A0A5K4F3Z1_SCHMA Loading...

Beta-1,4-galactosyltransferase

Catalyses the transfer of galactose onto proteins or lipids.

AlphaFold DB , UniProt , Accession A0A5K4F3Z1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 322 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	49.4	Very low	60.5	Low	223 Å²	223	144.2 Å²	144.2	100%	1.099	70%	0.696	S	S	*	*				0	-17.1	0	-152.6	163.9	159.2	0	0	114.6
2	F	51.6	Low	62.1	Low	189 Å²	189	145.9 Å²	145.9	83%	0.829	69%	0.692	S	S	*	*	H	α-helix	trans	-78.9	-26.3	-178.4	-82.7	-88	0	0	0	116.4
3	S	53.1	Low	63.5	Low	106 Å²	106	144.5 Å²	144.5	74%	0.741	68%	0.677	S	S	*	*	H	α-helix	trans	-69.9	-36.6	-178.8	-173	0	0	0	0	113.3	K5 K6 S7	S3-K5 PolarHBondContact O-N 3.23Å; S3-K6 PolarHBondContact O-N 3.37Å; S3-S7 PolarHBondContact O-N 3.41Å
4	K	52.9	Low	64.8	Low	185 Å²	185	138.3 Å²	138.3	80%	0.804	66%	0.663	S	S	*	*	H	α-helix	trans	-66.4	-33.5	177.6	-78.5	-172.9	175.4	-177.6	0	113.3	S8	K4-S8 PolarHBondContact O-N 3.13Å; K4-S8 VanDerWaalsContact O-N 3.1Å
5	K	54.6	Low	66.1	Low	166 Å²	166	135.5 Å²	135.5	72%	0.722	65%	0.652	S	S	*	*	H	α-helix	trans	-69.2	-37.8	177.3	-102.8	-175.6	177	-178.3	0	112.7	S3 S8 F9	S3-K5 PolarHBondContact O-N 3.23Å; K5-S8 PolarHBondContact O-N 2.73Å; K5-F9 PolarHBondContact O-N 3.36Å
6	K	56.5	Low	67.3	Low	152 Å²	152	131.2 Å²	131.2	66%	0.661	64%	0.64	S	S	*	*	H	α-helix	trans	-70.8	-33.6	178.8	-148.5	173.2	-172.5	177	0	112.2	S3 R10	S3-K6 PolarHBondContact O-N 3.37Å; K6-R10 WeakPolarHBondContact O-CG 3.47Å; K6-R10 PolarHBondContact O-N 3.28Å
7	S	59.1	Low	68.4	Low	64 Å²	64	130.8 Å²	130.8	45%	0.448	63%	0.634	S	S	.	*	H	α-helix	trans	-66.2	-49	171.5	177.3	0	0	0	0	111.9	S3 F9 R10 I11	S3-S7 PolarHBondContact O-N 3.41Å; S7-F9 PolarHBondContact O-N 3.44Å; S7-R10 PolarHBondContact O-N 2.99Å; S7-I11 VanDerWaalsContact O-CG1 3.32Å; S7-I11 WeakPolarHBondContact O-CG1 3.38Å; S7-I11 PolarHBondContact O-N 3.16Å
8	S	64.9	Low	69.5	Low	76 Å²	76	126.4 Å²	126.4	53%	0.531	62%	0.623	S	S	.	*	H	α-helix	trans	-60.8	-39.9	178.5	-174.6	0	0	0	0	112.9	K4 K5 I11 Y12	K4-S8 PolarHBondContact O-N 3.13Å; K4-S8 VanDerWaalsContact O-N 3.1Å; K5-S8 PolarHBondContact O-N 2.73Å; S8-I11 PolarHBondContact O-N 2.94Å; S8-Y12 WeakPolarHBondContact O-CB 3.3Å; S8-Y12 PolarHBondContact O-N 2.92Å
9	F	71.1	Confident	70.6	Confident	147 Å²	147	123.2 Å²	123.2	65%	0.645	61%	0.611	S	S	*	*	H	α-helix	trans	-66.8	-37.8	176.2	-165.7	-97.8	0	0	0	113	K5 S7 Y12 Y13	K5-F9 PolarHBondContact O-N 3.36Å; S7-F9 PolarHBondContact O-N 3.44Å; F9-Y12 PolarHBondContact O-N 3.28Å; F9-Y13 WeakPolarHBondContact O-CB 3.06Å; F9-Y13 PolarHBondContact O-N 3.35Å
10	R	75.1	Confident	71.6	Confident	183 Å²	183	119.1 Å²	119.1	69%	0.691	60%	0.601	S	S	*	*	H	α-helix	trans	-65.8	-39.9	173.9	-79.4	-177.6	171.7	-176.4	-3.2	111.9	K6 S7 A14	K6-R10 WeakPolarHBondContact O-CG 3.47Å; K6-R10 PolarHBondContact O-N 3.28Å; S7-R10 PolarHBondContact O-N 2.99Å; R10-A14 VanDerWaalsContact O-CB 3.3Å; R10-A14 WeakPolarHBondContact O-CB 3.49Å; R10-A14 PolarHBondContact O-N 3.46Å
11	I	77.5	Confident	72.5	Confident	95 Å²	95	119.3 Å²	119.3	49%	0.487	60%	0.603	S	S	.	*	H	α-helix	trans	-64.9	-46.6	175.8	-66.8	164.7	0	0	0	110	S7 S8 Y13 A14 I15	S7-I11 VanDerWaalsContact O-CG1 3.32Å; S7-I11 WeakPolarHBondContact O-CG1 3.38Å; S7-I11 PolarHBondContact O-N 3.16Å; S8-I11 PolarHBondContact O-N 2.94Å; I11-Y13 PolarHBondContact O-N 3.42Å; I11-A14 PolarHBondContact O-N 2.96Å; I11-I15 HydrophobicContact CG2-CD1 3.7Å; I11-I15 HydrophobicContact CG2-CG1 4.38Å; I11-I15 VanDerWaalsContact O-CG1 3.27Å; I11-I15 WeakPolarHBondContact O-CG1 3.32Å; I11-I15 PolarHBondContact O-N 3.35Å
12	Y	80	Confident	74.6	Confident	165 Å²	165	113.3 Å²	113.3	65%	0.647	58%	0.575	S	S	*	*	H	α-helix	trans	-61.2	-44	177.5	-174.1	-95.6	0	0	0	112.3	S8 F9 A14 I15 S16	S8-Y12 WeakPolarHBondContact O-CB 3.3Å; S8-Y12 PolarHBondContact O-N 2.92Å; F9-Y12 PolarHBondContact O-N 3.28Å; Y12-A14 PolarHBondContact O-N 2.86Å; Y12-I15 PolarHBondContact O-N 2.88Å; Y12-S16 WeakPolarHBondContact O-CB 3.45Å; Y12-S16 PolarHBondContact O-N 2.93Å
13	Y	79.7	Confident	76.6	Confident	128 Å²	128	111 Å²	111	50%	0.502	57%	0.565	S	S	.	*	H	α-helix	trans	-64.7	-38.2	176.1	-173.9	-102.6	0	0	0	112.5	F9 I11 K17	F9-Y13 WeakPolarHBondContact O-CB 3.06Å; F9-Y13 PolarHBondContact O-N 3.35Å; I11-Y13 PolarHBondContact O-N 3.42Å; Y13-K17 HydrophobicContact CD1-CD 4.21Å; Y13-K17 HydrophobicContact CE1-CD 3.66Å; Y13-K17 HydrophobicContact CE1-CG 4.29Å; Y13-K17 WeakPolarHBondContact O-CB 3.42Å; Y13-K17 PolarHBondContact O-N 3.45Å; Y13-K17 WeakPolarHBondContact OH-CE 3.46Å; Y13-K17 PolarHBondContact OH-NZ 3.19Å; Y13-K17 VanDerWaalsContact OH-NZ 3.13Å
14	A	81.7	Confident	78.4	Confident	57 Å²	57	109.3 Å²	109.3	47%	0.471	55%	0.552	S	S	.	*	H	α-helix	trans	-65.7	-42.8	174.9	0	0	0	0	0	111.9	R10 I11 Y12 K17 A18	R10-A14 VanDerWaalsContact O-CB 3.3Å; R10-A14 WeakPolarHBondContact O-CB 3.49Å; R10-A14 PolarHBondContact O-N 3.46Å; I11-A14 PolarHBondContact O-N 2.96Å; Y12-A14 PolarHBondContact O-N 2.86Å; A14-K17 PolarHBondContact O-N 2.93Å; A14-A18 WeakPolarHBondContact O-CB 3.31Å; A14-A18 PolarHBondContact O-N 2.87Å
15	I	84.7	Confident	80.3	Confident	97 Å²	97	103.8 Å²	103.8	50%	0.497	53%	0.534	S	S	.	.	H	α-helix	trans	-64.3	-46	175.7	-66.8	167.1	0	0	0	110.4	I11 Y12 K17 A18 V19	I11-I15 HydrophobicContact CG2-CD1 3.7Å; I11-I15 HydrophobicContact CG2-CG1 4.38Å; I11-I15 VanDerWaalsContact O-CG1 3.27Å; I11-I15 WeakPolarHBondContact O-CG1 3.32Å; I11-I15 PolarHBondContact O-N 3.35Å; Y12-I15 PolarHBondContact O-N 2.88Å; I15-K17 VanDerWaalsContact C-N 3.35Å; I15-K17 PolarHBondContact O-N 3.32Å; I15-A18 PolarHBondContact O-N 3.06Å; I15-A18 VanDerWaalsContact O-N 3.16Å; I15-V19 HydrophobicContact CG2-CG2 4.3Å; I15-V19 VanDerWaalsContact O-CG2 3.31Å; I15-V19 WeakPolarHBondContact O-CG2 3.3Å; I15-V19 PolarHBondContact O-N 3.23Å
16	S	84.7	Confident	82.2	Confident	66 Å²	66	99.6 Å²	99.6	46%	0.462	52%	0.519	S	S	.	.	H	α-helix	trans	-60.9	-41.9	178.1	178.5	0	0	0	0	112.1	Y12 V19 G20	Y12-S16 WeakPolarHBondContact O-CB 3.45Å; Y12-S16 PolarHBondContact O-N 2.93Å; S16-V19 PolarHBondContact O-N 3.49Å; S16-G20 PolarHBondContact O-N 2.95Å
17	K	85.8	Confident	83.9	Confident	124 Å²	124	98.2 Å²	98.2	54%	0.539	51%	0.513	S	S	.	.	H	α-helix	trans	-62.7	-44	172.3	-83.9	-170	165.5	177.2	0	112.7	Y13 A14 I15 G20 L21	Y13-K17 HydrophobicContact CD1-CD 4.21Å; Y13-K17 HydrophobicContact CE1-CD 3.66Å; Y13-K17 HydrophobicContact CE1-CG 4.29Å; Y13-K17 WeakPolarHBondContact O-CB 3.42Å; Y13-K17 PolarHBondContact O-N 3.45Å; Y13-K17 WeakPolarHBondContact OH-CE 3.46Å; Y13-K17 PolarHBondContact OH-NZ 3.19Å; Y13-K17 VanDerWaalsContact OH-NZ 3.13Å; A14-K17 PolarHBondContact O-N 2.93Å; I15-K17 VanDerWaalsContact C-N 3.35Å; I15-K17 PolarHBondContact O-N 3.32Å; K17-G20 PolarHBondContact O-N 2.96Å; K17-L21 WeakPolarHBondContact O-CB 3.45Å; K17-L21 PolarHBondContact O-N 3.47Å
18	A	88.8	Confident	85.5	Confident	52 Å²	52	100.1 Å²	100.1	43%	0.43	52%	0.517	S	S	.	.	H	α-helix	trans	-62.4	-44.1	178.4	0	0	0	0	0	111.4	A14 I15 L21 I22	A14-A18 WeakPolarHBondContact O-CB 3.31Å; A14-A18 PolarHBondContact O-N 2.87Å; I15-A18 PolarHBondContact O-N 3.06Å; I15-A18 VanDerWaalsContact O-N 3.16Å; A18-L21 PolarHBondContact O-N 3.47Å; A18-I22 VanDerWaalsContact O-CG1 3.3Å; A18-I22 WeakPolarHBondContact O-CG1 3.34Å; A18-I22 PolarHBondContact O-N 3.1Å
