L494 HydrophobicContact CG-CD2 4.09Å
495	C	73.2	Confident	82.1	Confident	48 Å²	48	38.1 Å²	38.1	32%	0.324	19%	0.192	S	C	.	.	S	Bend	trans	-149	-177.7	172.6	73.4	0	0	0	0	111.8	E398	E398-C495 WeakPolarHBondContact CB-SG 3.45Å; E398-C495 WeakPolarHBondContact CG-SG 3.42Å; E398-C495 PolarHBondContact O-N 3.37Å
496	G	72.8	Confident	80.9	Confident	6 Å²	6	36.1 Å²	36.1	6%	0.062	18%	0.181	C	C	.	.	S	Bend	trans	96.9	178.4	-178.8	0	0	0	0	0	114.1	L498 C499 K500	G496-L498 PolarHBondContact O-N 3.36Å; G496-C499 WeakPolarHBondContact O-CB 3.39Å; G496-C499 PolarHBondContact O-N 2.87Å; G496-K500 PolarHBondContact O-N 3.47Å
497	F	74.2	Confident	78.9	Confident	47 Å²	47	40.6 Å²	40.6	21%	0.206	21%	0.212	C	C	.	.	H	α-helix	trans	-53.2	-54	-176	173.1	-103.9	0	0	0	112.7	P41 C499 K500 E501 S541	P41-F497 HydrophobicContact CG-CD2 4.07Å; P41-F497 HydrophobicContact CG-CE2 3.97Å; F497-C499 VanDerWaalsContact C-N 3.29Å; F497-C499 PolarHBondContact O-N 3.33Å; F497-K500 WeakPolarHBondContact O-CB 3.32Å; F497-K500 PolarHBondContact O-N 2.95Å; F497-E501 HydrophobicContact CD1-CG 4.35Å; F497-E501 HydrophobicContact CD2-CG 4.24Å; F497-E501 HydrophobicContact CE1-CG 4.05Å; F497-E501 HydrophobicContact CE2-CG 3.92Å; F497-E501 HydrophobicContact CG-CG 4.47Å; F497-E501 HydrophobicContact CZ-CG 3.87Å; F497-E501 PolarHBondContact O-N 3.24Å; F497-S541 WeakPolarHBondContact CZ-OG 3.31Å
498	L	77.9	Confident	76.6	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-66	-33.3	-175	-163.6	68.7	0	0	0	112.4	E397 Y423 F437 Y493 G496 K500 E501 L502 V542	E397-L498 WeakPolarHBondContact OE1-CB 3.44Å; Y423-L498 HydrophobicContact CD1-CD1 4.43Å; Y423-L498 HydrophobicContact CD2-CD1 3.43Å; Y423-L498 VanDerWaalsContact CD2-CD1 3.43Å; Y423-L498 HydrophobicContact CD2-CD2 3.62Å; Y423-L498 HydrophobicContact CD2-CG 4.16Å; Y423-L498 HydrophobicContact CE1-CD2 4.46Å; Y423-L498 HydrophobicContact CE2-CD1 4.16Å; Y423-L498 HydrophobicContact CE2-CD2 3.42Å; Y423-L498 VanDerWaalsContact CE2-CD2 3.42Å; Y423-L498 HydrophobicContact CE2-CG 4.42Å; Y423-L498 HydrophobicContact CG-CD1 3.58Å; Y423-L498 HydrophobicContact CG-CD2 4.21Å; F437-L498 HydrophobicContact CZ-CD2 4.41Å; Y493-L498 HydrophobicContact CD1-CB 4.15Å; Y493-L498 HydrophobicContact CD1-CD2 4.03Å; Y493-L498 HydrophobicContact CD2-CD2 4.39Å; Y493-L498 HydrophobicContact CE1-CB 4.22Å; Y493-L498 HydrophobicContact CE1-CD2 3.46Å; Y493-L498 VanDerWaalsContact CE1-CD2 3.46Å; Y493-L498 HydrophobicContact CE1-CG 4.38Å; Y493-L498 HydrophobicContact CE2-CD2 3.9Å; Y493-L498 HydrophobicContact CG-CD2 4.45Å; G496-L498 PolarHBondContact O-N 3.36Å; L498-K500 VanDerWaalsContact C-N 3.28Å; L498-K500 PolarHBondContact O-N 2.99Å; L498-E501 PolarHBondContact O-N 3.24Å; L498-L502 HydrophobicContact CD1-CG 4.47Å; L498-L502 HydrophobicContact CD2-CD1 4.23Å; L498-L502 HydrophobicContact CG-CD1 3.89Å; L498-L502 HydrophobicContact CG-CG 4.12Å; L498-L502 WeakPolarHBondContact O-CB 3.45Å; L498-L502 VanDerWaalsContact O-CG 3.23Å; L498-L502 WeakPolarHBondContact O-CG 3.28Å; L498-L502 PolarHBondContact O-N 3.5Å; L498-V542 HydrophobicContact CD1-CG2 3.76Å
499	C	80.9	Confident	73.9	Confident	8 Å²	8	52.8 Å²	52.8	5%	0.054	26%	0.264	C	S	.	.	H	α-helix	trans	-57.8	-41.9	173.6	-176.7	0	0	0	0	111.6	Y493 G496 F497 K503	Y493-C499 PolarHBondContact O-SG 3.46Å; G496-C499 WeakPolarHBondContact O-CB 3.39Å; G496-C499 PolarHBondContact O-N 2.87Å; F497-C499 VanDerWaalsContact C-N 3.29Å; F497-C499 PolarHBondContact O-N 3.33Å; C499-K503 WeakPolarHBondContact O-CD 3.24Å; C499-K503 VanDerWaalsContact O-CG 3.28Å; C499-K503 WeakPolarHBondContact O-CG 3.22Å; C499-K503 PolarHBondContact O-N 2.95Å; C499-K503 PolarHBondContact SG-NZ 3.38Å
500	K	77.9	Confident	71	Confident	70 Å²	70	53.7 Å²	53.7	30%	0.304	28%	0.276	S	S	.	.	H	α-helix	trans	-70.4	-45.5	178.4	-64.7	170.2	-175.8	160	0	111.1	E395 G496 F497 L498 K503 K504	E395-K500 IonicContact OE1-NZ 2.83Å; E395-K500 PolarHBondContact OE1-NZ 3.28Å; E395-K500 IonicContact OE2-NZ 3.56Å; E395-K500 PolarHBondContact OE2-NZ 3.01Å; G496-K500 PolarHBondContact O-N 3.47Å; F497-K500 WeakPolarHBondContact O-CB 3.32Å; F497-K500 PolarHBondContact O-N 2.95Å; L498-K500 VanDerWaalsContact C-N 3.28Å; L498-K500 PolarHBondContact O-N 2.99Å; K500-K503 PolarHBondContact O-N 3.21Å; K500-K504 WeakPolarHBondContact O-CG 3.44Å; K500-K504 PolarHBondContact O-N 2.9Å; K500-K504 VanDerWaalsContact O-N 3.14Å
501	E	78.4	Confident	67.7	Low	23 Å²	23	58.1 Å²	58.1	11%	0.107	31%	0.307	C	S	.	.	H	α-helix	trans	-65.8	-41.8	-178	-68.3	-60.1	110.1	0	0	112.6	F497 L498 K503 K504 A505 S541 V542	F497-E501 HydrophobicContact CD1-CG 4.35Å; F497-E501 HydrophobicContact CD2-CG 4.24Å; F497-E501 HydrophobicContact CE1-CG 4.05Å; F497-E501 HydrophobicContact CE2-CG 3.92Å; F497-E501 HydrophobicContact CG-CG 4.47Å; F497-E501 HydrophobicContact CZ-CG 3.87Å; F497-E501 PolarHBondContact O-N 3.24Å; L498-E501 PolarHBondContact O-N 3.24Å; E501-K503 VanDerWaalsContact C-N 3.32Å; E501-K503 PolarHBondContact O-N 2.76Å; E501-K504 PolarHBondContact O-N 3.4Å; E501-K504 IonicContact OE1-NZ 3.98Å; E501-K504 PolarHBondContact OE1-NZ 2.89Å; E501-A505 WeakPolarHBondContact O-CB 3.49Å; E501-A505 PolarHBondContact O-N 3.43Å; E501-S541 PolarHBondContact OE2-OG 3.47Å; E501-V542 HydrophobicContact CB-CB 4.44Å; E501-V542 HydrophobicContact CB-CG2 3.48Å; E501-V542 VanDerWaalsContact CB-CG2 3.48Å; E501-V542 HydrophobicContact CG-CG2 4.3Å
502	L	81.9	Confident	64.8	Low	2 Å²	2	62.1 Å²	62.1	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-63.2	-36.6	175.4	-70	168.9	0	0	0	112.2	Y421 F437 N456 Y493 L498 A505 G506 V542	Y421-L502 HydrophobicContact CD2-CD2 3.61Å; Y421-L502 HydrophobicContact CE2-CD2 3.75Å; Y421-L502 HydrophobicContact CG-CD2 4.41Å; F437-L502 HydrophobicContact CD1-CD1 3.87Å; F437-L502 HydrophobicContact CD1-CD2 3.94Å; F437-L502 HydrophobicContact CE1-CD1 3.53Å; F437-L502 HydrophobicContact CE1-CD2 3.99Å; F437-L502 HydrophobicContact CE1-CG 4.42Å; F437-L502 HydrophobicContact CG-CD2 4.29Å; F437-L502 HydrophobicContact CZ-CD1 4.37Å; F437-L502 HydrophobicContact CZ-CD2 4.37Å; N456-L502 HydrophobicContact CB-CB 4.14Å; N456-L502 HydrophobicContact CB-CD1 4.5Å; Y493-L502 HydrophobicContact CD2-CD1 4.21Å; L498-L502 HydrophobicContact CD1-CG 4.47Å; L498-L502 HydrophobicContact CD2-CD1 4.23Å; L498-L502 HydrophobicContact CG-CD1 3.89Å; L498-L502 HydrophobicContact CG-CG 4.12Å; L498-L502 WeakPolarHBondContact O-CB 3.45Å; L498-L502 VanDerWaalsContact O-CG 3.23Å; L498-L502 WeakPolarHBondContact O-CG 3.28Å; L498-L502 PolarHBondContact O-N 3.5Å; L502-A505 PolarHBondContact O-N 2.79Å; L502-G506 PolarHBondContact O-N 3.18Å; L502-V542 HydrophobicContact CD2-CG1 4.42Å
503	K	81.4	Confident	61.8	Low	123 Å²	123	68.2 Å²	68.2	54%	0.535	37%	0.365	S	S	.	.	H	α-helix	trans	-65.3	-38.1	174.8	-74.9	170.6	-178.1	166.9	0	112	C499 K500 E501 S507	C499-K503 WeakPolarHBondContact O-CD 3.24Å; C499-K503 VanDerWaalsContact O-CG 3.28Å; C499-K503 WeakPolarHBondContact O-CG 3.22Å; C499-K503 PolarHBondContact O-N 2.95Å; C499-K503 PolarHBondContact SG-NZ 3.38Å; K500-K503 PolarHBondContact O-N 3.21Å; E501-K503 VanDerWaalsContact C-N 3.32Å; E501-K503 PolarHBondContact O-N 2.76Å; K503-S507 PolarHBondContact O-N 2.83Å; K503-S507 PolarHBondContact O-OG 2.93Å
504	K	75.1	Confident	59	Low	122 Å²	122	72.8 Å²	72.8	53%	0.53	39%	0.39	S	S	.	.	H	α-helix	trans	-67.7	-49	173.9	-65.6	173.7	-172.9	169.4	0	111.3	K500 E501 G506 S507	K500-K504 WeakPolarHBondContact O-CG 3.44Å; K500-K504 PolarHBondContact O-N 2.9Å; K500-K504 VanDerWaalsContact O-N 3.14Å; E501-K504 PolarHBondContact O-N 3.4Å; E501-K504 IonicContact OE1-NZ 3.98Å; E501-K504 PolarHBondContact OE1-NZ 2.89Å; K504-G506 VanDerWaalsContact C-N 3.28Å; K504-G506 PolarHBondContact O-N 3.04Å; K504-S507 WeakPolarHBondContact O-CB 3.46Å; K504-S507 PolarHBondContact O-N 2.75Å
505	A	68.8	Low	56.5	Low	27 Å²	27	73.6 Å²	73.6	22%	0.223	40%	0.4	C	S	.	.	H	α-helix	trans	-61.6	-35.2	180	0	0	0	0	0	112.6	Y421 E501 L502 S507	Y421-A505 HydrophobicContact CE1-CB 4.2Å; E501-A505 WeakPolarHBondContact O-CB 3.49Å; E501-A505 PolarHBondContact O-N 3.43Å; L502-A505 PolarHBondContact O-N 2.79Å; A505-S507 VanDerWaalsContact C-N 3.32Å
506	G	58.7	Low	54.4	Low	17 Å²	17	80 Å²	80	18%	0.175	43%	0.425	C	S	.	.	H	α-helix	trans	-74.7	-16.2	175.1	0	0	0	0	0	114.7	L502 K504 Q509	L502-G506 PolarHBondContact O-N 3.18Å; K504-G506 VanDerWaalsContact C-N 3.28Å; K504-G506 PolarHBondContact O-N 3.04Å; G506-Q509 WeakPolarHBondContact O-CG 3.38Å
507	S	48.7	Very low	52.3	Low	94 Å²	94	86.1 Å²	86.1	66%	0.657	46%	0.456	S	S	*	.	H	α-helix	trans	-82.9	-11.7	178	-59.5	0	0	0	0	113.2	K503 K504 A505 Q509	K503-S507 PolarHBondContact O-N 2.83Å; K503-S507 PolarHBondContact O-OG 2.93Å; K504-S507 WeakPolarHBondContact O-CB 3.46Å; K504-S507 PolarHBondContact O-N 2.75Å; A505-S507 VanDerWaalsContact C-N 3.32Å; S507-Q509 PolarHBondContact O-N 3.04Å
508	F	41.2	Very low	50	Low	178 Å²	178	92.6 Å²	92.6	78%	0.781	48%	0.48	S	S	*	.			trans	-74.3	58.6	164.4	-74.8	-87.4	0	0	0	110.1
509	Q	35	Very low	47.5	Very low	115 Å²	115	100.3 Å²	100.3	54%	0.537	52%	0.52	S	S	.	.			trans	-91.8	117	165.4	-74.2	-175.8	16.5	0	0	107.9	G506 S507 S511	G506-Q509 WeakPolarHBondContact O-CG 3.38Å; S507-Q509 PolarHBondContact O-N 3.04Å; Q509-S511 PolarHBondContact O-N 2.86Å
510	T	29.3	Very low	44.9	Very low	93 Å²	93	106.6 Å²	106.6	57%	0.571	55%	0.552	S	S	*	*			trans	-29.2	102.6	167.6	53.5	0	0	0	0	113.6	N512	T510-N512 WeakPolarHBondContact CB-OD1 3.45Å; T510-N512 PolarHBondContact O-N 2.98Å; T510-N512 PolarHBondContact OG1-ND2 3.47Å
511	S	24.4	Very low	42.4	Very low	93 Å²	93	110.2 Å²	110.2	65%	0.65	58%	0.575	S	S	*	*			trans	-67.1	83.6	145	50.7	0	0	0	0	107	Q509 N513	Q509-S511 PolarHBondContact O-N 2.86Å; S511-N513 PolarHBondContact O-N 3.03Å
512	N	27.9	Very low	40	Very low	113 Å²	113	117.5 Å²	117.5	60%	0.604	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	50.1	172.4	-78.9	-30.9	0	0	0	111.5	T510	T510-N512 WeakPolarHBondContact CB-OD1 3.45Å; T510-N512 PolarHBondContact O-N 2.98Å; T510-N512 PolarHBondContact OG1-ND2 3.47Å
513	N	26.6	Very low	37.3	Very low	159 Å²	159	124.4 Å²	124.4	85%	0.85	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.1	2.6	169.5	-80.3	-32.3	0	0	0	113.2	S511	S511-N513 PolarHBondContact O-N 3.03Å
514	D	27	Very low	34.9	Very low	114 Å²	114	127.9 Å²	127.9	61%	0.61	66%	0.664	S	S	*	*	S	Bend	trans	-96.5	125.7	164.4	-95.8	-47	0	0	0	110.5	Q516	D514-Q516 PolarHBondContact O-N 3.21Å
515	P	24.3	Very low	32.6	Very low	93 Å²	93	129.1 Å²	129.1	60%	0.604	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	15.1	-174.5	28	-33	0	0	0	114.9
516	Q	30.5	Very low	30.6	Very low	181 Å²	181	133.2 Å²	133.2	85%	0.846	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	1.5	179	-70.5	-176.1	-17.8	0	0	114.6	D514	D514-Q516 PolarHBondContact O-N 3.21Å
517	N	27.8	Very low	28.9	Very low	135 Å²	135	139.4 Å²	139.4	72%	0.722	73%	0.73	S	S	*	*			trans	-115	33.9	173.6	-104.2	-25.1	0	0	0	112.9
518	R	25.7	Very low	28.1	Very low	184 Å²	184	139.5 Å²	139.5	69%	0.694	73%	0.731	S	S	*	*			trans	-76.8	121.7	165.7	-73.9	-172.6	-159.5	-146	2.4	109.1	L520	R518-L520 HydrophobicContact CB-CD1 4.43Å; R518-L520 HydrophobicContact CB-CG 4.13Å; R518-L520 PolarHBondContact O-N 3.34Å; R518-L520 VanDerWaalsContact O-N 3.1Å
519	L	25.2	Very low	27.6	Very low	163 Å²	163	138.7 Å²	138.7	85%	0.853	74%	0.735	S	S	*	*			trans	-35.5	114.3	145.4	-78.2	130.3	0	0	0	109.6
520	L	27.2	Very low	27.2	Very low	140 Å²	140	140.8 Å²	140.8	73%	0.733	75%	0.749	S	S	*	*			trans	-134	89.4	168.3	-69	168.3	0	0	0	104.2	R518	R518-L520 HydrophobicContact CB-CD1 4.43Å; R518-L520 HydrophobicContact CB-CG 4.13Å; R518-L520 PolarHBondContact O-N 3.34Å; R518-L520 VanDerWaalsContact O-N 3.1Å
521	N	25.7	Very low	27	Very low	146 Å²	146	143.9 Å²	143.9	78%	0.781	76%	0.762	S	S	*	*				33.3	105.2	89.6	-76.7	-8.7	0	0	0	110.7	D523	N521-D523 PolarHBondContact O-N 3.44Å
522	H	26.6	Very low	27.3	Very low	176 Å²	176	145.1 Å²	145.1	82%	0.815	77%	0.771	S	S	*	*	S	Bend	trans	-32.8	121.1	158.9	-68.9	-78.3	0	0	0	111.2
523	D	27	Very low	27.1	Very low	146 Å²	146	147.2 Å²	147.2	78%	0.781	78%	0.782	S	S	*	*				163	143.5	115.4	-77.2	-32.1	0	0	0	109.3	N521	N521-D523 PolarHBondContact O-N 3.44Å
524	E	31	Very low	27.2	Very low	197 Å²	197	145.8 Å²	145.8	92%	0.921	77%	0.77	S	S	*	*			trans	92.3	91.1	174.9	-54.9	-168.9	164.6	0	0	117.9
525	I	25.4	Very low	27	Very low	148 Å²	148	146.4 Å²	146.4	76%	0.759	78%	0.781	S	S	*	*			trans	-64.7	139.7	156.6	-66.7	160.5	0	0	0	109.9
526	S	26.4	Very low	27.1	Very low	112 Å²	112	152.3 Å²	152.3	78%	0.783	79%	0.792	S	S	*	*			trans	-144.4	125.2	140	66.6	0	0	0	0	110.8	S528	S526-S528 PolarHBondContact O-N 3.12Å
527	D	24.9	Very low	26.9	Very low	147 Å²	147	148.8 Å²	148.8	79%	0.786	79%	0.788	S	S	*	*			trans	-68.6	108.3	-174	-62.1	-60.5	0	0	0	113.7
528	S	30.4	Very low	26.9	Very low	96 Å²	96	146.7 Å²	146.7	67%	0.671	78%	0.78	S	S	*	*			trans	-173.6	133.5	151.2	49.3	0	0	0	0	109.4	S526	S526-S528 PolarHBondContact O-N 3.12Å
529	D	31	Very low	27.7	Very low	161 Å²	161	144.3 Å²	144.3	86%	0.861	78%	0.781	S	S	*	*			trans	102.1	26.6	170	-48.9	-21.4	0	0	0	117.6	N531	D529-N531 PolarHBondContact O-N 3.14Å
530	L	26.9	Very low	28.9	Very low	159 Å²	159	142 Å²	142	83%	0.832	77%	0.769	S	S	*	*			trans	-66.1	99.1	148.2	-71.8	166.4	0	0	0	109.3
531	N	26.1	Very low	30.6	Very low	158 Å²	158	136.8 Å²	136.8	85%	0.845	75%	0.745	S	S	*	*			trans	178.9	90	151.6	-87.3	-33.5	0	0	0	112.3	D529	D529-N531 PolarHBondContact O-N 3.14Å
532	S	28.7	Very low	32.3	Very low	119 Å²	119	130.4 Å²	130.4	83%	0.832	71%	0.711	S	S	*	*			trans	-153.6	100.3	146.2	83.7	0	0	0	0	110.9	Q534	S532-Q534 PolarHBondContact O-N 2.7Å
533	D	25.6	Very low	34	Very low	157 Å²	157	123.4 Å²	123.4	84%	0.84	68%	0.679	S	S	*	*			trans	-77.6	101.7	170.6	-74.2	-42.3	0	0	0	110.2
534	Q	26.9	Very low	36	Very low	129 Å²	129	121.3 Å²	121.3	60%	0.603	66%	0.663	S	S	*	*			trans	-146.3	126	153.6	-79.1	-147	-35	0	0	111.3	T128 S532 Y536	T128-Q534 PolarHBondContact OG1-NE2 2.94Å; S532-Q534 PolarHBondContact O-N 2.7Å; Q534-Y536 PolarHBondContact O-N 3.41Å
535	P	23.8	Very low	37.2	Very low	128 Å²	128	113 Å²	113	83%	0.831	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-76.3	122	176.6	29.9	-29.7	0	0	0	110.3
536	Y	26	Very low	38	Very low	216 Å²	216	111.4 Å²	111.4	85%	0.847	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-65.1	131.5	167.1	-75.8	-95.4	0	0	0	110.1	Q534 V538	Q534-Y536 PolarHBondContact O-N 3.41Å; Y536-V538 PolarHBondContact O-N 3.14Å
537	S	26.3	Very low	38.3	Very low	107 Å²	107	109.8 Å²	109.8	75%	0.748	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-52.4	131.4	171.3	-177	0	0	0	0	111.3	D539	S537-D539 PolarHBondContact O-N 3.19Å
538	V	28.2	Very low	38.4	Very low	92 Å²	92	108.8 Å²	108.8	56%	0.558	60%	0.595	S	S	*	*			trans	-97.3	75.9	-172.3	-173.9	0	0	0	0	109.3	Y536	Y536-V538 PolarHBondContact O-N 3.14Å
539	D	41.9	Very low	38.2	Very low	133 Å²	133	110.7 Å²	110.7	71%	0.711	60%	0.598	S	S	*	*			trans	-116.7	60.4	172.7	-79.6	-29.6	0	0	0	111	S537	S537-D539 PolarHBondContact O-N 3.19Å
540	N	50.9	Low	37.9	Very low	115 Å²	115	106.9 Å²	106.9	62%	0.615	58%	0.583	S	S	*	*			trans	-103.4	81.5	165.2	-76.6	-16.7	0	0	0	109.4	V542 L543	N540-V542 PolarHBondContact O-N 3.28Å; N540-V542 VanDerWaalsContact O-N 3.09Å; N540-L543 HydrophobicContact CB-CD2 3.49Å; N540-L543 VanDerWaalsContact CB-CD2 3.49Å; N540-L543 HydrophobicContact CB-CG 4.45Å