19	V	90.9	Very high	86.7	Confident	66 Å²	66	102 Å²	102	40%	0.4	52%	0.521	S	S	.	.	H	α-helix	trans	-61.8	-45.8	175.5	172.2	0	0	0	0	110.9	I15 S16 L21 I22 F23	I15-V19 HydrophobicContact CG2-CG2 4.3Å; I15-V19 VanDerWaalsContact O-CG2 3.31Å; I15-V19 WeakPolarHBondContact O-CG2 3.3Å; I15-V19 PolarHBondContact O-N 3.23Å; S16-V19 PolarHBondContact O-N 3.49Å; V19-L21 VanDerWaalsContact C-N 3.32Å; V19-L21 PolarHBondContact O-N 2.84Å; V19-I22 PolarHBondContact O-N 3.22Å; V19-F23 HydrophobicContact CG1-CD2 3.7Å; V19-F23 HydrophobicContact CG1-CE2 3.56Å; V19-F23 VanDerWaalsContact O-CD2 3.28Å; V19-F23 WeakPolarHBondContact O-CD2 3.27Å; V19-F23 PolarHBondContact O-N 3.04Å
20	G	89.6	Confident	87.5	Confident	40 Å²	40	100.7 Å²	100.7	41%	0.412	52%	0.517	S	S	.	.	H	α-helix	trans	-60	-39.5	175.7	0	0	0	0	0	113.2	S16 K17 F23 C24	S16-G20 PolarHBondContact O-N 2.95Å; K17-G20 PolarHBondContact O-N 2.96Å; G20-F23 PolarHBondContact O-N 3.49Å; G20-C24 WeakPolarHBondContact O-CB 3.21Å; G20-C24 PolarHBondContact O-N 3.4Å
21	L	91.2	Very high	88	Confident	125 Å²	125	95.5 Å²	95.5	65%	0.654	50%	0.502	S	S	*	.	H	α-helix	trans	-65.4	-42.2	176.3	-147	86.2	0	0	0	111.2	K17 A18 V19 C24 T25	K17-L21 WeakPolarHBondContact O-CB 3.45Å; K17-L21 PolarHBondContact O-N 3.47Å; A18-L21 PolarHBondContact O-N 3.47Å; V19-L21 VanDerWaalsContact C-N 3.32Å; V19-L21 PolarHBondContact O-N 2.84Å; L21-C24 PolarHBondContact O-N 2.86Å; L21-T25 WeakPolarHBondContact O-CG2 3.34Å; L21-T25 PolarHBondContact O-N 2.8Å; L21-T25 PolarHBondContact O-OG1 3.27Å
22	I	93.4	Very high	88.5	Confident	97 Å²	97	98.6 Å²	98.6	50%	0.497	51%	0.509	S	S	.	.	H	α-helix	trans	-60.9	-49.4	176.9	-68.5	164	0	0	0	110.4	A18 V19 C24 T25 I26	A18-I22 VanDerWaalsContact O-CG1 3.3Å; A18-I22 WeakPolarHBondContact O-CG1 3.34Å; A18-I22 PolarHBondContact O-N 3.1Å; V19-I22 PolarHBondContact O-N 3.22Å; I22-C24 VanDerWaalsContact C-N 3.29Å; I22-C24 PolarHBondContact O-N 2.79Å; I22-T25 WeakPolarHBondContact CA-OG1 3.32Å; I22-T25 PolarHBondContact O-N 3.34Å; I22-T25 VanDerWaalsContact O-N 3.17Å; I22-T25 PolarHBondContact O-OG1 2.84Å; I22-I26 HydrophobicContact CG2-CD1 3.79Å; I22-I26 HydrophobicContact CG2-CG1 4.42Å; I22-I26 WeakPolarHBondContact O-CG1 3.31Å; I22-I26 PolarHBondContact O-N 2.89Å
23	F	93	Very high	88.7	Confident	140 Å²	140	97.2 Å²	97.2	61%	0.614	51%	0.506	S	S	*	.	H	α-helix	trans	-58.7	-40.6	175.9	-83.5	-71.1	0	0	0	112.4	V19 G20 I26 F27	V19-F23 HydrophobicContact CG1-CD2 3.7Å; V19-F23 HydrophobicContact CG1-CE2 3.56Å; V19-F23 VanDerWaalsContact O-CD2 3.28Å; V19-F23 WeakPolarHBondContact O-CD2 3.27Å; V19-F23 PolarHBondContact O-N 3.04Å; G20-F23 PolarHBondContact O-N 3.49Å; F23-I26 PolarHBondContact O-N 3.28Å; F23-F27 WeakPolarHBondContact O-CB 3.38Å; F23-F27 PolarHBondContact O-N 3.41Å
24	C	91.9	Very high	88.5	Confident	71 Å²	71	97 Å²	97	48%	0.48	51%	0.511	S	S	.	.	H	α-helix	trans	-64	-42.9	176.8	-163.6	0	0	0	0	111.6	G20 L21 I22 F27 L28	G20-C24 WeakPolarHBondContact O-CB 3.21Å; G20-C24 PolarHBondContact O-N 3.4Å; L21-C24 PolarHBondContact O-N 2.86Å; I22-C24 VanDerWaalsContact C-N 3.29Å; I22-C24 PolarHBondContact O-N 2.79Å; C24-F27 PolarHBondContact O-N 3.42Å; C24-L28 WeakPolarHBondContact O-CG 3.32Å; C24-L28 PolarHBondContact O-N 2.93Å
25	T	92.6	Very high	88.1	Confident	68 Å²	68	103.3 Å²	103.3	42%	0.417	52%	0.523	S	S	.	.	H	α-helix	trans	-65.4	-39.9	176.2	58.2	0	0	0	0	112.9	L21 I22 L28 L29	L21-T25 WeakPolarHBondContact O-CG2 3.34Å; L21-T25 PolarHBondContact O-N 2.8Å; L21-T25 PolarHBondContact O-OG1 3.27Å; I22-T25 WeakPolarHBondContact CA-OG1 3.32Å; I22-T25 PolarHBondContact O-N 3.34Å; I22-T25 VanDerWaalsContact O-N 3.17Å; I22-T25 PolarHBondContact O-OG1 2.84Å; T25-L28 PolarHBondContact O-N 2.93Å; T25-L29 WeakPolarHBondContact O-CB 3.42Å; T25-L29 WeakPolarHBondContact O-CG 3.48Å; T25-L29 PolarHBondContact O-N 3.17Å
26	I	93.4	Very high	87.4	Confident	79 Å²	79	100.2 Å²	100.2	41%	0.405	51%	0.509	S	S	.	.	H	α-helix	trans	-64	-43.1	175.5	-67.5	169.4	0	0	0	110.2	I22 F23 L29 Q30	I22-I26 HydrophobicContact CG2-CD1 3.79Å; I22-I26 HydrophobicContact CG2-CG1 4.42Å; I22-I26 WeakPolarHBondContact O-CG1 3.31Å; I22-I26 PolarHBondContact O-N 2.89Å; F23-I26 PolarHBondContact O-N 3.28Å; I26-L29 PolarHBondContact O-N 2.89Å; I26-Q30 WeakPolarHBondContact O-CG 3.46Å; I26-Q30 PolarHBondContact O-N 3.4Å
27	F	92.4	Very high	86.3	Confident	123 Å²	123	99.3 Å²	99.3	54%	0.539	50%	0.5	S	S	.	.	H	α-helix	trans	-64.1	-42.4	177.8	-172	-105.8	0	0	0	112.1	F23 C24 Q30 I31	F23-F27 WeakPolarHBondContact O-CB 3.38Å; F23-F27 PolarHBondContact O-N 3.41Å; C24-F27 PolarHBondContact O-N 3.42Å; F27-Q30 PolarHBondContact O-N 2.92Å; F27-I31 HydrophobicContact CD1-CD1 3.71Å; F27-I31 HydrophobicContact CE1-CD1 3.34Å; F27-I31 HydrophobicContact CE1-CG1 4.28Å; F27-I31 HydrophobicContact CZ-CD1 3.9Å; F27-I31 HydrophobicContact CZ-CG1 4.5Å; F27-I31 WeakPolarHBondContact O-CG1 3.34Å; F27-I31 PolarHBondContact O-N 3.34Å
28	L	92.6	Very high	84.8	Confident	104 Å²	104	97.4 Å²	97.4	55%	0.545	50%	0.499	S	S	.	.	H	α-helix	trans	-64.3	-39.3	174.1	-70.7	174.8	0	0	0	112.1	C24 T25 I31 Y32	C24-L28 WeakPolarHBondContact O-CG 3.32Å; C24-L28 PolarHBondContact O-N 2.93Å; T25-L28 PolarHBondContact O-N 2.93Å; L28-I31 PolarHBondContact O-N 3.35Å; L28-Y32 WeakPolarHBondContact O-CB 3.2Å; L28-Y32 PolarHBondContact O-N 3.25Å
29	L	91.6	Very high	82.9	Confident	114 Å²	114	102.7 Å²	102.7	60%	0.597	51%	0.512	S	S	*	.	H	α-helix	trans	-63.9	-39.7	173.2	-85.2	160.2	0	0	0	111.8	T25 I26 Y32 F33	T25-L29 WeakPolarHBondContact O-CB 3.42Å; T25-L29 WeakPolarHBondContact O-CG 3.48Å; T25-L29 PolarHBondContact O-N 3.17Å; I26-L29 PolarHBondContact O-N 2.89Å; L29-Y32 PolarHBondContact O-N 3Å; L29-F33 VanDerWaalsContact O-CB 3.31Å; L29-F33 WeakPolarHBondContact O-CB 3.37Å; L29-F33 PolarHBondContact O-N 2.92Å
30	Q	87.1	Confident	80.7	Confident	121 Å²	121	107.1 Å²	107.1	57%	0.565	52%	0.523	S	S	*	.	H	α-helix	trans	-66	-42.9	174.6	-77.5	-169.1	-22	0	0	112	I26 F27 Y32 F33 M34	I26-Q30 WeakPolarHBondContact O-CG 3.46Å; I26-Q30 PolarHBondContact O-N 3.4Å; F27-Q30 PolarHBondContact O-N 2.92Å; Q30-Y32 VanDerWaalsContact C-N 3.33Å; Q30-Y32 PolarHBondContact O-N 3.49Å; Q30-F33 PolarHBondContact O-N 3.47Å; Q30-M34 WeakPolarHBondContact O-CB 3.25Å; Q30-M34 VanDerWaalsContact O-CG 3.26Å; Q30-M34 WeakPolarHBondContact O-CG 3.28Å; Q30-M34 PolarHBondContact O-N 2.85Å
31	I	85.7	Confident	78.5	Confident	74 Å²	74	108.9 Å²	108.9	38%	0.379	53%	0.525	S	S	.	.	H	α-helix	trans	-61.9	-43.5	173.9	-70.8	171.6	0	0	0	110.7	F27 L28 R35	F27-I31 HydrophobicContact CD1-CD1 3.71Å; F27-I31 HydrophobicContact CE1-CD1 3.34Å; F27-I31 HydrophobicContact CE1-CG1 4.28Å; F27-I31 HydrophobicContact CZ-CD1 3.9Å; F27-I31 HydrophobicContact CZ-CG1 4.5Å; F27-I31 WeakPolarHBondContact O-CG1 3.34Å; F27-I31 PolarHBondContact O-N 3.34Å; L28-I31 PolarHBondContact O-N 3.35Å; I31-R35 WeakPolarHBondContact O-CB 3.29Å; I31-R35 PolarHBondContact O-N 2.9Å
32	Y	88.4	Confident	76	Confident	160 Å²	160	106.6 Å²	106.6	63%	0.627	52%	0.516	S	S	*	.	H	α-helix	trans	-61.2	-48.6	176.4	178	-97.1	0	0	0	110.8	L28 L29 Q30 R35 T36	L28-Y32 WeakPolarHBondContact O-CB 3.2Å; L28-Y32 PolarHBondContact O-N 3.25Å; L29-Y32 PolarHBondContact O-N 3Å; Q30-Y32 VanDerWaalsContact C-N 3.33Å; Q30-Y32 PolarHBondContact O-N 3.49Å; Y32-R35 PolarHBondContact O-N 3Å; Y32-T36 HydrophobicContact CD1-CG2 4.32Å; Y32-T36 HydrophobicContact CE1-CG2 3.85Å; Y32-T36 HydrophobicContact CE2-CG2 4.08Å; Y32-T36 PolarHBondContact O-N 3.22Å; Y32-T36 PolarHBondContact O-OG1 3.4Å
33	F	83.9	Confident	73.3	Confident	136 Å²	136	107.3 Å²	107.3	60%	0.596	52%	0.521	S	S	*	.	H	α-helix	trans	-60.7	-48.6	179.2	-164.5	-97.5	0	0	0	111.1	L29 Q30 R35 T36 T37	L29-F33 VanDerWaalsContact O-CB 3.31Å; L29-F33 WeakPolarHBondContact O-CB 3.37Å; L29-F33 PolarHBondContact O-N 2.92Å; Q30-F33 PolarHBondContact O-N 3.47Å; F33-R35 PolarHBondContact O-N 3.24Å; F33-T36 WeakPolarHBondContact CA-OG1 3.32Å; F33-T36 PolarHBondContact O-N 3.31Å; F33-T36 VanDerWaalsContact O-N 3.16Å; F33-T36 PolarHBondContact O-OG1 3.44Å; F33-T37 HydrophobicContact CD1-CG2 3.79Å; F33-T37 HydrophobicContact CE1-CG2 3.46Å; F33-T37 VanDerWaalsContact CE1-CG2 3.46Å; F33-T37 HydrophobicContact CE2-CG2 4.48Å; F33-T37 HydrophobicContact CG-CG2 4.44Å; F33-T37 HydrophobicContact CZ-CG2 3.85Å; F33-T37 WeakPolarHBondContact O-CG2 3.22Å; F33-T37 PolarHBondContact O-N 3.21Å; F33-T37 PolarHBondContact O-OG1 2.64Å