541	S	62.5	Low	37.9	Very low	31 Å²	31	108.7 Å²	108.7	22%	0.217	59%	0.588	C	S	.	*	S	Bend	trans	-60.5	-12.8	173.7	19	0	0	0	0	115.2	Y423 K424 F497 E501	Y423-S541 WeakPolarHBondContact CA-O 3.39Å; K424-S541 PolarHBondContact N-O 3.46Å; F497-S541 WeakPolarHBondContact CZ-OG 3.31Å; E501-S541 PolarHBondContact OE2-OG 3.47Å
542	V	61.1	Low	37.9	Very low	12 Å²	12	104.3 Å²	104.3	7%	0.073	57%	0.573	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.9	114.1	173.7	179	0	0	0	0	108	Y421 I422 L498 E501 L502 N540	Y421-V542 HydrophobicContact CD1-CG1 3.37Å; Y421-V542 HydrophobicContact CD2-CG1 4.3Å; Y421-V542 HydrophobicContact CE1-CG1 3.94Å; Y421-V542 HydrophobicContact CG-CG1 3.59Å; I422-V542 WeakPolarHBondContact O-CA 3.41Å; L498-V542 HydrophobicContact CD1-CG2 3.76Å; E501-V542 HydrophobicContact CB-CB 4.44Å; E501-V542 HydrophobicContact CB-CG2 3.48Å; E501-V542 VanDerWaalsContact CB-CG2 3.48Å; E501-V542 HydrophobicContact CG-CG2 4.3Å; L502-V542 HydrophobicContact CD2-CG1 4.42Å; N540-V542 PolarHBondContact O-N 3.28Å; N540-V542 VanDerWaalsContact O-N 3.09Å
543	L	63.5	Low	38	Very low	29 Å²	29	104 Å²	104	15%	0.152	57%	0.571	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.9	126.7	174.9	-72.5	-168.2	0	0	0	111.6	Y421 I422 N540 Y545 L564	Y421-L543 WeakPolarHBondContact CA-O 3.44Å; I422-L543 PolarHBondContact N-O 3.24Å; I422-L543 PolarHBondContact O-N 2.78Å; N540-L543 HydrophobicContact CB-CD2 3.49Å; N540-L543 VanDerWaalsContact CB-CD2 3.49Å; N540-L543 HydrophobicContact CB-CG 4.45Å; L543-Y545 PolarHBondContact O-N 2.93Å; L543-L564 HydrophobicContact CD1-CD1 3.17Å; L543-L564 HydrophobicContact CD1-CG 4.28Å; L543-L564 HydrophobicContact CG-CD1 3.91Å
544	K	68.2	Low	38.3	Very low	101 Å²	101	101.5 Å²	101.5	44%	0.439	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.8	121.9	167.6	-179.2	164.2	-178	168.2	0	108.7	V419 Y421 Q439	V419-K544 HydrophobicContact CG2-CB 4.43Å; V419-K544 HydrophobicContact CG2-CD 3.61Å; V419-K544 VanDerWaalsContact CG2-CE 3.44Å; V419-K544 HydrophobicContact CG2-CG 3.52Å; Y421-K544 HydrophobicContact CD1-CB 4.21Å; Y421-K544 HydrophobicContact CE1-CB 3.91Å; Q439-K544 VanDerWaalsContact NE2-NZ 3.19Å
545	Y	56.7	Low	38.6	Very low	24 Å²	24	99.9 Å²	99.9	9%	0.094	56%	0.561	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.6	115.9	170.7	65.6	-76.3	0	0	0	109.2	G420 Y421 I422 N472 L543 V547	G420-Y545 WeakPolarHBondContact O-CD1 3.47Å; G420-Y545 PolarHBondContact O-N 3.41Å; Y421-Y545 WeakPolarHBondContact O-CE1 3.21Å; I422-Y545 HydrophobicContact CB-CD1 4.44Å; I422-Y545 HydrophobicContact CD1-CD1 4.09Å; I422-Y545 HydrophobicContact CD1-CG 4.25Å; I422-Y545 HydrophobicContact CG1-CD1 3.53Å; I422-Y545 HydrophobicContact CG1-CE1 3.72Å; I422-Y545 HydrophobicContact CG1-CG 4.17Å; N472-Y545 HydrophobicContact CB-CE2 4.11Å; N472-Y545 WeakPolarHBondContact ND2-CD2 3.4Å; N472-Y545 WeakPolarHBondContact ND2-CE2 3.25Å; N472-Y545 PolarHBondContact ND2-O 3.17Å; N472-Y545 WeakPolarHBondContact OD1-CE2 3.34Å; N472-Y545 PolarHBondContact OD1-OH 2.73Å; L543-Y545 PolarHBondContact O-N 2.93Å; Y545-V547 HydrophobicContact CD2-CG2 3.97Å
546	N	41.5	Very low	39.2	Very low	114 Å²	114	97.2 Å²	97.2	61%	0.61	55%	0.545	S	S	*	.			trans	-104.1	83.7	162	-84.2	-2.9	0	0	0	106.2	I548	N546-I548 PolarHBondContact O-N 3.26Å
547	V	33.6	Very low	39.6	Very low	78 Å²	78	92.1 Å²	92.1	47%	0.473	53%	0.532	S	S	.	.			trans	-76.6	83.5	174.8	-179	0	0	0	0	107.8	Y545	Y545-V547 HydrophobicContact CD2-CG2 3.97Å
548	I	27.3	Very low	39.9	Very low	126 Å²	126	92.4 Å²	92.4	65%	0.646	52%	0.522	S	S	*	.			trans	-74.3	115	153.8	-60.1	173.6	0	0	0	104.9	N546 S550	N546-I548 PolarHBondContact O-N 3.26Å; I548-S550 PolarHBondContact O-N 2.81Å
549	N	24.8	Very low	40.2	Very low	136 Å²	136	89.7 Å²	89.7	73%	0.727	51%	0.507	S	S	*	.	S	Bend	trans	-66.3	86.2	161.2	-73.8	-19.2	0	0	0	108.1
550	S	26.2	Very low	39.9	Very low	80 Å²	80	84.7 Å²	84.7	56%	0.559	49%	0.485	S	S	*	.	S	Bend	trans	-165.3	109.2	152.7	66.9	0	0	0	0	107.3	I548 A552	I548-S550 PolarHBondContact O-N 2.81Å; S550-A552 VanDerWaalsContact C-N 3.32Å; S550-A552 PolarHBondContact O-N 3.35Å
551	E	26.3	Very low	39.1	Very low	197 Å²	197	82.2 Å²	82.2	92%	0.921	47%	0.473	S	S	*	.			trans	25.3	61.9	151.4	-62.5	173.5	171.6	0	0	115.7	S553	E551-S553 PolarHBondContact O-N 3.4Å
552	A	26.6	Very low	37.8	Very low	66 Å²	66	83.1 Å²	83.1	55%	0.545	48%	0.48	S	S	.	.			trans	-86.8	94.3	175.1	0	0	0	0	0	107.8	S550 D554 Q558	S550-A552 VanDerWaalsContact C-N 3.32Å; S550-A552 PolarHBondContact O-N 3.35Å; A552-D554 PolarHBondContact O-N 3Å; A552-Q558 PolarHBondContact O-NE2 3.05Å
553	S	29.2	Very low	36.6	Very low	112 Å²	112	88.9 Å²	88.9	78%	0.783	50%	0.5	S	S	*	.			trans	-64.2	16.8	177.8	42	0	0	0	0	115.3	E551	E551-S553 PolarHBondContact O-N 3.4Å
554	D	32.9	Very low	35.2	Very low	106 Å²	106	89.6 Å²	89.6	57%	0.567	50%	0.504	S	S	*	.			trans	-91.7	104.2	178	-88.3	-25.3	0	0	0	111.6	A552 S556 Q558	A552-D554 PolarHBondContact O-N 3Å; D554-S556 PolarHBondContact O-N 2.87Å; D554-Q558 PolarHBondContact O-N 3.41Å
555	S	33.9	Very low	33.6	Very low	95 Å²	95	91.7 Å²	91.7	66%	0.664	51%	0.51	S	S	*	.	H	α-helix	trans	-60.9	-22.5	-179.7	62.7	0	0	0	0	114	S559	S555-S559 WeakPolarHBondContact O-CB 3.36Å; S555-S559 PolarHBondContact O-N 3.43Å
556	S	35.9	Very low	32.5	Very low	71 Å²	71	97.4 Å²	97.4	50%	0.497	54%	0.538	S	S	.	.	H	α-helix	trans	-71.6	-44.7	-176.1	58.3	0	0	0	0	113.2	D554 S559 A560	D554-S556 PolarHBondContact O-N 2.87Å; S556-S559 WeakPolarHBondContact O-CB 3.35Å; S556-S559 PolarHBondContact O-N 3.32Å; S556-A560 PolarHBondContact O-N 2.9Å
557	N	34	Very low	32.1	Very low	109 Å²	109	99.6 Å²	99.6	58%	0.583	54%	0.544	S	S	*	.	H	α-helix	trans	-79.6	-33.9	178.3	-74.6	-37.6	0	0	0	112	S559 A560 V561	N557-S559 VanDerWaalsContact C-N 3.26Å; N557-S559 PolarHBondContact O-N 2.61Å; N557-A560 PolarHBondContact O-N 3.46Å; N557-V561 WeakPolarHBondContact O-CB 3.45Å; N557-V561 VanDerWaalsContact O-CG2 3.27Å; N557-V561 WeakPolarHBondContact O-CG2 3.36Å; N557-V561 PolarHBondContact O-N 3.03Å
558	Q	33	Very low	31.8	Very low	113 Å²	113	101.7 Å²	101.7	53%	0.528	55%	0.548	S	S	.	.	H	α-helix	trans	-62.4	-35.8	169.2	-75.3	-178.2	6.3	0	0	111.3	A552 D554 S562	A552-Q558 PolarHBondContact O-NE2 3.05Å; D554-Q558 PolarHBondContact O-N 3.41Å; Q558-S562 WeakPolarHBondContact O-CA 3.4Å; Q558-S562 WeakPolarHBondContact O-CB 3.44Å; Q558-S562 PolarHBondContact O-N 3.32Å; Q558-S562 PolarHBondContact O-OG 3.14Å
559	S	34.7	Very low	31.8	Very low	35 Å²	35	103.4 Å²	103.4	25%	0.245	56%	0.559	C	S	.	*	H	α-helix	trans	-62.7	-47	173.3	137.9	0	0	0	0	112.1	S555 S556 N557 R563	S555-S559 WeakPolarHBondContact O-CB 3.36Å; S555-S559 PolarHBondContact O-N 3.43Å; S556-S559 WeakPolarHBondContact O-CB 3.35Å; S556-S559 PolarHBondContact O-N 3.32Å; N557-S559 VanDerWaalsContact C-N 3.26Å; N557-S559 PolarHBondContact O-N 2.61Å; S559-R563 WeakPolarHBondContact O-CB 3.3Å; S559-R563 WeakPolarHBondContact O-CD 3.21Å; S559-R563 WeakPolarHBondContact O-CG 3.36Å; S559-R563 PolarHBondContact O-N 3.43Å; S559-R563 PolarHBondContact OG-NE 3.28Å; S559-R563 VanDerWaalsContact OG-NE 3.17Å; S559-R563 PolarHBondContact OG-NH2 3.43Å; S559-R563 VanDerWaalsContact OG-NH2 3.11Å
560	A	34.1	Very low	31.8	Very low	29 Å²	29	107.2 Å²	107.2	24%	0.24	57%	0.565	C	S	.	*	H	α-helix	trans	-68.6	-41.5	-179.5	0	0	0	0	0	112.4	S556 N557 L564	S556-A560 PolarHBondContact O-N 2.9Å; N557-A560 PolarHBondContact O-N 3.46Å; A560-L564 PolarHBondContact O-N 3.32Å
561	V	36.2	Very low	31.8	Very low	62 Å²	62	109 Å²	109	38%	0.376	57%	0.574	S	S	.	*	H	α-helix	trans	-68.5	-44.1	176.4	176.7	0	0	0	0	110.7	N557 R563 L564 Y565	N557-V561 WeakPolarHBondContact O-CB 3.45Å; N557-V561 VanDerWaalsContact O-CG2 3.27Å; N557-V561 WeakPolarHBondContact O-CG2 3.36Å; N557-V561 PolarHBondContact O-N 3.03Å; V561-R563 PolarHBondContact O-N 3.07Å; V561-L564 PolarHBondContact O-N 3.23Å; V561-Y565 HydrophobicContact CG1-CD2 3.81Å; V561-Y565 HydrophobicContact CG1-CE2 3.68Å; V561-Y565 WeakPolarHBondContact O-CD2 3.2Å; V561-Y565 PolarHBondContact O-N 3.03Å
562	S	33.6	Very low	31.8	Very low	51 Å²	51	107.4 Å²	107.4	36%	0.357	57%	0.571	S	S	.	*	H	α-helix	trans	-67.4	-34.1	177.4	-57.6	0	0	0	0	112.4	Q558 Y565 Q566	Q558-S562 WeakPolarHBondContact O-CA 3.4Å; Q558-S562 WeakPolarHBondContact O-CB 3.44Å; Q558-S562 PolarHBondContact O-N 3.32Å; Q558-S562 PolarHBondContact O-OG 3.14Å; S562-Y565 CarbonylContact O-C 3.54Å; S562-Y565 PolarHBondContact O-N 2.89Å; S562-Q566 VanDerWaalsContact O-CB 3.25Å; S562-Q566 WeakPolarHBondContact O-CB 3.02Å; S562-Q566 WeakPolarHBondContact O-CG 3.28Å; S562-Q566 PolarHBondContact O-N 3.06Å
563	R	36	Very low	31.7	Very low	133 Å²	133	111.5 Å²	111.5	50%	0.502	58%	0.584	S	S	.	*	H	α-helix	trans	-67.2	-34.7	175.7	-76.4	170.4	-162.4	-177.1	6.6	112.6	S559 V561 Y565 Q566	S559-R563 WeakPolarHBondContact O-CB 3.3Å; S559-R563 WeakPolarHBondContact O-CD 3.21Å; S559-R563 WeakPolarHBondContact O-CG 3.36Å; S559-R563 PolarHBondContact O-N 3.43Å; S559-R563 PolarHBondContact OG-NE 3.28Å; S559-R563 VanDerWaalsContact OG-NE 3.17Å; S559-R563 PolarHBondContact OG-NH2 3.43Å; S559-R563 VanDerWaalsContact OG-NH2 3.11Å; V561-R563 PolarHBondContact O-N 3.07Å; R563-Y565 VanDerWaalsContact C-N 3.31Å; R563-Q566 PolarHBondContact O-N 3.02Å
564	L	34.5	Very low	31.4	Very low	43 Å²	43	113.8 Å²	113.8	23%	0.225	59%	0.588	C	S	.	*	H	α-helix	trans	-70.2	-28.2	172.2	-73.9	176.8	0	0	0	113.1	Y432 L543 A560 V561	Y432-L564 HydrophobicContact CE1-CD2 3.74Å; Y432-L564 HydrophobicContact CE2-CD2 4.36Å; Y432-L564 VanDerWaalsContact OH-CD2 3.31Å; Y432-L564 WeakPolarHBondContact OH-CD2 3.34Å; L543-L564 HydrophobicContact CD1-CD1 3.17Å; L543-L564 HydrophobicContact CD1-CG 4.28Å; L543-L564 HydrophobicContact CG-CD1 3.91Å; A560-L564 PolarHBondContact O-N 3.32Å; V561-L564 PolarHBondContact O-N 3.23Å
565	Y	35.6	Very low	31.1	Very low	145 Å²	145	114.7 Å²	114.7	57%	0.569	60%	0.597	S	S	*	*	H	α-helix	trans	-88.7	-5.1	175.7	-73.8	-63.7	0	0	0	113.8	K434 V561 S562 R563	K434-Y565 PolarHBondContact NZ-OH 3.26Å; V561-Y565 HydrophobicContact CG1-CD2 3.81Å; V561-Y565 HydrophobicContact CG1-CE2 3.68Å; V561-Y565 WeakPolarHBondContact O-CD2 3.2Å; V561-Y565 PolarHBondContact O-N 3.03Å; S562-Y565 CarbonylContact O-C 3.54Å; S562-Y565 PolarHBondContact O-N 2.89Å; R563-Y565 VanDerWaalsContact C-N 3.31Å
566	Q	33.2	Very low	30.6	Very low	145 Å²	145	117 Å²	117	68%	0.678	60%	0.602	S	S	*	*	S	Bend	trans	-100.6	-7.7	-175.7	-83.9	172.3	2.2	0	0	114.8	S562 R563	S562-Q566 VanDerWaalsContact O-CB 3.25Å; S562-Q566 WeakPolarHBondContact O-CB 3.02Å; S562-Q566 WeakPolarHBondContact O-CG 3.28Å; S562-Q566 PolarHBondContact O-N 3.06Å; R563-Q566 PolarHBondContact O-N 3.02Å
567	H	32.2	Very low	30.1	Very low	159 Å²	159	123.8 Å²	123.8	74%	0.736	62%	0.623	S	S	*	*	S	Bend	trans	-102.2	105.7	171	-82.6	-91.8	0	0	0	109.6
568	E	27.3	Very low	29.7	Very low	122 Å²	122	125.8 Å²	125.8	57%	0.57	63%	0.633	S	S	*	*	S	Bend	trans	94.2	96.3	165.6	-52.6	-166.4	180	0	0	120.2	N430	N430-E568 WeakPolarHBondContact CB-OE2 3.49Å; N430-E568 PolarHBondContact ND2-OE2 3.31Å
569	N	27.2	Very low	29.3	Very low	163 Å²	163	128.8 Å²	128.8	87%	0.872	65%	0.647	S	S	*	*			trans	37.3	82.5	145.3	-63.8	-33.3	0	0	0	121.2
570	Y	25	Very low	28.9	Very low	216 Å²	216	132 Å²	132	85%	0.847	67%	0.67	S	S	*	*			trans	-130.5	129.4	145.7	-94.1	-88.6	0	0	0	109.6	L572	Y570-L572 PolarHBondContact O-N 3.1Å
571	P	25.5	Very low	28.4	Very low	117 Å²	117	137.2 Å²	137.2	76%	0.76	69%	0.694	S	S	*	*			trans	-76	95	173.5	31.1	-29.2	0	0	0	108.2	N573	P571-N573 VanDerWaalsContact C-N 3.27Å; P571-N573 PolarHBondContact O-N 3.46Å
572	L	26.2	Very low	27.9	Very low	164 Å²	164	140.5 Å²	140.5	86%	0.859	71%	0.708	S	S	*	*			trans	-69.1	97	155.8	-85.6	163.1	0	0	0	106.7	Y570 N574	Y570-L572 PolarHBondContact O-N 3.1Å; L572-N574 PolarHBondContact O-N 3.19Å
573	N	25.5	Very low	27.4	Very low	152 Å²	152	144.8 Å²	144.8	81%	0.813	73%	0.726	S	S	*	*			trans	-57	107.4	169.4	-114.7	-10.5	0	0	0	108.4	P571 T575	P571-N573 VanDerWaalsContact C-N 3.27Å; P571-N573 PolarHBondContact O-N 3.46Å; N573-T575 PolarHBondContact O-N 3.43Å; N573-T575 VanDerWaalsContact O-N 3.17Å
574	N	22.8	Very low	26.8	Very low	160 Å²	160	146.3 Å²	146.3	86%	0.856	74%	0.739	S	S	*	*			trans	-53.3	112	166.6	-86.3	-30.2	0	0	0	109.7	L572	L572-N574 PolarHBondContact O-N 3.19Å
575	T	25.9	Very low	26.3	Very low	125 Å²	125	151 Å²	151	77%	0.767	76%	0.761	S	S	*	*			trans	-120	99.9	151.4	45.5	0	0	0	0	108.5	N573	N573-T575 PolarHBondContact O-N 3.43Å; N573-T575 VanDerWaalsContact O-N 3.17Å
576	N	24.1	Very low	25.7	Very low	143 Å²	143	152 Å²	152	77%	0.765	77%	0.771	S	S	*	*			trans	38.7	109.3	150.1	-66.8	-23.2	0	0	0	117.1
577	F	25	Very low	25.2	Very low	214 Å²	214	151.8 Å²	151.8	94%	0.939	77%	0.774	S	S	*	*			trans	-150.8	91.3	133.1	-98.3	-72.1	0	0	0	110.2
578	N	25.7	Very low	24.8	Very low	150 Å²	150	149.5 Å²	149.5	80%	0.802	77%	0.771	S	S	*	*			trans	-71.5	127	155.4	-96.7	-21.9	0	0	0	108.3
579	Q	24.3	Very low	24.7	Very low	176 Å²	176	150.5 Å²	150.5	82%	0.822	78%	0.776	S	S	*	*			trans	18.8	114.7	145	-68.1	172	-23.1	0	0	116.2
580	S	26.3	Very low	24.5	Very low	104 Å²	104	150.2 Å²	150.2	73%	0.727	77%	0.767	S	S	*	*				172.1	124.3	113.8	39.5	0	0	0	0	111.5
581	N	25.2	Very low	24.6	Very low	137 Å²	137	146.8 Å²	146.8	73%	0.733	76%	0.763	S	S	*	*			trans	68.2	114.2	130.7	-67.9	-14.8	0	0	0	120.2
582	I	24.8	Very low	24.6	Very low	132 Å²	132	147.5 Å²	147.5	68%	0.677	76%	0.759	S	S	*	*				78.6	119.7	112.9	-67.5	171.2	0	0	0	116.4
583	L	23.4	Very low	24.6	Very low	141 Å²	141	146.8 Å²	146.8	74%	0.738	76%	0.756	S	S	*	*			trans	79.6	108.4	146.4	-70	168.4	0	0	0	119.7
584	H	22.9	Very low	24.6	Very low	164 Å²	164	145.2 Å²	145.2	76%	0.759	76%	0.756	S	S	*	*				77.6	140.3	115.6	-113.3	-90.5	0	0	0	121.1
585	M	23.8	Very low	24.8	Very low	143 Å²	143	142.9 Å²	142.9	70%	0.704	75%	0.75	S	S	*	*			trans	72.9	110.8	159.4	-62.5	-159.5	-41.3	0	0	117.4
586	E	22.8	Very low	24.8	Very low	165 Å²	165	143 Å²	143	77%	0.771	76%	0.755	S	S	*	*				74.8	134.3	69.7	-158.6	173.1	-151.2	0	0	112
587	L	24.3	Very low	24.8	Very low	140 Å²	140	142.8 Å²	142.8	73%	0.733	76%	0.759	S	S	*	*			trans	110.4	91	164.6	-57.9	170.9	0	0	0	118.6
588	T	22.7	Very low	24.7	Very low	111 Å²	111	138 Å²	138	68%	0.681	75%	0.751	S	S	*	*				53.5	125.9	116.4	42.9	0	0	0	0	122.7
589	E	25	Very low	24.7	Very low	143 Å²	143	138.7 Å²	138.7	67%	0.668	75%	0.753	S	S	*	*				77.5	131.1	125.7	-76.2	-162.9	153.6	0	0	122.6
590	K	23.9	Very low	24.7	Very low	158 Å²	158	141.6 Å²	141.6	69%	0.687	76%	0.758	S	S	*	*			trans	73.1	129	146	-65.1	162.3	178.1	153.8	0	114.4
591	L	25.7	Very low	24.8	Very low	144 Å²	144	140.5 Å²	140.5	75%	0.754	76%	0.764	S	S	*	*				-170.5	127.5	67.4	-74.6	156.8	0	0	0	107.5
592	I	26.8	Very low	24.8	Very low	132 Å²	132	141.3 Å²	141.3	68%	0.677	76%	0.762	S	S	*	*				95.7	117.8	102	-70.1	179.4	0	0	0	114.6
593	D	25.3	Very low	25.1	Very low	149 Å²	149	144 Å²	144	80%	0.797	77%	0.772	S	S	*	*			trans	40.1	124.9	142.5	-51.9	-24.2	0	0	0	119.9
594	S	25.8	Very low	25.5	Very low	118 Å²	118	143 Å²	143	83%	0.825	78%	0.777	S	S	*	*				171.6	158.7	75.2	-172.7	0	0	0	0	109
595	P	27.7	Very low	25.8	Very low	112 Å²	112	141 Å²	141	73%	0.727	77%	0.771	S	S	*	*			trans	-95.7	142.2	-154.5	36.3	-29.8	0	0	0	114.2
596	C	25.6	Very low	26.1	Very low	128 Å²	128	143 Å²	143	87%	0.865	78%	0.778	S	S	*	*			trans	-146	107.1	163.6	-94.4	0	0	0	0	110.5