34	M	75	Confident	70.8	Confident	122 Å²	122	107 Å²	107	60%	0.601	52%	0.521	S	S	*	.	H	α-helix	trans	-59.7	-41.5	175.4	-71.5	-67.1	-84.7	0	0	112	Q30 T37 V38	Q30-M34 WeakPolarHBondContact O-CB 3.25Å; Q30-M34 VanDerWaalsContact O-CG 3.26Å; Q30-M34 WeakPolarHBondContact O-CG 3.28Å; Q30-M34 PolarHBondContact O-N 2.85Å; M34-T37 WeakPolarHBondContact CA-OG1 3.35Å; M34-T37 PolarHBondContact O-OG1 2.71Å; M34-V38 WeakPolarHBondContact O-CB 3.29Å; M34-V38 WeakPolarHBondContact O-CG2 3.29Å; M34-V38 PolarHBondContact O-N 3.01Å
35	R	74.1	Confident	68.4	Low	191 Å²	191	109.7 Å²	109.7	72%	0.721	53%	0.531	S	S	*	.	H	α-helix	trans	-65	-40.9	174.6	-93.2	-174.9	170.4	-176.9	-1.1	112.4	I31 Y32 F33 K39	I31-R35 WeakPolarHBondContact O-CB 3.29Å; I31-R35 PolarHBondContact O-N 2.9Å; Y32-R35 PolarHBondContact O-N 3Å; F33-R35 PolarHBondContact O-N 3.24Å; R35-K39 WeakPolarHBondContact O-CB 3.38Å; R35-K39 PolarHBondContact O-N 2.84Å
36	T	68.3	Low	66	Low	32 Å²	32	112 Å²	112	20%	0.196	54%	0.54	C	S	.	.	H	α-helix	trans	-69.2	-47.3	178	47.9	0	0	0	0	111.2	Y32 F33 K39 Y40	Y32-T36 HydrophobicContact CD1-CG2 4.32Å; Y32-T36 HydrophobicContact CE1-CG2 3.85Å; Y32-T36 HydrophobicContact CE2-CG2 4.08Å; Y32-T36 PolarHBondContact O-N 3.22Å; Y32-T36 PolarHBondContact O-OG1 3.4Å; F33-T36 WeakPolarHBondContact CA-OG1 3.32Å; F33-T36 PolarHBondContact O-N 3.31Å; F33-T36 VanDerWaalsContact O-N 3.16Å; F33-T36 PolarHBondContact O-OG1 3.44Å; T36-K39 PolarHBondContact O-N 3.42Å; T36-Y40 WeakPolarHBondContact O-CB 3.12Å; T36-Y40 WeakPolarHBondContact O-CD2 3.22Å; T36-Y40 PolarHBondContact O-N 2.93Å
37	T	62	Low	63.2	Low	46 Å²	46	112.3 Å²	112.3	28%	0.282	55%	0.546	S	S	.	.	H	α-helix	trans	-64.5	-42.7	178.6	51.8	0	0	0	0	111.2	F33 M34 Y40 V41	F33-T37 HydrophobicContact CD1-CG2 3.79Å; F33-T37 HydrophobicContact CE1-CG2 3.46Å; F33-T37 VanDerWaalsContact CE1-CG2 3.46Å; F33-T37 HydrophobicContact CE2-CG2 4.48Å; F33-T37 HydrophobicContact CG-CG2 4.44Å; F33-T37 HydrophobicContact CZ-CG2 3.85Å; F33-T37 WeakPolarHBondContact O-CG2 3.22Å; F33-T37 PolarHBondContact O-N 3.21Å; F33-T37 PolarHBondContact O-OG1 2.64Å; M34-T37 WeakPolarHBondContact CA-OG1 3.35Å; M34-T37 PolarHBondContact O-OG1 2.71Å; T37-Y40 PolarHBondContact O-N 2.84Å; T37-V41 WeakPolarHBondContact O-CB 3.36Å; T37-V41 WeakPolarHBondContact O-CG2 3.43Å; T37-V41 PolarHBondContact O-N 2.99Å
38	V	54.6	Low	60.7	Low	85 Å²	85	110.3 Å²	110.3	52%	0.515	55%	0.552	S	S	.	*	H	α-helix	trans	-60.2	-49.9	173.3	171.8	0	0	0	0	110.3	M34 Y40 V41 T42	M34-V38 WeakPolarHBondContact O-CB 3.29Å; M34-V38 WeakPolarHBondContact O-CG2 3.29Å; M34-V38 PolarHBondContact O-N 3.01Å; V38-Y40 VanDerWaalsContact C-N 3.32Å; V38-Y40 PolarHBondContact O-N 3.18Å; V38-V41 PolarHBondContact O-N 2.96Å; V38-T42 WeakPolarHBondContact O-CB 3.43Å; V38-T42 PolarHBondContact O-N 2.91Å; V38-T42 PolarHBondContact O-OG1 3.21Å
39	K	48.5	Very low	58.1	Low	163 Å²	163	111.9 Å²	111.9	71%	0.709	56%	0.557	S	S	*	*	H	α-helix	trans	-57.6	-42.4	176.2	-88.7	-171.8	172.8	-174.1	0	112.8	R35 T36 L43	R35-K39 WeakPolarHBondContact O-CB 3.38Å; R35-K39 PolarHBondContact O-N 2.84Å; T36-K39 PolarHBondContact O-N 3.42Å; K39-L43 VanDerWaalsContact O-CB 3.29Å; K39-L43 WeakPolarHBondContact O-CB 3.48Å; K39-L43 PolarHBondContact O-N 3.28Å
40	Y	44.8	Very low	55.5	Low	158 Å²	158	111 Å²	111	62%	0.62	57%	0.566	S	S	*	*	H	α-helix	trans	-70.3	-39.5	179.7	-88.8	-75.6	0	0	0	112.4	T36 T37 V38 L43 Q44	T36-Y40 WeakPolarHBondContact O-CB 3.12Å; T36-Y40 WeakPolarHBondContact O-CD2 3.22Å; T36-Y40 PolarHBondContact O-N 2.93Å; T37-Y40 PolarHBondContact O-N 2.84Å; V38-Y40 VanDerWaalsContact C-N 3.32Å; V38-Y40 PolarHBondContact O-N 3.18Å; Y40-L43 PolarHBondContact O-N 2.89Å; Y40-Q44 WeakPolarHBondContact O-CB 3.41Å; Y40-Q44 PolarHBondContact O-N 3.33Å
41	V	44.7	Very low	53	Low	77 Å²	77	111.1 Å²	111.1	47%	0.467	57%	0.569	S	S	.	*	H	α-helix	trans	-69	-41.1	176.1	172.2	0	0	0	0	110.5	T37 V38 L43 Q44 N45	T37-V41 WeakPolarHBondContact O-CB 3.36Å; T37-V41 WeakPolarHBondContact O-CG2 3.43Å; T37-V41 PolarHBondContact O-N 2.99Å; V38-V41 PolarHBondContact O-N 2.96Å; V41-L43 VanDerWaalsContact C-N 3.31Å; V41-L43 PolarHBondContact O-N 3.31Å; V41-Q44 PolarHBondContact O-N 2.9Å; V41-N45 WeakPolarHBondContact O-CB 3.35Å; V41-N45 PolarHBondContact O-N 2.77Å
42	T	37	Very low	50.8	Low	77 Å²	77	112.6 Å²	112.6	47%	0.472	58%	0.576	S	S	.	*	H	α-helix	trans	-64.4	-37.2	173.1	-45	0	0	0	0	110.9	V38 L46	V38-T42 WeakPolarHBondContact O-CB 3.43Å; V38-T42 PolarHBondContact O-N 2.91Å; V38-T42 PolarHBondContact O-OG1 3.21Å; T42-L46 HydrophobicContact CG2-CD1 3.97Å; T42-L46 WeakPolarHBondContact O-CB 3.26Å; T42-L46 VanDerWaalsContact O-CD1 3.25Å; T42-L46 WeakPolarHBondContact O-CD1 3.37Å; T42-L46 PolarHBondContact O-N 3.42Å
43	L	37.3	Very low	48	Very low	113 Å²	113	108.9 Å²	108.9	59%	0.592	57%	0.572	S	S	*	*	H	α-helix	trans	-70.6	-43.8	175.3	-152.5	85.6	0	0	0	111.9	K39 Y40 V41 L46 T47	K39-L43 VanDerWaalsContact O-CB 3.29Å; K39-L43 WeakPolarHBondContact O-CB 3.48Å; K39-L43 PolarHBondContact O-N 3.28Å; Y40-L43 PolarHBondContact O-N 2.89Å; V41-L43 VanDerWaalsContact C-N 3.31Å; V41-L43 PolarHBondContact O-N 3.31Å; L43-L46 PolarHBondContact O-N 3.47Å; L43-T47 VanDerWaalsContact O-CG2 3.29Å; L43-T47 WeakPolarHBondContact O-CG2 3.44Å; L43-T47 PolarHBondContact O-N 2.8Å; L43-T47 PolarHBondContact O-OG1 2.82Å
44	Q	40.5	Very low	45.7	Very low	133 Å²	133	108 Å²	108	62%	0.621	58%	0.583	S	S	*	*	H	α-helix	trans	-68.5	-39	-178.1	-90.5	-174.4	-32.3	0	0	112.9	Y40 V41 L46 T47 A48	Y40-Q44 WeakPolarHBondContact O-CB 3.41Å; Y40-Q44 PolarHBondContact O-N 3.33Å; V41-Q44 PolarHBondContact O-N 2.9Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.3Å; Q44-T47 VanDerWaalsContact CA-OG1 3.29Å; Q44-T47 WeakPolarHBondContact CA-OG1 3.44Å; Q44-T47 PolarHBondContact O-N 3.33Å; Q44-T47 PolarHBondContact O-OG1 3.28Å; Q44-A48 PolarHBondContact O-N 2.96Å
45	N	42.6	Very low	43.7	Very low	127 Å²	127	109.7 Å²	109.7	68%	0.679	59%	0.594	S	S	*	*	H	α-helix	trans	-72.1	-24.3	175.9	-75.8	-6.7	0	0	0	112.7	V41	V41-N45 WeakPolarHBondContact O-CB 3.35Å; V41-N45 PolarHBondContact O-N 2.77Å
46	L	41.3	Very low	41.7	Very low	116 Å²	116	103.7 Å²	103.7	61%	0.607	58%	0.579	S	S	*	*	H	α-helix	trans	-85.4	-19.5	170.6	-93.2	128.2	0	0	0	113.5	T42 L43 Q44 A48 E49	T42-L46 HydrophobicContact CG2-CD1 3.97Å; T42-L46 WeakPolarHBondContact O-CB 3.26Å; T42-L46 VanDerWaalsContact O-CD1 3.25Å; T42-L46 WeakPolarHBondContact O-CD1 3.37Å; T42-L46 PolarHBondContact O-N 3.42Å; L43-L46 PolarHBondContact O-N 3.47Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.3Å; L46-A48 VanDerWaalsContact C-N 3.3Å; L46-E49 VanDerWaalsContact O-CG 3.25Å; L46-E49 WeakPolarHBondContact O-CG 3.14Å; L46-E49 PolarHBondContact O-N 2.89Å; L46-E49 VanDerWaalsContact O-N 3.07Å
47	T	35.4	Very low	40.1	Very low	86 Å²	86	106.9 Å²	106.9	53%	0.528	60%	0.598	S	S	.	*	H	α-helix	trans	-83.1	-2.7	172.6	54.7	0	0	0	0	114.1	L43 Q44 E49	L43-T47 VanDerWaalsContact O-CG2 3.29Å; L43-T47 WeakPolarHBondContact O-CG2 3.44Å; L43-T47 PolarHBondContact O-N 2.8Å; L43-T47 PolarHBondContact O-OG1 2.82Å; Q44-T47 VanDerWaalsContact CA-OG1 3.29Å; Q44-T47 WeakPolarHBondContact CA-OG1 3.44Å; Q44-T47 PolarHBondContact O-N 3.33Å; Q44-T47 PolarHBondContact O-OG1 3.28Å; T47-E49 PolarHBondContact O-N 3.29Å
48	A	39.1	Very low	39.2	Very low	81 Å²	81	111.4 Å²	111.4	67%	0.669	63%	0.629	S	S	*	*	S	Bend	trans	-72.8	51	143.1	0	0	0	0	0	108.5	Q44 L46 A50	Q44-A48 PolarHBondContact O-N 2.96Å; L46-A48 VanDerWaalsContact C-N 3.3Å; A48-A50 PolarHBondContact O-N 2.78Å; A48-A50 VanDerWaalsContact O-N 3.13Å
49	E	37.5	Very low	38.7	Very low	138 Å²	138	114 Å²	114	65%	0.645	64%	0.64	S	S	*	*			trans	-50.9	126.1	157.2	-72.6	-178.5	154.4	0	0	103.2	L46 T47 I51	L46-E49 VanDerWaalsContact O-CG 3.25Å; L46-E49 WeakPolarHBondContact O-CG 3.14Å; L46-E49 PolarHBondContact O-N 2.89Å; L46-E49 VanDerWaalsContact O-N 3.07Å; T47-E49 PolarHBondContact O-N 3.29Å; E49-I51 HydrophobicContact CB-CG1 3.94Å; E49-I51 PolarHBondContact O-N 3.16Å
50	A	38	Very low	38.9	Very low	96 Å²	96	109.9 Å²	109.9	79%	0.793	63%	0.628	S	S	*	*			trans	-50.1	86.2	139.8	0	0	0	0	0	105.2	A48 I52	A48-A50 PolarHBondContact O-N 2.78Å; A48-A50 VanDerWaalsContact O-N 3.13Å; A50-I52 PolarHBondContact O-N 3.42Å
51	I	33.6	Very low	39.9	Very low	122 Å²	122	107.8 Å²	107.8	63%	0.626	64%	0.635	S	S	*	*			trans	-63.3	93.6	171	-66.4	172.7	0	0	0	101.8	E49 P53	E49-I51 HydrophobicContact CB-CG1 3.94Å; E49-I51 PolarHBondContact O-N 3.16Å; I51-P53 WeakPolarHBondContact O-CD 3.43Å
52	I	40	Very low	41.9	Very low	105 Å²	105	106.9 Å²	106.9	54%	0.538	63%	0.625	S	S	.	*			trans	-54.5	112.3	162.3	-61.2	179.1	0	0	0	103.2	A50 S54	A50-I52 PolarHBondContact O-N 3.42Å; I52-S54 PolarHBondContact O-N 2.87Å
53	P	29.9	Very low	44.5	Very low	83 Å²	83	104.3 Å²	104.3	54%	0.539	61%	0.607	S	S	.	*			trans	-61.7	117.4	-173	-13.4	24.8	0	0	0	107.5	I51 N55 T56	I51-P53 WeakPolarHBondContact O-CD 3.43Å; P53-N55 PolarHBondContact O-N 3.19Å; P53-T56 PolarHBondContact O-N 2.96Å; P53-T56 PolarHBondContact O-OG1 2.83Å
54	S	36	Very low	47.2	Very low	117 Å²	117	99.7 Å²	99.7	82%	0.818	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	3.7	-179.6	48.2	0	0	0	0	114	I52	I52-S54 PolarHBondContact O-N 2.87Å
55	N	32.2	Very low	49.8	Very low	157 Å²	157	93.5 Å²	93.5	84%	0.84	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.4	20.2	177.1	-80.9	-8.1	0	0	0	113.6	P53	P53-N55 PolarHBondContact O-N 3.19Å
56	T	32	Very low	52.3	Low	65 Å²	65	91.3 Å²	91.3	40%	0.399	54%	0.538	S	S	.	.	S	Bend	trans	-88	124.1	172.3	-28.5	0	0	0	0	107.8	P53 V60	P53-T56 PolarHBondContact O-N 2.96Å; P53-T56 PolarHBondContact O-OG1 2.83Å; T56-V60 HydrophobicContact CG2-CG2 3.74Å
57	T	34.2	Very low	54.8	Low	99 Å²	99	88 Å²	88	61%	0.607	52%	0.523	S	S	*	.			trans	-42.6	148.4	176.3	43.3	0	0	0	0	111.8	D59 V60	T57-D59 CarbonylContact O-C 3.4Å; T57-D59 PolarHBondContact O-N 2.92Å; T57-V60 WeakPolarHBondContact O-CG2 3.49Å; T57-V60 PolarHBondContact O-N 2.93Å
58	P	44.1	Very low	57.6	Low	142 Å²	142	84.1 Å²	84.1	92%	0.922	50%	0.498	S	S	*	.	S	Bend	trans	-55.5	-16.8	-175.5	-23.1	32.2	0	0	0	114.8	V60	P58-V60 PolarHBondContact O-N 2.94Å
59	D	43.7	Very low	60.2	Low	139 Å²	139	80.2 Å²	80.2	74%	0.743	47%	0.466	S	S	*	.			trans	-87.1	48.9	169.1	-134.4	-0.7	0	0	0	111.5	T57 C61	T57-D59 CarbonylContact O-C 3.4Å; T57-D59 PolarHBondContact O-N 2.92Å; D59-C61 VanDerWaalsContact C-N 3.3Å; D59-C61 PolarHBondContact O-N 3.39Å
60	V	52.4	Low	62.8	Low	76 Å²	76	79.9 Å²	79.9	46%	0.461	46%	0.463	S	S	.	.			trans	-63.5	98.6	166.2	-179.7	0	0	0	0	105.5	T56 T57 P58 K62	T56-V60 HydrophobicContact CG2-CG2 3.74Å; T57-V60 WeakPolarHBondContact O-CG2 3.49Å; T57-V60 PolarHBondContact O-N 2.93Å; P58-V60 PolarHBondContact O-N 2.94Å; V60-K62 PolarHBondContact O-N 3.45Å
61	C	66.2	Low	65.3	Low	114 Å²	114	81.4 Å²	81.4	77%	0.77	46%	0.457	S	S	*	.			trans	-36.4	100.1	-172	-98.6	0	0	0	0	111	D59 Q63	D59-C61 VanDerWaalsContact C-N 3.3Å; D59-C61 PolarHBondContact O-N 3.39Å; C61-Q63 PolarHBondContact O-N 3.28Å
62	K	86.6	Confident	68	Low	59 Å²	59	76.7 Å²	76.7	26%	0.257	43%	0.433	S	S	.	.			trans	-49.5	116.3	171.2	-174.6	-170.5	-170.2	-162.6	0	106.5	V60 T64 R190 F193 D194	V60-K62 PolarHBondContact O-N 3.45Å; K62-T64 PolarHBondContact O-N 3.12Å; K62-R190 WeakPolarHBondContact CE-O 3.38Å; K62-R190 VanDerWaalsContact NZ-CZ 3.26Å; K62-F193 VanDerWaalsContact CE-C 3.46Å; K62-F193 WeakPolarHBondContact CE-O 3.34Å; K62-D194 HydrophobicContact CD-CB 4.01Å; K62-D194 VanDerWaalsContact CE-CA 3.4Å; K62-D194 HydrophobicContact CG-CB 4.33Å; K62-D194 IonicContact NZ-OD1 3.64Å; K62-D194 PolarHBondContact NZ-OD1 2.9Å
63	Q	91.8	Very high	70.3	Confident	22 Å²	22	78.6 Å²	78.6	10%	0.103	45%	0.445	C	S	.	.	B	Isolated β-bridge	trans	-64.4	137.2	-175.9	-173.7	-174.2	45.1	0	0	108.6	C61 T67 I68 D112 S114 R192 F193 D194	C61-Q63 PolarHBondContact O-N 3.28Å; Q63-T67 WeakPolarHBondContact CG-OG1 3.38Å; Q63-I68 HydrophobicContact CG-CD1 4.14Å; Q63-I68 HydrophobicContact CG-CG1 3.68Å; Q63-D112 PolarHBondContact NE2-OD2 3.44Å; Q63-D112 PolarHBondContact OE1-OD2 3.46Å; Q63-S114 PolarHBondContact OE1-OG 3.04Å; Q63-R192 WeakPolarHBondContact CB-O 3.41Å; Q63-R192 PolarHBondContact N-O 3.05Å; Q63-F193 HydrophobicContact CB-CD2 4.27Å; Q63-F193 HydrophobicContact CG-CD2 4.47Å; Q63-F193 CarbonylContact O-C 3.19Å; Q63-F193 WeakPolarHBondContact O-CA 3.49Å; Q63-F193 WeakPolarHBondContact O-CD2 3.29Å; Q63-D194 PolarHBondContact O-N 2.84Å
64	T	94.3	Very high	73.1	Confident	17 Å²	17	76.5 Å²	76.5	10%	0.104	43%	0.432	C	S	.	.			trans	-117.1	162.6	174.8	60.8	0	0	0	0	109.5	K62 R66 T67 I68 Q129 D194	K62-T64 PolarHBondContact O-N 3.12Å; T64-R66 PolarHBondContact O-N 3.44Å; T64-T67 PolarHBondContact N-OG1 3.28Å; T64-T67 PolarHBondContact O-N 3.41Å; T64-T67 PolarHBondContact O-OG1 3.4Å; T64-T67 WeakPolarHBondContact OG1-CG2 3.42Å; T64-T67 PolarHBondContact OG1-N 2.91Å; T64-T67 VanDerWaalsContact OG1-N 3.1Å; T64-T67 PolarHBondContact OG1-OG1 2.99Å; T64-I68 WeakPolarHBondContact O-CG1 3.4Å; T64-I68 PolarHBondContact O-N 3.48Å; T64-Q129 CarbonylContact C-O 3.58Å; T64-Q129 WeakPolarHBondContact CA-O 3.36Å; T64-Q129 VanDerWaalsContact CB-O 3.28Å; T64-Q129 WeakPolarHBondContact CB-O 3.5Å; T64-Q129 HydrophobicContact CG2-CB 4.27Å; T64-D194 HydrophobicContact CG2-CB 3.9Å
65	C	95.3	Very high	75.6	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.014	39%	0.394	C	S	.	.	H	α-helix	trans	-56.4	-35.4	171	-64.9	0	0	0	0	112.3	T67 I68 C69 V127 L128 Q129 S130 G131 C162	C65-T67 PolarHBondContact O-N 3.4Å; C65-I68 PolarHBondContact O-N 3.5Å; C65-C69 WeakPolarHBondContact O-CB 3.36Å; C65-C69 PolarHBondContact O-N 3.36Å; C65-V127 HydrophobicContact CB-CG1 3.88Å; C65-L128 VanDerWaalsContact CB-O 3.25Å; C65-L128 WeakPolarHBondContact CB-O 3.48Å; C65-Q129 PolarHBondContact N-O 2.9Å; C65-S130 VanDerWaalsContact SG-C 3.6Å; C65-G131 WeakPolarHBondContact SG-CA 3.4Å; C65-G131 PolarHBondContact SG-N 3.05Å; C65-C162 WeakPolarHBondContact CA-SG 3.36Å; C65-C162 HydrophobicContact CB-CB 3.76Å; C65-C162 WeakPolarHBondContact CB-SG 3.5Å; C65-C162 WeakPolarHBondContact SG-CB 3.33Å; C65-C162 CovalentContact SG-SG 2.01Å; C65-C162 PolarHBondContact SG-SG 3.49Å
66	R	94.8	Very high	78.2	Confident	81 Å²	81	65.7 Å²	65.7	31%	0.306	37%	0.368	S	S	.	.	H	α-helix	trans	-61.2	-42.1	172	-177.8	172.1	-58	171.6	3.1	112.9	T64 K70 C124 S125 V127	T64-R66 PolarHBondContact O-N 3.44Å; R66-K70 WeakPolarHBondContact O-CG 3.21Å; R66-K70 PolarHBondContact O-N 2.95Å; R66-C124 WeakPolarHBondContact CG-O 3.25Å; R66-S125 VanDerWaalsContact CZ-O 3.27Å; R66-S125 PolarHBondContact NH2-O 3.2Å; R66-V127 PolarHBondContact NE-O 2.99Å; R66-V127 PolarHBondContact NH2-O 3.4Å