597	T	23.9	Very low	26.4	Very low	138 Å²	138	141.7 Å²	141.7	85%	0.847	78%	0.777	S	S	*	*			trans	-52	126	154.4	33.7	0	0	0	0	110.2
598	C	23.6	Very low	26.5	Very low	114 Å²	114	143.1 Å²	143.1	77%	0.77	78%	0.783	S	S	*	*			trans	176.6	129.5	146.6	-94.1	0	0	0	0	112.5
599	L	25.5	Very low	26.6	Very low	163 Å²	163	141.9 Å²	141.9	85%	0.853	78%	0.784	S	S	*	*			trans	75.9	101.9	141.8	-75.5	145.1	0	0	0	120	G601	L599-G601 PolarHBondContact O-N 3.18Å
600	Y	24.4	Very low	26.7	Very low	238 Å²	238	142.6 Å²	142.6	93%	0.933	79%	0.792	S	S	*	*			trans	-43.9	119.9	152.1	-94.3	-101.2	0	0	0	111.2
601	G	27.2	Very low	26.7	Very low	81 Å²	81	143.3 Å²	143.3	84%	0.835	80%	0.8	S	S	*	*			trans	-87.2	134	174.1	0	0	0	0	0	111.8	L599	L599-G601 PolarHBondContact O-N 3.18Å
602	H	26	Very low	26.6	Very low	153 Å²	153	143.3 Å²	143.3	71%	0.708	80%	0.799	S	S	*	*			trans	-102.3	138.8	-172.7	-166.1	-89.4	0	0	0	109.3
603	E	31	Very low	26.8	Very low	188 Å²	188	147.6 Å²	147.6	88%	0.879	81%	0.813	S	S	*	*			trans	-179.8	126.5	153.7	-106	169.9	-173.8	0	0	106.7
604	S	32.7	Very low	26.9	Very low	120 Å²	120	144.7 Å²	144.7	84%	0.839	81%	0.805	S	S	*	*			cis	-151.8	147	36.7	1.2	0	0	0	0	112.3
605	I	27.4	Very low	26.9	Very low	124 Å²	124	147.7 Å²	147.7	64%	0.636	81%	0.805	S	S	*	*			trans	-93.9	139.2	-171.8	-72.1	164	0	0	0	110.6
606	Q	30.9	Very low	26.8	Very low	183 Å²	183	150.6 Å²	150.6	86%	0.855	81%	0.809	S	S	*	*			trans	-152.6	97.7	137.2	-110.6	165.7	14.6	0	0	112.5
607	N	29.8	Very low	27	Very low	139 Å²	139	153.1 Å²	153.1	74%	0.743	81%	0.806	S	S	*	*			trans	81	89.7	137	-60.4	-14.7	0	0	0	121.7
608	I	25.5	Very low	27.1	Very low	170 Å²	170	155 Å²	155	87%	0.872	81%	0.805	S	S	*	*			trans	-81.6	135.3	142.3	-67.2	170.2	0	0	0	109.1
609	A	25	Very low	27.2	Very low	84 Å²	84	155 Å²	155	69%	0.694	80%	0.801	S	S	*	*			trans	-162.4	135.1	148.8	0	0	0	0	0	107.5
610	L	26.9	Very low	27.3	Very low	159 Å²	159	155.3 Å²	155.3	83%	0.832	80%	0.796	S	S	*	*			cis	-163.8	128.1	2.1	-104.1	155.9	0	0	0	106.2
611	M	23.3	Very low	27.4	Very low	173 Å²	173	150.7 Å²	150.7	85%	0.852	78%	0.782	S	S	*	*			trans	-77.8	152.8	150.7	-89.3	-171	-95.5	0	0	108.1
612	I	24.8	Very low	27.4	Very low	143 Å²	143	153.8 Å²	153.8	73%	0.733	78%	0.777	S	S	*	*			trans	108.3	97.8	170.3	-53.8	160.2	0	0	0	114
613	F	29.9	Very low	27.6	Very low	222 Å²	222	151.7 Å²	151.7	97%	0.974	78%	0.779	S	S	*	*			trans	-126.3	122.8	136.8	-101.1	-80	0	0	0	108.6
614	S	27.3	Very low	27.7	Very low	89 Å²	89	147.6 Å²	147.6	62%	0.622	77%	0.769	S	S	*	*			trans	-76.3	156.4	-177.8	-59.2	0	0	0	0	113.7
615	E	26.9	Very low	27.4	Very low	180 Å²	180	148.5 Å²	148.5	84%	0.841	76%	0.764	S	S	*	*			trans	27.9	122.1	137.9	-62.4	176.7	156.6	0	0	119.2
616	E	26	Very low	27.3	Very low	173 Å²	173	149.3 Å²	149.3	81%	0.808	77%	0.769	S	S	*	*				179.9	146.3	110.2	-103.3	-173.7	-174.2	0	0	113.7
617	K	29.4	Very low	27.1	Very low	181 Å²	181	145.4 Å²	145.4	79%	0.787	76%	0.762	S	S	*	*			trans	96.6	93.1	156.8	-75.4	171	-178.2	169.9	0	120.4
618	E	25.6	Very low	27.1	Very low	179 Å²	179	146.7 Å²	146.7	84%	0.836	77%	0.768	S	S	*	*				-10.1	148.7	124.2	-52	179.5	141	0	0	114.6
619	V	25.7	Very low	27.2	Very low	113 Å²	113	147.1 Å²	147.1	69%	0.685	76%	0.764	S	S	*	*				-170.2	154.3	58.8	-170.8	0	0	0	0	108.1
620	K	27.9	Very low	27.6	Very low	170 Å²	170	149.9 Å²	149.9	74%	0.739	77%	0.767	S	S	*	*			trans	99.7	130	153.4	-59.3	-171.8	179.5	-179.9	0	116.7
621	E	26.3	Very low	27.8	Very low	140 Å²	140	148.8 Å²	148.8	65%	0.654	76%	0.762	S	S	*	*			cis	-175.4	145.3	-8.9	-119.7	165.9	172.1	0	0	105.9
622	M	27.9	Very low	28	Very low	146 Å²	146	147.7 Å²	147.7	72%	0.719	76%	0.755	S	S	*	*			trans	66.8	89.8	149.9	-68.5	-176.8	-91.9	0	0	120.8
623	S	28.5	Very low	28.4	Very low	109 Å²	109	148.1 Å²	148.1	76%	0.762	76%	0.758	S	S	*	*				40.6	167.6	100.3	-37.2	0	0	0	0	120.6
624	P	34.2	Very low	28.3	Very low	103 Å²	103	144.4 Å²	144.4	67%	0.669	74%	0.744	S	S	*	*			cis	-144.7	-171.7	-37.1	28.5	-3.6	0	0	0	114
625	L	26.7	Very low	28.4	Very low	138 Å²	138	147.4 Å²	147.4	72%	0.723	75%	0.752	S	S	*	*			trans	106.2	109.1	140.7	-56.8	178	0	0	0	121.2
626	L	25.8	Very low	28.4	Very low	142 Å²	142	145.5 Å²	145.5	74%	0.743	75%	0.748	S	S	*	*				82.3	116.7	117.6	-75.9	161.6	0	0	0	120.2
627	S	24.7	Very low	28.6	Very low	101 Å²	101	142.4 Å²	142.4	71%	0.706	74%	0.743	S	S	*	*				95.7	108.3	126.1	74.1	0	0	0	0	117.5
628	N	31.1	Very low	28.5	Very low	165 Å²	165	139.9 Å²	139.9	88%	0.882	74%	0.742	S	S	*	*				-147.3	114.7	116.8	-128.8	-17.2	0	0	0	110.7
629	K	26.7	Very low	28.6	Very low	180 Å²	180	134.4 Å²	134.4	78%	0.783	73%	0.728	S	S	*	*			trans	-80.3	144.5	168.7	-76.9	177.3	173	177.2	0	108.3
630	N	33.9	Very low	28.6	Very low	142 Å²	142	138.5 Å²	138.5	76%	0.759	74%	0.737	S	S	*	*			trans	166.1	138.5	145.5	-80.2	-22.3	0	0	0	106
631	N	31.6	Very low	28.6	Very low	135 Å²	135	135 Å²	135	72%	0.722	73%	0.734	S	S	*	*			cis	-174.2	125.5	-21.9	-111.6	-14.8	0	0	0	103.5
632	H	27.8	Very low	28.6	Very low	151 Å²	151	135.6 Å²	135.6	70%	0.699	74%	0.742	S	S	*	*			trans	2.6	131.1	153.9	-73.1	-79.5	0	0	0	120.8
633	D	32.3	Very low	28.6	Very low	151 Å²	151	139.4 Å²	139.4	81%	0.807	75%	0.748	S	S	*	*				-168.9	101	115.4	-85.3	-25.2	0	0	0	108.6
634	Q	27.7	Very low	28.5	Very low	144 Å²	144	140.1 Å²	140.1	67%	0.673	74%	0.743	S	S	*	*				75	103.2	82.3	-83.2	-160.1	45	0	0	116.1
635	L	28.9	Very low	28.1	Very low	152 Å²	152	141.6 Å²	141.6	80%	0.796	74%	0.744	S	S	*	*				148.3	96.2	111.9	-84.6	145.3	0	0	0	115.1
636	N	27.1	Very low	28	Very low	141 Å²	141	140.4 Å²	140.4	75%	0.754	74%	0.742	S	S	*	*				27.7	159.5	126.1	-104.3	-1.5	0	0	0	122.2
637	P	30.7	Very low	28.1	Very low	107 Å²	107	140.4 Å²	140.4	70%	0.695	74%	0.743	S	S	*	*			cis	-150.6	154.5	34.6	35	-10.2	0	0	0	120.8
638	V	26.9	Very low	28.2	Very low	128 Å²	128	144.1 Å²	144.1	78%	0.776	75%	0.747	S	S	*	*				75.2	145.4	124.1	172.2	0	0	0	0	121.6
639	A	27.6	Very low	28.2	Very low	65 Å²	65	144.5 Å²	144.5	54%	0.537	75%	0.749	S	S	.	*			cis	174.3	166.7	-24.4	0	0	0	0	0	111.3
640	F	25.9	Very low	28.2	Very low	198 Å²	198	141.2 Å²	141.2	87%	0.868	75%	0.747	S	S	*	*			trans	70.9	139.4	152	-74.7	-81.4	0	0	0	120.4
641	S	27.4	Very low	27.9	Very low	98 Å²	98	143.6 Å²	143.6	69%	0.685	75%	0.751	S	S	*	*			cis	173.7	161.7	-12.1	44	0	0	0	0	112.7
642	D	27.4	Very low	27.6	Very low	152 Å²	152	143.8 Å²	143.8	81%	0.813	75%	0.751	S	S	*	*			trans	-49.9	169.9	172.1	-65.3	-51	0	0	0	120.1
643	R	28.2	Very low	27.5	Very low	226 Å²	226	143.8 Å²	143.8	85%	0.853	76%	0.755	S	S	*	*				157.6	149.1	127.7	-84	-178	162.1	-166.1	-0.4	110.8
644	L	25.6	Very low	27.3	Very low	124 Å²	124	143.4 Å²	143.4	65%	0.649	75%	0.753	S	S	*	*			cis	-178.7	157.1	-1.5	-98.7	163.1	0	0	0	109.5
645	L	25.8	Very low	27.6	Very low	133 Å²	133	141.9 Å²	141.9	70%	0.696	76%	0.756	S	S	*	*			trans	69.2	118.2	143.4	-93.2	83.5	0	0	0	121.4
646	T	25.5	Very low	27.5	Very low	113 Å²	113	143.2 Å²	143.2	69%	0.693	76%	0.758	S	S	*	*				99.9	124.3	58.6	52.9	0	0	0	0	114.7
647	N	28	Very low	27.5	Very low	143 Å²	143	143.5 Å²	143.5	77%	0.765	76%	0.76	S	S	*	*				155.9	109.3	124.6	-106.6	-29.5	0	0	0	109.7
648	K	26.7	Very low	27.4	Very low	179 Å²	179	144 Å²	144	78%	0.778	76%	0.761	S	S	*	*				53.5	110.4	83.8	-70.4	-172	176.7	-179.2	0	115
649	N	30.2	Very low	27.5	Very low	173 Å²	173	143.6 Å²	143.6	93%	0.925	75%	0.754	S	S	*	*				-161.1	131.1	128.3	-93.4	-31.4	0	0	0	111.9
650	C	26.2	Very low	27.5	Very low	110 Å²	110	148 Å²	148	74%	0.743	76%	0.761	S	S	*	*			trans	-94.5	-179.5	-164.6	-59.2	0	0	0	0	114.6
651	K	28.6	Very low	27.6	Very low	192 Å²	192	143.7 Å²	143.7	84%	0.835	75%	0.751	S	S	*	*			trans	104.7	140.7	145.3	-67.1	-171.8	171.6	175.7	0	115.7
652	L	25.7	Very low	27.9	Very low	140 Å²	140	144.9 Å²	144.9	73%	0.733	75%	0.75	S	S	*	*			cis	174.1	165.5	-17.3	-126.2	168	0	0	0	104.8