67	T	93.8	Very high	80.8	Confident	48 Å²	48	66.8 Å²	66.8	29%	0.294	38%	0.378	S	S	.	.	H	α-helix	trans	-70.3	-36.3	175.2	57.6	0	0	0	0	112.3	Q63 T64 C65 K70 N71	Q63-T67 WeakPolarHBondContact CG-OG1 3.38Å; T64-T67 PolarHBondContact N-OG1 3.28Å; T64-T67 PolarHBondContact O-N 3.41Å; T64-T67 PolarHBondContact O-OG1 3.4Å; T64-T67 WeakPolarHBondContact OG1-CG2 3.42Å; T64-T67 PolarHBondContact OG1-N 2.91Å; T64-T67 VanDerWaalsContact OG1-N 3.1Å; T64-T67 PolarHBondContact OG1-OG1 2.99Å; C65-T67 PolarHBondContact O-N 3.4Å; T67-K70 PolarHBondContact O-N 3.45Å; T67-N71 VanDerWaalsContact O-CG 3.3Å; T67-N71 PolarHBondContact O-N 3.01Å; T67-N71 PolarHBondContact O-ND2 3.42Å
68	I	93.8	Very high	83.2	Confident	3 Å²	3	67 Å²	67	2%	0.015	38%	0.383	C	S	.	.	H	α-helix	trans	-61.6	-50.4	174.4	-64.1	164.6	0	0	0	109.4	Q63 T64 C65 K70 N71 I72 M116 F193	Q63-I68 HydrophobicContact CG-CD1 4.14Å; Q63-I68 HydrophobicContact CG-CG1 3.68Å; T64-I68 WeakPolarHBondContact O-CG1 3.4Å; T64-I68 PolarHBondContact O-N 3.48Å; C65-I68 PolarHBondContact O-N 3.5Å; I68-K70 PolarHBondContact O-N 2.81Å; I68-K70 VanDerWaalsContact O-N 3.15Å; I68-N71 PolarHBondContact O-N 3.09Å; I68-I72 HydrophobicContact CG2-CD1 4.34Å; I68-I72 HydrophobicContact CG2-CG2 3.97Å; I68-I72 WeakPolarHBondContact O-CG1 3.41Å; I68-I72 WeakPolarHBondContact O-CG2 3.27Å; I68-I72 PolarHBondContact O-N 3.43Å; I68-I72 VanDerWaalsContact O-N 3.07Å; I68-M116 HydrophobicContact CG2-CB 4.4Å; I68-M116 HydrophobicContact CG2-CG 3.99Å; I68-F193 HydrophobicContact CD1-CD2 4.35Å; I68-F193 HydrophobicContact CD1-CE2 3.6Å; I68-F193 HydrophobicContact CD1-CZ 4.31Å
69	C	94.6	Very high	85	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-50	-42.1	176.6	-176.3	0	0	0	0	112.9	C65 N71 M116 K118 C124 V127	C65-C69 WeakPolarHBondContact O-CB 3.36Å; C65-C69 PolarHBondContact O-N 3.36Å; C69-N71 VanDerWaalsContact C-N 3.32Å; C69-N71 PolarHBondContact O-N 3.45Å; C69-M116 HydrophobicContact CB-CE 4.4Å; C69-M116 HydrophobicContact CB-SD 3.51Å; C69-M116 VanDerWaalsContact CB-SD 3.51Å; C69-K118 VanDerWaalsContact O-CD 3.3Å; C69-K118 WeakPolarHBondContact O-CD 3.23Å; C69-K118 WeakPolarHBondContact O-CE 3.37Å; C69-K118 PolarHBondContact O-NZ 2.91Å; C69-C124 HydrophobicContact CB-CB 3.66Å; C69-C124 WeakPolarHBondContact CB-SG 3.44Å; C69-C124 PolarHBondContact O-SG 3.01Å; C69-C124 VanDerWaalsContact O-SG 3.38Å; C69-C124 WeakPolarHBondContact SG-CA 3.17Å; C69-C124 WeakPolarHBondContact SG-CB 3.15Å; C69-C124 CovalentContact SG-SG 2.04Å; C69-C124 PolarHBondContact SG-SG 2.89Å; C69-V127 HydrophobicContact CB-CG2 4.31Å
70	K	92.6	Very high	87	Confident	131 Å²	131	60.3 Å²	60.3	57%	0.57	34%	0.336	S	S	*	.	H	α-helix	trans	-69.4	-30.3	-179.8	-71.3	176.9	-179.5	-174.5	0	112.9	R66 T67 I68 C124	R66-K70 WeakPolarHBondContact O-CG 3.21Å; R66-K70 PolarHBondContact O-N 2.95Å; T67-K70 PolarHBondContact O-N 3.45Å; I68-K70 PolarHBondContact O-N 2.81Å; I68-K70 VanDerWaalsContact O-N 3.15Å; K70-C124 HydrophobicContact CG-CB 3.91Å
71	N	89.8	Confident	88.5	Confident	127 Å²	127	61.8 Å²	61.8	68%	0.679	34%	0.341	S	S	*	.	H	α-helix	trans	-98.3	-10.2	-170.8	-66.5	-14.7	0	0	0	114.2	T67 I68 C69	T67-N71 VanDerWaalsContact O-CG 3.3Å; T67-N71 PolarHBondContact O-N 3.01Å; T67-N71 PolarHBondContact O-ND2 3.42Å; I68-N71 PolarHBondContact O-N 3.09Å; C69-N71 VanDerWaalsContact C-N 3.32Å; C69-N71 PolarHBondContact O-N 3.45Å
72	I	89.8	Confident	89.1	Confident	24 Å²	24	57.7 Å²	57.7	12%	0.123	32%	0.318	C	S	.	.	S	Bend	trans	-101.4	151.9	177.5	68.3	174.6	0	0	0	111.8	I68 M116 K118	I68-I72 HydrophobicContact CG2-CD1 4.34Å; I68-I72 HydrophobicContact CG2-CG2 3.97Å; I68-I72 WeakPolarHBondContact O-CG1 3.41Å; I68-I72 WeakPolarHBondContact O-CG2 3.27Å; I68-I72 PolarHBondContact O-N 3.43Å; I68-I72 VanDerWaalsContact O-N 3.07Å; I72-M116 HydrophobicContact CD1-CG 3.6Å; I72-M116 WeakPolarHBondContact CD1-O 3.32Å; I72-K118 HydrophobicContact CD1-CB 3.97Å; I72-K118 HydrophobicContact CG1-CB 4.25Å; I72-K118 HydrophobicContact CG1-CD 3.92Å; I72-K118 WeakPolarHBondContact O-CD 3.48Å; I72-K118 PolarHBondContact O-NZ 3.16Å
73	D	88.2	Confident	89.1	Confident	145 Å²	145	54.9 Å²	54.9	78%	0.775	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-71.6	149.4	169.6	-65.7	-37.5	0	0	0	110.8
74	S	90.1	Very high	88.7	Confident	39 Å²	39	59.6 Å²	59.6	27%	0.273	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-70	144.1	172.6	49.5	0	0	0	0	111	P76 K118	S74-P76 WeakPolarHBondContact O-CD 3.35Å; S74-K118 CarbonylContact C-O 3.59Å; S74-K118 VanDerWaalsContact CA-O 3.25Å; S74-K118 WeakPolarHBondContact CA-O 3.37Å
75	V	88.2	Confident	88.2	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.024	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-66.8	122	170.5	-179.9	0	0	0	0	108.2	S77 K79 V80 L83 Y107 F117 K118	V75-S77 PolarHBondContact O-N 2.89Å; V75-K79 HydrophobicContact CG1-CB 4.15Å; V75-V80 HydrophobicContact CG1-CG2 3.99Å; V75-L83 HydrophobicContact CG1-CD1 3.95Å; V75-L83 HydrophobicContact CG2-CD1 4.05Å; V75-Y107 HydrophobicContact CB-CD2 4.44Å; V75-Y107 HydrophobicContact CG1-CD2 4.04Å; V75-Y107 HydrophobicContact CG1-CE2 3.88Å; V75-Y107 HydrophobicContact CG2-CD2 4Å; V75-Y107 HydrophobicContact CG2-CG 4.42Å; V75-F117 HydrophobicContact CB-CE2 4.06Å; V75-F117 HydrophobicContact CG1-CE2 4.35Å; V75-F117 HydrophobicContact CG2-CD2 3.98Å; V75-F117 HydrophobicContact CG2-CE2 3.98Å; V75-K118 PolarHBondContact N-O 2.97Å
76	P	87	Confident	87.6	Confident	43 Å²	43	68.3 Å²	68.3	28%	0.279	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-59.3	140.5	177.6	-23.5	34.1	0	0	0	111	S74 S78 K79 V80 Y107	S74-P76 WeakPolarHBondContact O-CD 3.35Å; P76-S78 PolarHBondContact O-N 3.25Å; P76-K79 PolarHBondContact O-N 2.77Å; P76-V80 PolarHBondContact O-N 3.38Å; P76-Y107 WeakPolarHBondContact CD-OH 3.23Å; P76-Y107 HydrophobicContact CG-CE1 4.45Å; P76-Y107 WeakPolarHBondContact CG-OH 3.31Å
77	S	85.8	Confident	87	Confident	88 Å²	88	64.9 Å²	64.9	62%	0.615	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-32.7	-179.6	-62.2	0	0	0	0	113.8	V75 K79 E120	V75-S77 PolarHBondContact O-N 2.89Å; S77-K79 VanDerWaalsContact C-N 3.26Å; S77-K79 PolarHBondContact O-N 3.33Å; S77-E120 PolarHBondContact N-OE1 3.29Å; S77-E120 PolarHBondContact OG-OE1 2.87Å
78	S	84.4	Confident	86.2	Confident	103 Å²	103	68 Å²	68	72%	0.72	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-18.5	177.5	61.9	0	0	0	0	114.7	P76	P76-S78 PolarHBondContact O-N 3.25Å
79	K	82.3	Confident	85.2	Confident	106 Å²	106	69.1 Å²	69.1	46%	0.461	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-15	-174.3	-66.8	-75.2	-176.2	171.5	0	113.4	V75 P76 S77 N81 G82 Y107	V75-K79 HydrophobicContact CG1-CB 4.15Å; P76-K79 PolarHBondContact O-N 2.77Å; S77-K79 VanDerWaalsContact C-N 3.26Å; S77-K79 PolarHBondContact O-N 3.33Å; K79-N81 PolarHBondContact O-N 2.71Å; K79-N81 VanDerWaalsContact O-N 3.17Å; K79-G82 PolarHBondContact O-N 3.13Å; K79-Y107 HydrophobicContact CB-CE2 4.01Å; K79-Y107 HydrophobicContact CG-CE2 4.33Å
80	V	84.9	Confident	83.9	Confident	34 Å²	34	73.9 Å²	73.9	21%	0.206	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-54.3	-37	178.7	177.6	0	0	0	0	112.1	V75 P76 G82 L83 F117	V75-V80 HydrophobicContact CG1-CG2 3.99Å; P76-V80 PolarHBondContact O-N 3.38Å; V80-G82 PolarHBondContact O-N 3.13Å; V80-L83 PolarHBondContact O-N 2.77Å; V80-F117 HydrophobicContact CG1-CE2 4.44Å; V80-F117 HydrophobicContact CG1-CZ 4.02Å; V80-F117 HydrophobicContact CG2-CE2 4.43Å; V80-F117 HydrophobicContact CG2-CZ 4.25Å
81	N	83.5	Confident	82.5	Confident	107 Å²	107	69.1 Å²	69.1	57%	0.572	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-60.6	-29.6	176.9	-86.5	-23.8	0	0	0	113.9	K79 L83 K84	K79-N81 PolarHBondContact O-N 2.71Å; K79-N81 VanDerWaalsContact O-N 3.17Å; N81-L83 PolarHBondContact O-N 3.07Å; N81-K84 PolarHBondContact O-N 3.39Å; N81-K84 VanDerWaalsContact OD1-CE 3.22Å; N81-K84 WeakPolarHBondContact OD1-CE 3.3Å; N81-K84 PolarHBondContact OD1-NZ 2.66Å