653	L	26	Very low	28	Very low	150 Å²	150	144.1 Å²	144.1	79%	0.785	75%	0.746	S	S	*	*			trans	86.3	132	165	-56.3	145.5	0	0	0	115.8
654	N	26.7	Very low	27.9	Very low	144 Å²	144	140.3 Å²	140.3	77%	0.77	74%	0.741	S	S	*	*			cis	-167.3	144.1	4.9	-145.6	18.4	0	0	0	108.2
655	P	34.6	Very low	28	Very low	111 Å²	111	143.3 Å²	143.3	72%	0.721	75%	0.752	S	S	*	*			trans	-106.3	150	169.4	36.8	-26.5	0	0	0	112.1
656	E	27.5	Very low	28.1	Very low	181 Å²	181	141.9 Å²	141.9	85%	0.846	75%	0.752	S	S	*	*			trans	168.3	115	149	-99.6	174.7	-165.8	0	0	108.9
657	N	27	Very low	28.1	Very low	147 Å²	147	147 Å²	147	79%	0.786	76%	0.76	S	S	*	*				172.1	116.6	121.7	-90.9	-27	0	0	0	113.7
658	V	28.3	Very low	27.9	Very low	118 Å²	118	149.3 Å²	149.3	72%	0.715	76%	0.764	S	S	*	*				88.9	85.9	130	-175.5	0	0	0	0	118.6
659	N	28.5	Very low	27.9	Very low	118 Å²	118	149.4 Å²	149.4	63%	0.631	77%	0.767	S	S	*	*				87.2	132.9	99.8	-104.2	-21.2	0	0	0	125.6
660	F	27.7	Very low	27.7	Very low	159 Å²	159	149.1 Å²	149.1	70%	0.697	76%	0.76	S	S	*	*			trans	82.7	98.9	138.1	-75.2	-49.1	0	0	0	119.3
661	T	27.7	Very low	27.7	Very low	106 Å²	106	151 Å²	151	65%	0.65	76%	0.761	S	S	*	*				84.5	136.3	87.7	45.1	0	0	0	0	113
662	D	33.1	Very low	27.4	Very low	123 Å²	123	145.2 Å²	145.2	66%	0.658	75%	0.745	S	S	*	*			cis	-160.5	146.9	45.7	-95.6	-44.7	0	0	0	114.7
663	N	31.6	Very low	27.5	Very low	136 Å²	136	145.3 Å²	145.3	73%	0.727	75%	0.751	S	S	*	*			trans	61.3	110.4	143.5	-57.9	-27.8	0	0	0	121.2
664	I	26.1	Very low	27.4	Very low	146 Å²	146	143 Å²	143	75%	0.749	74%	0.743	S	S	*	*			cis	67.6	99.5	43.8	-56	-176.6	0	0	0	114.8
665	E	26.1	Very low	27.2	Very low	188 Å²	188	143.5 Å²	143.5	88%	0.879	74%	0.743	S	S	*	*				57.2	111.4	125.3	-143.9	167.3	-144.1	0	0	119.3
666	S	27.4	Very low	26.6	Very low	102 Å²	102	146.3 Å²	146.3	71%	0.713	75%	0.748	S	S	*	*			trans	-161.9	110	164.7	-163.5	0	0	0	0	112.3
667	Y	27	Very low	26.5	Very low	220 Å²	220	141.7 Å²	141.7	86%	0.863	74%	0.741	S	S	*	*			trans	86	110.3	148.7	-77.7	-109.8	0	0	0	122.1
668	K	24.3	Very low	26.4	Very low	192 Å²	192	141.1 Å²	141.1	84%	0.835	74%	0.743	S	S	*	*			trans	-46.7	147.9	145.4	-77.8	174.9	169.1	177.7	0	112.1
669	Q	24.8	Very low	26.3	Very low	181 Å²	181	140.8 Å²	140.8	85%	0.846	74%	0.742	S	S	*	*			trans	116.4	121.8	156.2	-67.7	-179.7	-7.9	0	0	114.7
670	Q	26.7	Very low	26.2	Very low	168 Å²	168	142.7 Å²	142.7	79%	0.785	75%	0.75	S	S	*	*			trans	124.2	101.9	148.7	-71.1	-179.4	-26.6	0	0	116.9
671	I	25.8	Very low	26.3	Very low	148 Å²	148	141.5 Å²	141.5	76%	0.759	75%	0.75	S	S	*	*				70.8	121.9	120.4	-60.9	163.2	0	0	0	118.4
672	S	23.8	Very low	26.3	Very low	72 Å²	72	142.2 Å²	142.2	50%	0.503	75%	0.75	S	S	.	*			trans	-42.8	128.7	169.1	-172.4	0	0	0	0	115.6
673	V	27.2	Very low	26.1	Very low	141 Å²	141	146.2 Å²	146.2	86%	0.855	76%	0.761	S	S	*	*			trans	-142.8	125.3	153	-178.6	0	0	0	0	110.6
674	T	24.1	Very low	25.9	Very low	102 Å²	102	147.4 Å²	147.4	63%	0.626	76%	0.762	S	S	*	*			trans	-71.4	155.2	179.9	-30.9	0	0	0	0	114.3
675	M	22.9	Very low	26.2	Very low	155 Å²	155	149 Å²	149	76%	0.764	77%	0.767	S	S	*	*			trans	82.1	131.9	147.4	-78.4	-109.7	-90.9	0	0	122.5
676	M	21.9	Very low	26.4	Very low	169 Å²	169	150.3 Å²	150.3	83%	0.833	77%	0.765	S	S	*	*			trans	82.7	133.1	146.4	-85	-179.4	179.6	0	0	121.2
677	A	23.7	Very low	26.5	Very low	84 Å²	84	154.1 Å²	154.1	69%	0.694	77%	0.772	S	S	*	*			trans	87.7	110.7	156.6	0	0	0	0	0	117.9
678	T	26.6	Very low	26.7	Very low	135 Å²	135	151.1 Å²	151.1	83%	0.828	77%	0.77	S	S	*	*			trans	-137.9	80.2	135.9	-32	0	0	0	0	109	I680	T678-I680 PolarHBondContact O-N 3.05Å
679	T	25.7	Very low	27.1	Very low	112 Å²	112	145.7 Å²	145.7	69%	0.687	75%	0.753	S	S	*	*			trans	-60.9	111.6	152.2	-43.4	0	0	0	0	106.7	I681	T679-I681 VanDerWaalsContact C-N 3.34Å; T679-I681 HydrophobicContact CG2-CD1 4.16Å; T679-I681 HydrophobicContact CG2-CG1 3.84Å; T679-I681 PolarHBondContact O-N 2.86Å; T679-I681 VanDerWaalsContact O-N 3.1Å
680	I	26.1	Very low	27.6	Very low	157 Å²	157	141.9 Å²	141.9	81%	0.805	74%	0.743	S	S	*	*			trans	-78.9	91.3	170	-62.6	174.8	0	0	0	106.3	T678	T678-I680 PolarHBondContact O-N 3.05Å
681	I	29.2	Very low	28	Very low	135 Å²	135	139.5 Å²	139.5	69%	0.692	74%	0.74	S	S	*	*			trans	-90.8	125.3	162.4	-67.8	175.1	0	0	0	106.8	T679 K683	T679-I681 VanDerWaalsContact C-N 3.34Å; T679-I681 HydrophobicContact CG2-CD1 4.16Å; T679-I681 HydrophobicContact CG2-CG1 3.84Å; T679-I681 PolarHBondContact O-N 2.86Å; T679-I681 VanDerWaalsContact O-N 3.1Å; I681-K683 PolarHBondContact O-N 3.35Å
682	N	28.4	Very low	28.4	Very low	120 Å²	120	139.1 Å²	139.1	64%	0.642	74%	0.739	S	S	*	*			trans	-46.4	117	172.4	-103.2	-27.3	0	0	0	111.1	Q684	N682-Q684 PolarHBondContact O-N 3.47Å
683	K	27.9	Very low	29.1	Very low	207 Å²	207	142.5 Å²	142.5	90%	0.9	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	88.8	167.1	-90.2	-179.8	169	176.7	0	108.8	I681	I681-K683 PolarHBondContact O-N 3.35Å
684	Q	29	Very low	29.3	Very low	161 Å²	161	142.8 Å²	142.8	75%	0.752	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-155	-4.2	158.8	-115.2	169.4	8.1	0	0	117.6	N682	N682-Q684 PolarHBondContact O-N 3.47Å
685	E	32.1	Very low	29.6	Very low	180 Å²	180	142.1 Å²	142.1	84%	0.841	74%	0.736	S	S	*	*			trans	-133.6	80.9	178.7	-71.7	-175.6	152.1	0	0	112.1
686	Y	30.5	Very low	30	Very low	216 Å²	216	142.9 Å²	142.9	85%	0.847	74%	0.738	S	S	*	*			trans	-151.9	55.4	166	-106.2	-79.7	0	0	0	110.9
687	Q	29.2	Very low	30.4	Very low	181 Å²	181	142.6 Å²	142.6	85%	0.846	74%	0.735	S	S	*	*	S	Bend	trans	-111.1	127.1	156.2	-79.5	179.2	-10.7	0	0	106.9
688	N	29.9	Very low	30.6	Very low	157 Å²	157	146.9 Å²	146.9	84%	0.84	74%	0.738	S	S	*	*			trans	90.2	67	175.1	-47.4	-28.9	0	0	0	117.5
689	V	33.7	Very low	30.7	Very low	78 Å²	78	145.9 Å²	145.9	47%	0.473	73%	0.732	S	S	.	*			trans	-141	126.5	152.1	-172.5	0	0	0	0	110.4	Q693	V689-Q693 HydrophobicContact CG1-CB 4.3Å; V689-Q693 VanDerWaalsContact CG1-OE1 3.24Å
690	T	34.9	Very low	31	Very low	102 Å²	102	149.8 Å²	149.8	63%	0.626	74%	0.739	S	S	*	*			trans	-74.6	158.6	-170.1	42.9	0	0	0	0	113.8	D692 Q693	T690-D692 PolarHBondContact O-N 3.36Å; T690-Q693 PolarHBondContact O-N 3.03Å
691	T	35.5	Very low	30.9	Very low	118 Å²	118	152.9 Å²	152.9	72%	0.724	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-10.2	-170.1	19.9	0	0	0	0	116.8
692	D	34.2	Very low	30.7	Very low	139 Å²	139	153.7 Å²	153.7	74%	0.743	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-4.7	-174.3	-64.5	-32.7	0	0	0	114.6	T690	T690-D692 PolarHBondContact O-N 3.36Å
693	Q	38.6	Very low	30.6	Very low	144 Å²	144	153.9 Å²	153.9	67%	0.673	76%	0.755	S	S	*	*	S	Bend	trans	-97.6	1.7	172.8	-75.8	179.7	-38.9	0	0	113.4	V689 T690	V689-Q693 HydrophobicContact CG1-CB 4.3Å; V689-Q693 VanDerWaalsContact CG1-OE1 3.24Å; T690-Q693 PolarHBondContact O-N 3.03Å
694	K	31.9	Very low	30.4	Very low	147 Å²	147	149.9 Å²	149.9	64%	0.639	75%	0.747	S	S	*	*	S	Bend	trans	-89.2	0.2	-179.1	-71	-178.1	177	178.7	0	114.3
695	S	28.9	Very low	30.1	Very low	88 Å²	88	148.3 Å²	148.3	62%	0.615	75%	0.749	S	S	*	*	S	Bend	trans	-103.4	-5.4	-172.4	57.5	0	0	0	0	115.8
696	E	31.9	Very low	29.6	Very low	170 Å²	170	150.1 Å²	150.1	79%	0.794	75%	0.748	S	S	*	*	S	Bend	trans	-108.3	-18.2	-177.5	-158.2	166.2	-177	0	0	114.1
697	E	31.4	Very low	29.3	Very low	164 Å²	164	143.9 Å²	143.9	77%	0.766	74%	0.736	S	S	*	*	S	Bend	trans	-89.9	-17.7	177.4	-128.1	-126.3	149.1	0	0	113.4	T699	E697-T699 VanDerWaalsContact C-N 3.31Å; E697-T699 PolarHBondContact O-N 3.44Å
698	F	27.2	Very low	29.1	Very low	174 Å²	174	145.7 Å²	145.7	76%	0.763	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-10.2	179.5	-145.4	-99.9	0	0	0	113.5
699	T	29.3	Very low	28.7	Very low	113 Å²	113	145.9 Å²	145.9	69%	0.693	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	2.4	-173	-46.3	0	0	0	0	113.7	E697	E697-T699 VanDerWaalsContact C-N 3.31Å; E697-T699 PolarHBondContact O-N 3.44Å
700	K	30.5	Very low	28.2	Very low	194 Å²	194	148 Å²	148	84%	0.843	75%	0.745	S	S	*	*	S	Bend	trans	-105.2	-0.1	177.2	-84.2	-179	179.4	172.1	0	115.7
701	R	25.2	Very low	27.7	Very low	222 Å²	222	153.1 Å²	153.1	84%	0.838	76%	0.76	S	S	*	*	S	Bend	trans	-131	0.1	-174.5	-80.8	-176.4	168.5	164.7	-2.4	117.9
702	L	23.8	Very low	27	Very low	153 Å²	153	152.2 Å²	152.2	80%	0.801	76%	0.764	S	S	*	*			trans	-141.2	87.4	174.7	-111.8	94.3	0	0	0	111.2
703	C	26	Very low	26.7	Very low	124 Å²	124	150.5 Å²	150.5	84%	0.838	77%	0.769	S	S	*	*			trans	-157.9	119.3	162.8	-111.5	0	0	0	0	113.1
704	V	25.4	Very low	25.9	Very low	122 Å²	122	148.5 Å²	148.5	74%	0.739	77%	0.771	S	S	*	*			trans	93.2	88.5	146.9	-162.1	0	0	0	0	119.3
705	V	22.1	Very low	25.5	Very low	129 Å²	129	152.3 Å²	152.3	78%	0.782	78%	0.781	S	S	*	*			trans	-65.4	139.1	134.6	163.4	0	0	0	0	109.8
706	R	22.2	Very low	25.4	Very low	217 Å²	217	157.9 Å²	157.9	82%	0.819	80%	0.795	S	S	*	*			trans	96	123.5	164.1	-81.8	174.3	177.6	148.9	2	120.5
707	S	23.3	Very low	25	Very low	86 Å²	86	155.9 Å²	155.9	60%	0.601	80%	0.795	S	S	*	*			trans	67.6	117.5	144.1	62	0	0	0	0	119.1
708	Y	24.3	Very low	25.1	Very low	218 Å²	218	153.7 Å²	153.7	86%	0.855	80%	0.798	S	S	*	*				168	146.6	100.1	-92.9	-75.4	0	0	0	111.6
709	E	22.5	Very low	25	Very low	161 Å²	161	152.6 Å²	152.6	75%	0.752	80%	0.8	S	S	*	*			trans	-60	156	177.9	-63.5	164.5	137.5	0	0	113.8
710	T	22.2	Very low	25	Very low	122 Å²	122	157.1 Å²	157.1	75%	0.748	81%	0.81	S	S	*	*			trans	51.4	112.9	146.2	54.1	0	0	0	0	119
711	F	25.6	Very low	24.7	Very low	210 Å²	210	151 Å²	151	92%	0.921	80%	0.802	S	S	*	*				-155.7	111.1	129.9	-114.1	-80.2	0	0	0	110.4
712	A	21.5	Very low	24.9	Very low	99 Å²	99	148 Å²	148	82%	0.818	80%	0.801	S	S	*	*			trans	-71.1	133.1	162.8	0	0	0	0	0	109.4
713	A	26.6	Very low	24.9	Very low	103 Å²	103	148.8 Å²	148.8	85%	0.851	80%	0.8	S	S	*	*			trans	-145.9	115.5	158.4	0	0	0	0	0	109.5
714	S	22.8	Very low	25	Very low	102 Å²	102	149.8 Å²	149.8	71%	0.713	80%	0.803	S	S	*	*			trans	-74.6	159.5	-177.4	58.9	0	0	0	0	114.9
715	R	22.9	Very low	24.9	Very low	227 Å²	227	150.3 Å²	150.3	86%	0.857	81%	0.807	S	S	*	*			trans	70.4	127	155.2	-70.5	172.5	174.4	174.1	-1.2	114.8
716	F	26.5	Very low	25.2	Very low	205 Å²	205	149.2 Å²	149.2	90%	0.899	81%	0.805	S	S	*	*				-153.4	130.9	72.8	-97.8	-95	0	0	0	112.4
717	T	24.7	Very low	25.3	Very low	128 Å²	128	148.2 Å²	148.2	79%	0.785	81%	0.806	S	S	*	*			trans	-84.2	144.7	157.7	48.6	0	0	0	0	109.8
718	S	31.8	Very low	25.5	Very low	119 Å²	119	151.2 Å²	151.2	83%	0.832	82%	0.815	S	S	*	*			trans	-123.8	99.3	155.7	59.3	0	0	0	0	109.9
719	N	24.9	Very low	25.4	Very low	151 Å²	151	149.4 Å²	149.4	81%	0.807	81%	0.814	S	S	*	*			trans	-76.9	135.3	153	-85.3	-21	0	0	0	108.8
720	F	30.2	Very low	25.6	Very low	207 Å²	207	146 Å²	146	91%	0.908	81%	0.814	S	S	*	*			trans	-165	110.4	150.2	-107	-80.5	0	0	0	105.4
721	G	25.2	Very low	25.7	Very low	65 Å²	65	151.6 Å²	151.6	67%	0.67	82%	0.821	S	S	*	*				85.8	120.3	77.1	0	0	0	0	0	108.1
722	I	28.1	Very low	25.7	Very low	161 Å²	161	149.8 Å²	149.8	83%	0.826	82%	0.815	S	S	*	*				-171.1	145.5	63.8	-82.9	154.6	0	0	0	109.3
723	E	23.4	Very low	25.9	Very low	168 Å²	168	151.7 Å²	151.7	79%	0.785	81%	0.812	S	S	*	*			trans	-52.8	153.3	169.7	-62	160.5	131.1	0	0	114.2
724	T	28.6	Very low	26	Very low	146 Å²	146	152.2 Å²	152.2	90%	0.896	81%	0.805	S	S	*	*				-164.1	105.8	128.5	17.8	0	0	0	0	110.8
725	T	24.5	Very low	26.1	Very low	133 Å²	133	152.7 Å²	152.7	82%	0.816	80%	0.804	S	S	*	*			trans	-71	132.9	158.5	47.6	0	0	0	0	111
726	S	28.5	Very low	26.3	Very low	105 Å²	105	146.3 Å²	146.3	73%	0.734	79%	0.79	S	S	*	*			trans	177.8	110.3	145.7	54.1	0	0	0	0	108.9
727	K	24.1	Very low	26.4	Very low	196 Å²	196	146.5 Å²	146.5	85%	0.852	79%	0.785	S	S	*	*				74.6	143.2	85.5	-95.2	-174.1	176.9	179.4	0	114.5
728	L	26.7	Very low	26.8	Very low	150 Å²	150	146 Å²	146	79%	0.785	78%	0.777	S	S	*	*			trans	95.9	96.5	167.4	-64	137.6	0	0	0	113.9
729	E	23.1	Very low	26.8	Very low	180 Å²	180	147 Å²	147	84%	0.841	77%	0.772	S	S	*	*				50	109.5	73.2	-64.6	-171.9	153.4	0	0	113.1
730	A	26.3	Very low	27	Very low	90 Å²	90	143.6 Å²	143.6	74%	0.744	76%	0.759	S	S	*	*			trans	162.8	107.7	135	0	0	0	0	0	107.3
731	R	22.9	Very low	27	Very low	238 Å²	238	140.9 Å²	140.9	90%	0.898	75%	0.754	S	S	*	*				46.7	108.3	92.5	-80	-175.2	168	178.9	-2.2	112.1
732	Q	27.3	Very low	27.5	Very low	172 Å²	172	141.3 Å²	141.3	80%	0.804	75%	0.752	S	S	*	*				173.1	117.8	122	-92.7	170.5	22.2	0	0	107
733	N	25.9	Very low	27.6	Very low	139 Å²	139	140.7 Å²	140.7	74%	0.743	75%	0.749	S	S	*	*				65.5	127.2	105.3	-65.4	-11.5	0	0	0	110
734	T	28.2	Very low	28.1	Very low	115 Å²	115	139.1 Å²	139.1	71%	0.706	75%	0.745	S	S	*	*				-179.2	138.4	58.9	-18.4	0	0	0	0	106.6
735	T	25.3	Very low	28.3	Very low	112 Å²	112	138.2 Å²	138.2	69%	0.687	74%	0.735	S	S	*	*			trans	45.5	133.2	133.9	51.7	0	0	0	0	118.5
736	T	27.2	Very low	28.8	Very low	93 Å²	93	138.3 Å²	138.3	57%	0.571	73%	0.73	S	S	*	*			cis	174.6	142.4	47.1	-4.3	0	0	0	0	108.4
737	R	27.8	Very low	28.9	Very low	209 Å²	209	140 Å²	140	79%	0.789	73%	0.731	S	S	*	*			trans	59.6	125.5	132.7	-82.4	178.9	-176	125.6	-1.7	118
738	N	33.5	Very low	29.4	Very low	118 Å²	118	137.4 Å²	137.4	63%	0.631	73%	0.726	S	S	*	*				-176.8	132.6	53.6	-100.3	-20.2	0	0	0	109.4
739	I	30.3	Very low	29.6	Very low	140 Å²	140	136.3 Å²	136.3	72%	0.718	72%	0.721	S	S	*	*				83.7	131	111.5	-63.3	171.3	0	0	0	113
740	S	29.2	Very low	30	Very low	78 Å²	78	134.2 Å²	134.2	55%	0.545	72%	0.716	S	S	.	*			cis	-178.4	162.7	-13.2	56.6	0	0	0	0	107.2
741	D	31.8	Very low	30.4	Very low	150 Å²	150	134.7 Å²	134.7	80%	0.802	71%	0.714	S	S	*	*			trans	73.4	135.1	152.9	-48.1	-35.7	0	0	0	117.9
742	A	34.1	Very low	30.8	Very low	74 Å²	74	130.1 Å²	130.1	61%	0.612	71%	0.707	S	S	*	*			cis	-164.9	131.6	17.5	0	0	0	0	0	108.5
743	L	31.2	Very low	31.1	Very low	149 Å²	149	127.4 Å²	127.4	78%	0.78	70%	0.702	S	S	*	*				92	109.1	105.3	-71.1	176.5	0	0	0	114.1
744	I	34.3	Very low	31.5	Very low	135 Å²	135	126 Å²	126	69%	0.692	70%	0.699	S	S	*	*				119.9	143.5	94.2	-82	168.1	0	0	0	105.5
745	D	31.9	Very low	31.8	Very low	127 Å²	127	128.3 Å²	128.3	68%	0.679	71%	0.705	S	S	*	*			cis	-176.7	164.5	-23.7	-101.7	-34.1	0	0	0	104.4
746	N	34.2	Very low	32.2	Very low	135 Å²	135	125.9 Å²	125.9	72%	0.722	70%	0.702	S	S	*	*			trans	88	95.5	151.9	-60.4	-34.9	0	0	0	120.5
747	N	30.7	Very low	32.6	Very low	140 Å²	140	127.1 Å²	127.1	75%	0.749	72%	0.715	S	S	*	*				19	124.8	106.5	-63.9	-31.5	0	0	0	117.9
748	N	34.6	Very low	32.8	Very low	141 Å²	141	126 Å²	126	75%	0.754	72%	0.715	S	S	*	*				163.3	125.2	112	-94.5	-13.6	0	0	0	112.7
749	D	31.4	Very low	32.7	Very low	127 Å²	127	127.7 Å²	127.7	68%	0.679	72%	0.72	S	S	*	*				47.5	132.4	123.4	-70.2	-8.8	0	0	0	123.2
750	N	31.2	Very low	32.8	Very low	137 Å²	137	128.4 Å²	128.4	73%	0.733	72%	0.723	S	S	*	*			trans	71.1	120.8	139	-65.6	-28.3	0	0	0	118.4
751	S	34.6	Very low	33	Very low	99 Å²	99	129.6 Å²	129.6	69%	0.692	72%	0.723	S	S	*	*				161.4	138.7	100.7	53.6	0	0	0	0	112.5
752	N	32.6	Very low	33.1	Very low	143 Å²	143	129.3 Å²	129.3	77%	0.765	72%	0.721	S	S	*	*			trans	65.3	134.3	135.7	-62.8	-10.6	0	0	0	117.2
753	T	33.9	Very low	32.9	Very low	114 Å²	114	130.8 Å²	130.8	70%	0.699	72%	0.723	S	S	*	*			cis	176.5	122	43.2	-0.2	0	0	0	0	106.3
754	T	33.6	Very low	33.1	Very low	109 Å²	109	130.2 Å²	130.2	67%	0.669	72%	0.72	S	S	*	*				81.4	123.1	109.1	48.3	0	0	0	0	120.5
755	I	33.7	Very low	33	Very low	165 Å²	165	134.8 Å²	134.8	85%	0.846	73%	0.729	S	S	*	*			trans	77.1	123.4	132.9	-57.4	160.5	0	0	0	117