82	G	80.3	Confident	81	Confident	28 Å²	28	69.2 Å²	69.2	29%	0.289	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-71.6	-15.9	176.5	0	0	0	0	0	113.6	K79 V80 F106	K79-G82 PolarHBondContact O-N 3.13Å; V80-G82 PolarHBondContact O-N 3.13Å; G82-F106 WeakPolarHBondContact O-CE2 3.24Å; G82-F106 VanDerWaalsContact O-CZ 3.28Å; G82-F106 WeakPolarHBondContact O-CZ 2.97Å
83	L	85.2	Confident	79.3	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.005	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-93.3	3.8	177.3	-66	173.9	0	0	0	113.3	V75 V80 N81 F106 F117 Q157 R158	V75-L83 HydrophobicContact CG1-CD1 3.95Å; V75-L83 HydrophobicContact CG2-CD1 4.05Å; V80-L83 PolarHBondContact O-N 2.77Å; N81-L83 PolarHBondContact O-N 3.07Å; L83-F106 HydrophobicContact CD2-CB 4.22Å; L83-F106 HydrophobicContact CD2-CD2 3.61Å; L83-F106 HydrophobicContact CD2-CE2 4.33Å; L83-F106 HydrophobicContact CD2-CG 4.2Å; L83-F106 HydrophobicContact CG-CD2 4.48Å; L83-F117 HydrophobicContact CD1-CD2 3.74Å; L83-F117 HydrophobicContact CD1-CE2 3.73Å; L83-Q157 HydrophobicContact CD2-CB 3.96Å; L83-R158 VanDerWaalsContact O-CA 3.25Å; L83-R158 WeakPolarHBondContact O-CA 3.28Å; L83-R158 WeakPolarHBondContact O-CG 3.4Å
84	K	85.1	Confident	77.8	Confident	121 Å²	121	67 Å²	67	53%	0.526	38%	0.382	S	S	.	.	S	Bend	trans	-68.1	141.6	175.3	-74	177.3	170.6	170.4	0	111	N81 M86 R158	N81-K84 PolarHBondContact O-N 3.39Å; N81-K84 VanDerWaalsContact OD1-CE 3.22Å; N81-K84 WeakPolarHBondContact OD1-CE 3.3Å; N81-K84 PolarHBondContact OD1-NZ 2.66Å; K84-M86 PolarHBondContact O-N 3.49Å; K84-R158 VanDerWaalsContact O-CD 3.26Å; K84-R158 WeakPolarHBondContact O-CD 3.13Å
85	P	83.8	Confident	76.4	Confident	92 Å²	92	65.7 Å²	65.7	60%	0.597	37%	0.372	S	S	*	.			trans	-52.7	132.6	171.8	-26	34	0	0	0	111.4
86	M	82.3	Confident	74.5	Confident	109 Å²	109	69.1 Å²	69.1	54%	0.537	39%	0.39	S	S	.	.			trans	-103.9	-14.6	-177.8	-63.7	-176.3	68.6	0	0	112.6	K84 P90 D210	K84-M86 PolarHBondContact O-N 3.49Å; M86-P90 HydrophobicContact CE-CG 3.96Å; M86-D210 PolarHBondContact N-OD1 2.56Å; M86-D210 PolarHBondContact N-OD2 3.35Å
87	G	81.7	Confident	72.5	Confident	9 Å²	9	74.9 Å²	74.9	9%	0.093	41%	0.413	C	S	.	.	S	Bend	trans	76.6	-129.2	-166.9	0	0	0	0	0	111.9	M89 D209 D210	G87-M89 PolarHBondContact O-N 3.29Å; G87-D209 VanDerWaalsContact C-OD1 3.23Å; G87-D209 WeakPolarHBondContact O-CA 3.38Å; G87-D210 VanDerWaalsContact CA-OD1 3.24Å; G87-D210 WeakPolarHBondContact CA-OD1 3.16Å; G87-D210 PolarHBondContact N-OD1 2.78Å; G87-D210 PolarHBondContact O-N 3.18Å
88	K	76.5	Confident	70.4	Confident	113 Å²	113	79.1 Å²	79.1	49%	0.491	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-64.9	123.2	175.4	-67.4	-176.9	-179.2	-180	0	109.1	D209	K88-D209 WeakPolarHBondContact CG-OD2 3.45Å
89	M	74.2	Confident	68.5	Low	27 Å²	27	76 Å²	76	13%	0.133	40%	0.398	C	S	.	.			trans	-60	136.6	176.5	-69.2	-151	-162.2	0	0	110.2	G87 F91 S151 V155 P207 L208	G87-M89 PolarHBondContact O-N 3.29Å; M89-F91 PolarHBondContact O-N 2.83Å; M89-S151 WeakPolarHBondContact CE-O 3.3Å; M89-V155 HydrophobicContact CE-CB 4.43Å; M89-V155 HydrophobicContact CE-CG2 3.07Å; M89-P207 WeakPolarHBondContact CE-O 3.29Å; M89-L208 PolarHBondContact N-O 2.79Å
90	P	66.3	Low	66.6	Low	101 Å²	101	76.4 Å²	76.4	66%	0.656	41%	0.405	S	S	*	.			trans	-75.9	71.4	175.1	32.8	-33.8	0	0	0	108.9	M86	M86-P90 HydrophobicContact CE-CG 3.96Å
91	F	64.3	Low	64.8	Low	31 Å²	31	77 Å²	77	14%	0.136	41%	0.407	C	S	.	.			trans	-83	125.4	176.1	-169	-98.8	0	0	0	109.1	M89 G93 F95 L235 L239	M89-F91 PolarHBondContact O-N 2.83Å; F91-G93 VanDerWaalsContact CD1-N 3.27Å; F91-F95 HydrophobicContact CD2-CE2 4.21Å; F91-F95 HydrophobicContact CE1-CD2 4.43Å; F91-F95 AromaticContact CE2-CD2 3.38Å; F91-F95 HydrophobicContact CE2-CD2 3.38Å; F91-F95 AromaticContact CE2-CE2 3.41Å; F91-F95 HydrophobicContact CE2-CE2 3.41Å; F91-F95 VanDerWaalsContact CE2-CE2 3.41Å; F91-F95 HydrophobicContact CE2-CG 4.22Å; F91-F95 HydrophobicContact CE2-CZ 4.3Å; F91-F95 AromaticContact CZ-CD2 3.34Å; F91-F95 HydrophobicContact CZ-CD2 3.34Å; F91-F95 AromaticContact CZ-CE2 3.77Å; F91-F95 HydrophobicContact CZ-CE2 3.77Å; F91-F95 HydrophobicContact CZ-CG 4.24Å; F91-L235 HydrophobicContact CB-CD1 4.28Å; F91-L235 WeakPolarHBondContact O-CD1 3.23Å; F91-L239 HydrophobicContact CD1-CB 3.91Å; F91-L239 HydrophobicContact CD1-CD1 3.93Å; F91-L239 HydrophobicContact CD1-CD2 3.99Å; F91-L239 HydrophobicContact CD1-CG 4.14Å; F91-L239 HydrophobicContact CE1-CB 3.76Å; F91-L239 HydrophobicContact CE1-CD1 3.06Å; F91-L239 HydrophobicContact CE1-CD2 3.95Å; F91-L239 HydrophobicContact CE1-CG 3.74Å; F91-L239 HydrophobicContact CE2-CD1 4.23Å; F91-L239 HydrophobicContact CG-CD2 4.44Å; F91-L239 HydrophobicContact CZ-CD1 3.28Å; F91-L239 HydrophobicContact CZ-CD2 4.37Å; F91-L239 HydrophobicContact CZ-CG 4.32Å
92	T	58	Low	62.9	Low	129 Å²	129	75 Å²	75	79%	0.791	40%	0.395	S	S	*	.			trans	-88.1	-5.4	-176	51.8	0	0	0	0	113.6
93	G	54.2	Low	61	Low	10 Å²	10	80.2 Å²	80.2	10%	0.103	42%	0.417	C	S	.	.	S	Bend	trans	107.4	-13.7	-176.3	0	0	0	0	0	113.7	F91 N242	F91-G93 VanDerWaalsContact CD1-N 3.27Å; G93-N242 WeakPolarHBondContact O-CB 3.26Å; G93-N242 PolarHBondContact O-ND2 3.4Å
94	E	56.8	Low	59	Low	111 Å²	111	86.2 Å²	86.2	52%	0.519	45%	0.449	S	S	.	.			trans	-114.1	112.5	-175.1	-83	-177.1	161.9	0	0	112.7
95	F	59	Low	57.4	Low	12 Å²	12	80.9 Å²	80.9	5%	0.053	43%	0.427	C	S	.	.			trans	-86.7	94.6	159.1	-101.1	-89.3	0	0	0	107.7	F91 M99 N147 I206 L239 L243 K246	F91-F95 HydrophobicContact CD2-CE2 4.21Å; F91-F95 HydrophobicContact CE1-CD2 4.43Å; F91-F95 AromaticContact CE2-CD2 3.38Å; F91-F95 HydrophobicContact CE2-CD2 3.38Å; F91-F95 AromaticContact CE2-CE2 3.41Å; F91-F95 HydrophobicContact CE2-CE2 3.41Å; F91-F95 VanDerWaalsContact CE2-CE2 3.41Å; F91-F95 HydrophobicContact CE2-CG 4.22Å; F91-F95 HydrophobicContact CE2-CZ 4.3Å; F91-F95 AromaticContact CZ-CD2 3.34Å; F91-F95 HydrophobicContact CZ-CD2 3.34Å; F91-F95 AromaticContact CZ-CE2 3.77Å; F91-F95 HydrophobicContact CZ-CE2 3.77Å; F91-F95 HydrophobicContact CZ-CG 4.24Å; F95-M99 VanDerWaalsContact CA-SD 3.59Å; F95-M99 HydrophobicContact CB-SD 4.32Å; F95-M99 HydrophobicContact CD1-CE 3.69Å; F95-M99 HydrophobicContact CD1-SD 3.74Å; F95-M99 HydrophobicContact CE1-CE 3.68Å; F95-M99 HydrophobicContact CE1-SD 4.36Å; F95-M99 HydrophobicContact CG-CE 4.42Å; F95-M99 HydrophobicContact CG-SD 4.16Å; F95-M99 HydrophobicContact CZ-CE 4.39Å; F95-N147 HydrophobicContact CD1-CB 4.28Å; F95-N147 HydrophobicContact CE1-CB 4.04Å; F95-I206 HydrophobicContact CE2-CD1 4.1Å; F95-I206 HydrophobicContact CZ-CD1 4.25Å; F95-L239 HydrophobicContact CD2-CD1 3.62Å; F95-L239 HydrophobicContact CE2-CD1 3.99Å; F95-L239 HydrophobicContact CE2-CD2 4.27Å; F95-L243 HydrophobicContact CB-CD2 4.21Å; F95-L243 HydrophobicContact CD2-CD2 4.32Å; F95-L243 HydrophobicContact CG-CD2 4.46Å; F95-K246 PolarHBondContact O-NZ 2.96Å
96	N	48.8	Very low	56	Low	76 Å²	76	80.5 Å²	80.5	41%	0.406	42%	0.416	S	S	.	.			trans	-72.3	143.5	179.5	-69.2	-14.2	0	0	0	110.1	E98 M99	N96-E98 PolarHBondContact O-N 2.95Å; N96-E98 VanDerWaalsContact O-N 3.07Å; N96-M99 HydrophobicContact CB-CG 4.43Å; N96-M99 PolarHBondContact N-SD 2.78Å; N96-M99 VanDerWaalsContact N-SD 3.39Å; N96-M99 WeakPolarHBondContact O-CB 3.11Å; N96-M99 VanDerWaalsContact O-CG 3.27Å; N96-M99 WeakPolarHBondContact O-CG 2.83Å; N96-M99 PolarHBondContact O-N 3.23Å
97	E	45.3	Very low	54.9	Low	165 Å²	165	77.9 Å²	77.9	77%	0.771	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.5	175.5	-70.5	-167.3	152.1	0	0	112.6	M99 K143	E97-M99 PolarHBondContact O-N 3.24Å; E97-K143 IonicContact OE1-NZ 2.71Å