756	G	33.9	Very low	33	Very low	60 Å²	60	137.4 Å²	137.4	62%	0.619	74%	0.742	S	S	*	*			cis	175.9	169.2	-0.8	0	0	0	0	0	113.7
757	S	35.7	Very low	32.9	Very low	119 Å²	119	134.1 Å²	134.1	83%	0.832	74%	0.74	S	S	*	*			trans	66	134.9	150.4	24.3	0	0	0	0	119
758	K	33.3	Very low	33	Very low	185 Å²	185	134.6 Å²	134.6	80%	0.804	74%	0.743	S	S	*	*			cis	-176.1	111.1	5.3	-160.8	171.6	-176.9	178	0	105.5
759	E	31.3	Very low	32.8	Very low	154 Å²	154	133.1 Å²	133.1	72%	0.72	74%	0.739	S	S	*	*				45.7	130.4	98.3	-87.7	-173.8	170	0	0	118.9	I761	E759-I761 HydrophobicContact CG-CD1 4.07Å
760	I	32.5	Very low	32.7	Very low	155 Å²	155	134.4 Å²	134.4	80%	0.795	75%	0.745	S	S	*	*				167.9	101.7	129.8	-76.9	150.7	0	0	0	104.9
761	I	33	Very low	32.7	Very low	104 Å²	104	136.4 Å²	136.4	53%	0.533	75%	0.75	S	S	.	*				69.4	115.5	53.9	-50.5	-180	0	0	0	114.1	E759	E759-I761 HydrophobicContact CG-CD1 4.07Å
762	D	32.6	Very low	32.5	Very low	143 Å²	143	139.7 Å²	139.7	77%	0.765	76%	0.758	S	S	*	*				160	97.6	128.7	-88.3	-32.8	0	0	0	109.1
763	T	30.9	Very low	32.3	Very low	106 Å²	106	137.5 Å²	137.5	65%	0.65	75%	0.754	S	S	*	*				46.7	122.7	79	62.5	0	0	0	0	118
764	N	34.6	Very low	32	Very low	136 Å²	136	136.9 Å²	136.9	73%	0.727	75%	0.754	S	S	*	*			trans	142.9	109.3	139.6	-75.2	-40.8	0	0	0	111.5
765	R	33.5	Very low	31.7	Very low	232 Å²	232	136.6 Å²	136.6	88%	0.875	76%	0.757	S	S	*	*				95.8	115.8	79.7	-97.2	-175.6	161.8	179.3	-3.1	113.3
766	L	30.6	Very low	31.3	Very low	181 Å²	181	134 Å²	134	95%	0.948	75%	0.753	S	S	*	*			trans	29.4	130.9	139.3	-108	78.6	0	0	0	120.6
767	G	33.1	Very low	31	Very low	66 Å²	66	137.2 Å²	137.2	68%	0.68	76%	0.761	S	S	*	*			trans	145.8	102.3	140.7	0	0	0	0	0	117.3
768	N	33	Very low	30.6	Very low	151 Å²	151	138.1 Å²	138.1	81%	0.807	75%	0.752	S	S	*	*			trans	65	123.2	135.5	-65.8	-3.6	0	0	0	123
769	T	29.1	Very low	30.3	Very low	110 Å²	110	136.6 Å²	136.6	68%	0.675	75%	0.748	S	S	*	*			trans	57.8	113.4	132.5	63	0	0	0	0	119.2
770	D	31	Very low	30.1	Very low	153 Å²	153	136.3 Å²	136.3	82%	0.818	75%	0.749	S	S	*	*				-178.3	146.1	98.6	-91	-29.1	0	0	0	111.7
771	H	29.6	Very low	29.7	Very low	179 Å²	179	138.5 Å²	138.5	83%	0.829	75%	0.753	S	S	*	*			trans	-58.2	145.2	170.6	-73.4	-87.7	0	0	0	111.3
772	I	30.4	Very low	29.5	Very low	168 Å²	168	141.3 Å²	141.3	86%	0.862	77%	0.768	S	S	*	*				176.5	148	126.7	-85.3	151.5	0	0	0	108.9
773	S	29.2	Very low	29.3	Very low	97 Å²	97	139.2 Å²	139.2	68%	0.678	76%	0.764	S	S	*	*			trans	-65.2	154.6	-162.5	49.4	0	0	0	0	119.4
774	S	28.1	Very low	29	Very low	101 Å²	101	143.6 Å²	143.6	71%	0.706	77%	0.774	S	S	*	*			trans	72.6	110.6	136.4	70.8	0	0	0	0	121.9
775	S	27.6	Very low	28.7	Very low	103 Å²	103	147.6 Å²	147.6	72%	0.72	79%	0.785	S	S	*	*				74.4	128	125.8	73.3	0	0	0	0	121.6
776	S	24.3	Very low	28.5	Very low	111 Å²	111	141.1 Å²	141.1	78%	0.776	78%	0.776	S	S	*	*			trans	79.1	139.2	151.1	-53.8	0	0	0	0	115.5
777	V	27	Very low	28.4	Very low	127 Å²	127	143.3 Å²	143.3	77%	0.77	77%	0.771	S	S	*	*			trans	114	126	-171.9	167.5	0	0	0	0	108.2
778	E	28.6	Very low	28.2	Very low	139 Å²	139	146.3 Å²	146.3	65%	0.65	78%	0.777	S	S	*	*			cis	-170.2	153.6	10.1	-104.8	171.8	160.3	0	0	109.1
779	Q	26.4	Very low	28	Very low	153 Å²	153	144.8 Å²	144.8	72%	0.715	77%	0.773	S	S	*	*			trans	49.6	132.3	133.7	-52.7	172.1	29.8	0	0	118.6
780	I	27	Very low	28.1	Very low	147 Å²	147	149.3 Å²	149.3	75%	0.754	78%	0.784	S	S	*	*				-159.8	136.9	62.7	-76	167.4	0	0	0	109.9	I782	I780-I782 HydrophobicContact CG2-CG1 4.25Å
781	K	24	Very low	28.3	Very low	202 Å²	202	149.3 Å²	149.3	88%	0.878	78%	0.781	S	S	*	*			trans	-83.6	124.5	171.6	-136.6	176.7	-173.1	175.7	0	108.2
782	I	28.8	Very low	28.4	Very low	163 Å²	163	149.5 Å²	149.5	84%	0.836	78%	0.779	S	S	*	*			trans	-136.4	118.4	148.4	-59.2	-176.7	0	0	0	109	I780	I780-I782 HydrophobicContact CG2-CG1 4.25Å
783	S	28	Very low	28.5	Very low	98 Å²	98	148.7 Å²	148.7	69%	0.685	78%	0.776	S	S	*	*			trans	-77.9	146.6	-179.9	49.1	0	0	0	0	113.3
784	K	25.4	Very low	28.8	Very low	198 Å²	198	148.6 Å²	148.6	86%	0.861	77%	0.773	S	S	*	*			trans	38.4	116.3	145.8	-70.7	-178.1	175.4	178.2	0	117.8
785	F	28	Very low	29.4	Very low	220 Å²	220	151.2 Å²	151.2	97%	0.965	78%	0.777	S	S	*	*			trans	-142.6	132.7	137.5	-123.8	-91.9	0	0	0	110.9
786	S	28.9	Very low	30	Very low	97 Å²	97	153.1 Å²	153.1	68%	0.678	78%	0.78	S	S	*	*			trans	-89.4	144.7	-176	121.9	0	0	0	0	110.5
787	R	28.5	Very low	30.9	Very low	226 Å²	226	152.6 Å²	152.6	85%	0.853	77%	0.767	S	S	*	*			trans	37.4	140.4	153.4	-80	-176.8	172	167.9	-2.7	120.3
788	T	29	Very low	31.7	Very low	129 Å²	129	152.6 Å²	152.6	79%	0.791	76%	0.762	S	S	*	*			trans	85.4	123.5	150.6	17.5	0	0	0	0	118.2
789	T	29	Very low	32.3	Very low	119 Å²	119	150 Å²	150	73%	0.73	76%	0.759	S	S	*	*			trans	89.5	93	156.1	-40.7	0	0	0	0	116.9
790	F	32.3	Very low	32.8	Very low	206 Å²	206	150.1 Å²	150.1	90%	0.904	76%	0.757	S	S	*	*				-151.9	88.3	129.1	-101.2	-76.6	0	0	0	108.2
791	M	33.8	Very low	33.6	Very low	153 Å²	153	148.7 Å²	148.7	75%	0.754	75%	0.75	S	S	*	*			trans	-69	156.2	150	-78.9	-152.5	-155.4	0	0	108.5
792	F	32.8	Very low	34.4	Very low	183 Å²	183	144.2 Å²	144.2	80%	0.803	74%	0.743	S	S	*	*			trans	79.9	79.4	168.9	-54.8	-78	0	0	0	116.8
793	L	31.5	Very low	34.9	Very low	150 Å²	150	144.4 Å²	144.4	79%	0.785	74%	0.74	S	S	*	*			trans	-147.4	145.8	135.7	-97.6	125.2	0	0	0	110
794	P	35.8	Very low	35.3	Very low	96 Å²	96	149 Å²	149	62%	0.623	76%	0.756	S	S	*	*			trans	-70.7	152.4	-167.6	-11.4	27.5	0	0	0	112.9	N796	P794-N796 PolarHBondContact O-N 3.32Å
795	I	40.3	Very low	35.8	Very low	155 Å²	155	146.6 Å²	146.6	80%	0.795	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	-5.9	-173.5	-74.8	162.8	0	0	0	115.6
796	N	41.7	Very low	36.2	Very low	143 Å²	143	142.7 Å²	142.7	77%	0.765	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-1	-172.2	-69.5	-4.3	0	0	0	116.3	P794	P794-N796 PolarHBondContact O-N 3.32Å
797	I	42.7	Very low	36.6	Very low	101 Å²	101	145.3 Å²	145.3	52%	0.518	74%	0.743	S	S	.	*	S	Bend	trans	-105.5	-19.7	-179.3	-64.9	176.2	0	0	0	112.9	S799 F800 I801	I797-S799 VanDerWaalsContact C-N 3.33Å; I797-S799 PolarHBondContact O-N 3.44Å; I797-F800 PolarHBondContact O-N 3.44Å; I797-I801 HydrophobicContact CG2-CD1 4.44Å
798	I	42.9	Very low	37.1	Very low	127 Å²	127	140.5 Å²	140.5	65%	0.651	74%	0.737	S	S	*	*	H	α-helix	trans	-76.5	-23.4	179.1	-63.2	174.2	0	0	0	111.6	F800	I798-F800 VanDerWaalsContact C-N 3.27Å; I798-F800 PolarHBondContact O-N 3.02Å
799	S	41.8	Very low	37.6	Very low	85 Å²	85	141.3 Å²	141.3	59%	0.594	73%	0.733	S	S	*	*	H	α-helix	trans	-69.7	-20.7	174.8	-165.4	0	0	0	0	113.8	I797	I797-S799 VanDerWaalsContact C-N 3.33Å; I797-S799 PolarHBondContact O-N 3.44Å
800	F	37.2	Very low	38.2	Very low	155 Å²	155	142.7 Å²	142.7	68%	0.68	73%	0.733	S	S	*	*	H	α-helix	trans	-93.6	-16.3	-177.5	-159	-99.3	0	0	0	113.2	I797 I798	I797-F800 PolarHBondContact O-N 3.44Å; I798-F800 VanDerWaalsContact C-N 3.27Å; I798-F800 PolarHBondContact O-N 3.02Å
801	I	42.6	Very low	38.6	Very low	116 Å²	116	138.2 Å²	138.2	60%	0.595	72%	0.721	S	S	*	*	H	α-helix	trans	-94.8	-13.3	-179.2	-62.4	176.9	0	0	0	111.8	I797	I797-I801 HydrophobicContact CG2-CD1 4.44Å
802	C	40.8	Very low	39	Very low	108 Å²	108	137.1 Å²	137.1	73%	0.73	72%	0.719	S	S	*	*	S	Bend	trans	-99.7	-2.5	173.2	-71	0	0	0	0	114.3
803	E	39.7	Very low	39.5	Very low	168 Å²	168	133.3 Å²	133.3	79%	0.785	71%	0.712	S	S	*	*			trans	-96.2	-2	169.8	-98.5	178.7	162.4	0	0	113.2
804	L	36.7	Very low	40.2	Very low	195 Å²	195	131.7 Å²	131.7	100%	1.021	71%	0.705	S	S	*	*			trans	-100.6	0	162.1	-83.4	161.1	0	0	0	108.9

Retrieved 804 of 804 residues in 118.2 ms (Link to these results)

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