98	E	41.1	Very low	53.8	Low	176 Å²	176	82.5 Å²	82.5	82%	0.822	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-3.9	170.3	-71.2	-174.5	156.8	0	0	114.1	N96 N100	N96-E98 PolarHBondContact O-N 2.95Å; N96-E98 VanDerWaalsContact O-N 3.07Å; E98-N100 PolarHBondContact O-N 3.11Å
99	M	44.5	Very low	53.3	Low	38 Å²	38	79.4 Å²	79.4	19%	0.187	42%	0.416	C	S	.	.			trans	-74.7	66.1	175	-66	177.1	68.2	0	0	111.6	F95 N96 E97 L101	F95-M99 VanDerWaalsContact CA-SD 3.59Å; F95-M99 HydrophobicContact CB-SD 4.32Å; F95-M99 HydrophobicContact CD1-CE 3.69Å; F95-M99 HydrophobicContact CD1-SD 3.74Å; F95-M99 HydrophobicContact CE1-CE 3.68Å; F95-M99 HydrophobicContact CE1-SD 4.36Å; F95-M99 HydrophobicContact CG-CE 4.42Å; F95-M99 HydrophobicContact CG-SD 4.16Å; F95-M99 HydrophobicContact CZ-CE 4.39Å; N96-M99 HydrophobicContact CB-CG 4.43Å; N96-M99 PolarHBondContact N-SD 2.78Å; N96-M99 VanDerWaalsContact N-SD 3.39Å; N96-M99 WeakPolarHBondContact O-CB 3.11Å; N96-M99 VanDerWaalsContact O-CG 3.27Å; N96-M99 WeakPolarHBondContact O-CG 2.83Å; N96-M99 PolarHBondContact O-N 3.23Å; E97-M99 PolarHBondContact O-N 3.24Å; M99-L101 HydrophobicContact CB-CB 4.33Å; M99-L101 HydrophobicContact CE-CB 4.45Å; M99-L101 HydrophobicContact CE-CD1 4.15Å; M99-L101 HydrophobicContact CE-CD2 3.85Å; M99-L101 HydrophobicContact CE-CG 4.39Å; M99-L101 HydrophobicContact CG-CD1 4.4Å; M99-L101 PolarHBondContact O-N 3.33Å
100	N	43.6	Very low	53.3	Low	114 Å²	114	80.4 Å²	80.4	61%	0.61	43%	0.425	S	S	*	.			trans	-65.1	53.6	144.5	-78.5	-35.9	0	0	0	109.2	E98 I102 N103	E98-N100 PolarHBondContact O-N 3.11Å; N100-I102 PolarHBondContact O-N 2.92Å; N100-N103 WeakPolarHBondContact O-CB 3.34Å; N100-N103 PolarHBondContact O-N 3.38Å
101	L	45.4	Very low	53.7	Low	46 Å²	46	84.6 Å²	84.6	24%	0.241	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-10.8	-172.5	-142.5	79.6	0	0	0	112.5	M99 N103 D104 T105	M99-L101 HydrophobicContact CB-CB 4.33Å; M99-L101 HydrophobicContact CE-CB 4.45Å; M99-L101 HydrophobicContact CE-CD1 4.15Å; M99-L101 HydrophobicContact CE-CD2 3.85Å; M99-L101 HydrophobicContact CE-CG 4.39Å; M99-L101 HydrophobicContact CG-CD1 4.4Å; M99-L101 PolarHBondContact O-N 3.33Å; L101-N103 PolarHBondContact O-N 2.93Å; L101-D104 HydrophobicContact CD1-CB 3.74Å; L101-D104 HydrophobicContact CG-CB 3.87Å; L101-D104 CarbonylContact O-C 3.57Å; L101-D104 PolarHBondContact O-N 3.28Å; L101-T105 PolarHBondContact O-N 2.89Å
102	I	44.2	Very low	54.7	Low	66 Å²	66	85.5 Å²	85.5	34%	0.338	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-24.7	165.8	-55.3	178.6	0	0	0	110.7	N100 T105 N146	N100-I102 PolarHBondContact O-N 2.92Å; I102-T105 PolarHBondContact O-OG1 3.41Å; I102-N146 VanDerWaalsContact CD1-OD1 3.23Å; I102-N146 WeakPolarHBondContact CD1-OD1 3.41Å
103	N	40.2	Very low	56.1	Low	138 Å²	138	80 Å²	80	74%	0.738	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-15.9	170.7	-73	-10.5	0	0	0	113.4	N100 L101	N100-N103 WeakPolarHBondContact O-CB 3.34Å; N100-N103 PolarHBondContact O-N 3.38Å; L101-N103 PolarHBondContact O-N 2.93Å
104	D	44	Very low	57.9	Low	126 Å²	126	79.5 Å²	79.5	67%	0.674	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	0.3	178.8	-111.1	-6.2	0	0	0	112.8	L101 F106	L101-D104 HydrophobicContact CD1-CB 3.74Å; L101-D104 HydrophobicContact CG-CB 3.87Å; L101-D104 CarbonylContact O-C 3.57Å; L101-D104 PolarHBondContact O-N 3.28Å; D104-F106 PolarHBondContact O-N 2.89Å
105	T	51.8	Low	59.7	Low	10 Å²	10	74.5 Å²	74.5	6%	0.061	39%	0.388	C	S	.	.	S	Bend	trans	-60.3	131	164.4	35.4	0	0	0	0	109.8	L101 I102 Y107 I153 P154	L101-T105 PolarHBondContact O-N 2.89Å; I102-T105 PolarHBondContact O-OG1 3.41Å; T105-Y107 PolarHBondContact O-N 3.49Å; T105-I153 HydrophobicContact CG2-CB 3.88Å; T105-I153 HydrophobicContact CG2-CG2 3.39Å; T105-P154 HydrophobicContact CG2-CG 3.85Å
106	F	53.4	Low	61.3	Low	84 Å²	84	74.8 Å²	74.8	37%	0.368	39%	0.389	S	S	.	.	S	Bend	trans	-52.3	-36.8	-165.3	-67.4	-73.3	0	0	0	114.1	G82 L83 D104	G82-F106 WeakPolarHBondContact O-CE2 3.24Å; G82-F106 VanDerWaalsContact O-CZ 3.28Å; G82-F106 WeakPolarHBondContact O-CZ 2.97Å; L83-F106 HydrophobicContact CD2-CB 4.22Å; L83-F106 HydrophobicContact CD2-CD2 3.61Å; L83-F106 HydrophobicContact CD2-CE2 4.33Å; L83-F106 HydrophobicContact CD2-CG 4.2Å; L83-F106 HydrophobicContact CG-CD2 4.48Å; D104-F106 PolarHBondContact O-N 2.89Å
107	Y	58.7	Low	63.4	Low	54 Å²	54	72.5 Å²	72.5	21%	0.212	38%	0.376	C	S	.	.	S	Bend	trans	-131.8	136.6	169.7	-79.1	-81.3	0	0	0	110.5	V75 P76 K79 T105 Q157	V75-Y107 HydrophobicContact CB-CD2 4.44Å; V75-Y107 HydrophobicContact CG1-CD2 4.04Å; V75-Y107 HydrophobicContact CG1-CE2 3.88Å; V75-Y107 HydrophobicContact CG2-CD2 4Å; V75-Y107 HydrophobicContact CG2-CG 4.42Å; P76-Y107 WeakPolarHBondContact CD-OH 3.23Å; P76-Y107 HydrophobicContact CG-CE1 4.45Å; P76-Y107 WeakPolarHBondContact CG-OH 3.31Å; K79-Y107 HydrophobicContact CB-CE2 4.01Å; K79-Y107 HydrophobicContact CG-CE2 4.33Å; T105-Y107 PolarHBondContact O-N 3.49Å; Y107-Q157 PolarHBondContact O-NE2 3.04Å
108	P	60.2	Low	65.6	Low	105 Å²	105	66.4 Å²	66.4	68%	0.682	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-62.2	138.9	179.8	24.2	-31.8	0	0	0	110.7
109	Q	65.3	Low	68	Low	48 Å²	48	62.2 Å²	62.2	22%	0.224	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-64.3	155.7	168.9	-65.8	-175.4	-5.1	0	0	110	W115 I153 Y163	Q109-W115 HydrophobicContact CG-CB 4.37Å; Q109-I153 HydrophobicContact CG-CG2 4.44Å; Q109-I153 VanDerWaalsContact NE2-CD1 3.26Å; Q109-Y163 PolarHBondContact NE2-OH 3.17Å
110	S	74.5	Confident	70.2	Confident	48 Å²	48	66.4 Å²	66.4	34%	0.336	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-59.1	151.1	162.3	-166	0	0	0	0	109.1	D112 G113 S114	S110-D112 WeakPolarHBondContact CB-OD1 3.42Å; S110-D112 PolarHBondContact O-N 3.45Å; S110-G113 PolarHBondContact O-N 2.83Å; S110-S114 PolarHBondContact N-O 2.91Å
111	L	75.3	Confident	72.5	Confident	189 Å²	189	66.8 Å²	66.8	99%	0.99	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-22.6	-178	-99.8	130.6	0	0	0	113.8
112	D	83.6	Confident	74.8	Confident	51 Å²	51	66.6 Å²	66.6	27%	0.273	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	8.8	-178	72.5	-5.6	0	0	0	114.9	Q63 S110 S114 R164	Q63-D112 PolarHBondContact NE2-OD2 3.44Å; Q63-D112 PolarHBondContact OE1-OD2 3.46Å; S110-D112 WeakPolarHBondContact CB-OD1 3.42Å; S110-D112 PolarHBondContact O-N 3.45Å; D112-S114 WeakPolarHBondContact OD1-CB 3.29Å; D112-S114 PolarHBondContact OD1-N 3.16Å; D112-S114 VanDerWaalsContact OD1-N 3.11Å; D112-S114 PolarHBondContact OD1-OG 3.49Å; D112-S114 PolarHBondContact OD2-OG 3.38Å; D112-R164 PolarHBondContact O-NE 2.82Å; D112-R164 VanDerWaalsContact O-NE 3.14Å; D112-R164 IonicContact OD2-CZ 3.46Å; D112-R164 IonicContact OD2-NE 2.68Å; D112-R164 IonicContact OD2-NH1 3.41Å; D112-R164 PolarHBondContact OD2-NH1 2.69Å; D112-R164 IonicContact OD2-NH2 3.68Å
113	G	88.5	Confident	77.3	Confident	13 Å²	13	67.3 Å²	67.3	13%	0.134	36%	0.358	C	S	.	.	S	Bend	trans	83.3	14.6	178.8	0	0	0	0	0	114.3	S110 R164 I165	S110-G113 PolarHBondContact O-N 2.83Å; G113-R164 WeakPolarHBondContact O-CA 3.34Å; G113-I165 PolarHBondContact O-N 3.14Å
114	S	92.6	Very high	80	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	146.9	-176.5	-42.8	0	0	0	0	112.7	Q63 S110 D112 Y163 R164	Q63-S114 PolarHBondContact OE1-OG 3.04Å; S110-S114 PolarHBondContact N-O 2.91Å; D112-S114 WeakPolarHBondContact OD1-CB 3.29Å; D112-S114 PolarHBondContact OD1-N 3.16Å; D112-S114 VanDerWaalsContact OD1-N 3.11Å; D112-S114 PolarHBondContact OD1-OG 3.49Å; D112-S114 PolarHBondContact OD2-OG 3.38Å; S114-Y163 WeakPolarHBondContact CA-O 3.1Å; S114-R164 WeakPolarHBondContact OG-CD 3.39Å; S114-R164 VanDerWaalsContact OG-CG 3.3Å; S114-R164 WeakPolarHBondContact OG-CG 3.26Å
115	W	93.7	Very high	82.4	Confident	6 Å²	6	58.5 Å²	58.5	2%	0.023	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	153.5	176.5	-172.9	90.6	0	0	0	111.2	Q109 F117 Q157 C162 Y163	Q109-W115 HydrophobicContact CG-CB 4.37Å; W115-F117 HydrophobicContact CH2-CB 3.7Å; W115-F117 HydrophobicContact CH2-CD2 4.29Å; W115-F117 HydrophobicContact CZ3-CB 4.1Å; W115-F117 VanDerWaalsContact CZ3-N 3.28Å; W115-Q157 HydrophobicContact CD2-CG 3.79Å; W115-Q157 HydrophobicContact CE3-CB 4.49Å; W115-Q157 HydrophobicContact CE3-CG 3.9Å; W115-Q157 HydrophobicContact CG-CG 4.43Å; W115-Q157 HydrophobicContact CH2-CB 3.89Å; W115-Q157 HydrophobicContact CH2-CG 3.97Å; W115-Q157 HydrophobicContact CZ2-CB 4.13Å; W115-Q157 HydrophobicContact CZ2-CG 3.88Å; W115-Q157 HydrophobicContact CZ3-CB 4.1Å; W115-Q157 HydrophobicContact CZ3-CG 4Å; W115-C162 WeakPolarHBondContact O-CA 3.33Å; W115-Y163 HydrophobicContact CB-CE1 3.93Å; W115-Y163 HydrophobicContact CB-CE2 4.26Å; W115-Y163 HydrophobicContact CD2-CE1 4.32Å; W115-Y163 HydrophobicContact CE3-CD1 4.37Å; W115-Y163 AromaticContact CE3-CE1 3.72Å; W115-Y163 HydrophobicContact CE3-CE1 3.72Å; W115-Y163 HydrophobicContact CG-CE1 4.45Å; W115-Y163 PolarHBondContact N-O 3.38Å; W115-Y163 PolarHBondContact O-N 3.1Å
116	M	93.3	Very high	84.4	Confident	18 Å²	18	64.3 Å²	64.3	9%	0.089	35%	0.348	C	S	.	.			trans	-149.8	161.3	161.5	73.6	165.3	-78.8	0	0	110.5	I68 C69 I72 V127 C162	I68-M116 HydrophobicContact CG2-CB 4.4Å; I68-M116 HydrophobicContact CG2-CG 3.99Å; C69-M116 HydrophobicContact CB-CE 4.4Å; C69-M116 HydrophobicContact CB-SD 3.51Å; C69-M116 VanDerWaalsContact CB-SD 3.51Å; I72-M116 HydrophobicContact CD1-CG 3.6Å; I72-M116 WeakPolarHBondContact CD1-O 3.32Å; M116-V127 HydrophobicContact CE-CG1 3.88Å; M116-V127 HydrophobicContact CE-CG2 3.97Å; M116-V127 HydrophobicContact SD-CG1 3.91Å; M116-C162 HydrophobicContact CB-CB 3.77Å
117	F	92.4	Very high	86.3	Confident	28 Å²	28	61.4 Å²	61.4	12%	0.123	34%	0.337	C	S	.	.			trans	-74.9	126.8	172.2	-177.4	-108.8	0	0	0	110.6	V75 V80 L83 W115 E119 H160	V75-F117 HydrophobicContact CB-CE2 4.06Å; V75-F117 HydrophobicContact CG1-CE2 4.35Å; V75-F117 HydrophobicContact CG2-CD2 3.98Å; V75-F117 HydrophobicContact CG2-CE2 3.98Å; V80-F117 HydrophobicContact CG1-CE2 4.44Å; V80-F117 HydrophobicContact CG1-CZ 4.02Å; V80-F117 HydrophobicContact CG2-CE2 4.43Å; V80-F117 HydrophobicContact CG2-CZ 4.25Å; L83-F117 HydrophobicContact CD1-CD2 3.74Å; L83-F117 HydrophobicContact CD1-CE2 3.73Å; W115-F117 HydrophobicContact CH2-CB 3.7Å; W115-F117 HydrophobicContact CH2-CD2 4.29Å; W115-F117 HydrophobicContact CZ3-CB 4.1Å; W115-F117 VanDerWaalsContact CZ3-N 3.28Å; F117-E119 HydrophobicContact CD1-CG 4.31Å; F117-E119 HydrophobicContact CE1-CG 3.36Å; F117-E119 HydrophobicContact CZ-CG 3.62Å; F117-H160 HydrophobicContact CB-CB 3.88Å; F117-H160 AromaticContact CD2-CD2 3.96Å; F117-H160 HydrophobicContact CG-CB 4.35Å; F117-H160 AromaticContact CG-CD2 3.86Å; F117-H160 AromaticContact CG-CG 3.95Å
118	K	92	Very high	87.9	Confident	37 Å²	37	65.5 Å²	65.5	16%	0.161	36%	0.362	C	S	.	.			trans	-132.6	119.6	177.6	177.4	-175.5	178.3	178	0	109.7	C69 I72 S74 V75 T122	C69-K118 VanDerWaalsContact O-CD 3.3Å; C69-K118 WeakPolarHBondContact O-CD 3.23Å; C69-K118 WeakPolarHBondContact O-CE 3.37Å; C69-K118 PolarHBondContact O-NZ 2.91Å; I72-K118 HydrophobicContact CD1-CB 3.97Å; I72-K118 HydrophobicContact CG1-CB 4.25Å; I72-K118 HydrophobicContact CG1-CD 3.92Å; I72-K118 WeakPolarHBondContact O-CD 3.48Å; I72-K118 PolarHBondContact O-NZ 3.16Å; S74-K118 CarbonylContact C-O 3.59Å; S74-K118 VanDerWaalsContact CA-O 3.25Å; S74-K118 WeakPolarHBondContact CA-O 3.37Å; V75-K118 PolarHBondContact N-O 2.97Å; K118-T122 HydrophobicContact CG-CG2 4.46Å
119	E	91	Very high	89.4	Confident	88 Å²	88	65.4 Å²	65.4	41%	0.411	35%	0.352	S	S	.	.			trans	-84.1	160.7	169.4	-58.9	-174.5	134.6	0	0	110.6	F117 T121 T122	F117-E119 HydrophobicContact CD1-CG 4.31Å; F117-E119 HydrophobicContact CE1-CG 3.36Å; F117-E119 HydrophobicContact CZ-CG 3.62Å; E119-T121 PolarHBondContact O-N 3.39Å; E119-T121 VanDerWaalsContact O-N 3.16Å; E119-T122 WeakPolarHBondContact CA-OG1 3.5Å; E119-T122 WeakPolarHBondContact CB-OG1 3.11Å; E119-T122 PolarHBondContact N-OG1 3.1Å; E119-T122 VanDerWaalsContact O-CB 3.31Å; E119-T122 WeakPolarHBondContact O-CB 3.36Å; E119-T122 PolarHBondContact O-N 2.79Å; E119-T122 PolarHBondContact O-OG1 2.78Å
120	E	90.4	Very high	90.6	Very high	126 Å²	126	64.8 Å²	64.8	59%	0.589	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-30	176.9	-67.2	170.6	-150.9	0	0	112.5	S77	S77-E120 PolarHBondContact N-OE1 3.29Å; S77-E120 PolarHBondContact OG-OE1 2.87Å
121	T	93	Very high	91.4	Very high	122 Å²	122	62.8 Å²	62.8	75%	0.748	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-0.8	-179.9	54.4	0	0	0	0	113.9	E119 D123	E119-T121 PolarHBondContact O-N 3.39Å; E119-T121 VanDerWaalsContact O-N 3.16Å; T121-D123 PolarHBondContact O-N 2.83Å
122	T	93.6	Very high	92.3	Very high	41 Å²	41	54.1 Å²	54.1	25%	0.252	30%	0.295	S	S	.	.			trans	-67.5	116.3	-175.3	-64.1	0	0	0	0	111.2	K118 E119 C124 V127	K118-T122 HydrophobicContact CG-CG2 4.46Å; E119-T122 WeakPolarHBondContact CA-OG1 3.5Å; E119-T122 WeakPolarHBondContact CB-OG1 3.11Å; E119-T122 PolarHBondContact N-OG1 3.1Å; E119-T122 VanDerWaalsContact O-CB 3.31Å; E119-T122 WeakPolarHBondContact O-CB 3.36Å; E119-T122 PolarHBondContact O-N 2.79Å; E119-T122 PolarHBondContact O-OG1 2.78Å; T122-C124 PolarHBondContact O-N 3.4Å; T122-V127 HydrophobicContact CG2-CG2 4.16Å
123	D	96.1	Very high	92.7	Very high	81 Å²	81	51.7 Å²	51.7	43%	0.433	28%	0.282	S	S	.	.			trans	-80.8	107	166.2	178.3	7.3	0	0	0	109.9	T121 S125 N126	T121-D123 PolarHBondContact O-N 2.83Å; D123-S125 PolarHBondContact O-N 3.19Å; D123-S125 WeakPolarHBondContact OD1-CB 3.43Å; D123-S125 PolarHBondContact OD1-N 3.27Å; D123-S125 PolarHBondContact OD1-OG 3.41Å; D123-N126 PolarHBondContact O-N 2.88Å; D123-N126 PolarHBondContact OD2-ND2 3.17Å
124	C	95.9	Very high	92.9	Very high	14 Å²	14	51.1 Å²	51.1	10%	0.095	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-58.9	-20.3	179.1	-61.8	0	0	0	0	113.5	R66 C69 K70 T122 N126 V127	R66-C124 WeakPolarHBondContact CG-O 3.25Å; C69-C124 HydrophobicContact CB-CB 3.66Å; C69-C124 WeakPolarHBondContact CB-SG 3.44Å; C69-C124 PolarHBondContact O-SG 3.01Å; C69-C124 VanDerWaalsContact O-SG 3.38Å; C69-C124 WeakPolarHBondContact SG-CA 3.17Å; C69-C124 WeakPolarHBondContact SG-CB 3.15Å; C69-C124 CovalentContact SG-SG 2.04Å; C69-C124 PolarHBondContact SG-SG 2.89Å; K70-C124 HydrophobicContact CG-CB 3.91Å; T122-C124 PolarHBondContact O-N 3.4Å; C124-N126 PolarHBondContact O-N 3.12Å; C124-V127 PolarHBondContact O-N 3.47Å
125	S	94.4	Very high	92.9	Very high	66 Å²	66	51.1 Å²	51.1	46%	0.462	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-64	-27.5	175.5	-45.7	0	0	0	0	112.2	R66 D123	R66-S125 VanDerWaalsContact CZ-O 3.27Å; R66-S125 PolarHBondContact NH2-O 3.2Å; D123-S125 PolarHBondContact O-N 3.19Å; D123-S125 WeakPolarHBondContact OD1-CB 3.43Å; D123-S125 PolarHBondContact OD1-N 3.27Å; D123-S125 PolarHBondContact OD1-OG 3.41Å
126	N	94.6	Very high	92.8	Very high	131 Å²	131	50.8 Å²	50.8	70%	0.701	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-90.1	-7	179.7	-61.3	-35.4	0	0	0	113.2	D123 C124	D123-N126 PolarHBondContact O-N 2.88Å; D123-N126 PolarHBondContact OD2-ND2 3.17Å; C124-N126 PolarHBondContact O-N 3.12Å
127	V	93.9	Very high	92.4	Very high	23 Å²	23	50.3 Å²	50.3	14%	0.139	27%	0.273	C	S	.	.	S	Bend	trans	-72.2	135.1	175.7	179.4	0	0	0	0	109.2	C65 R66 C69 M116 T122 C124	C65-V127 HydrophobicContact CB-CG1 3.88Å; R66-V127 PolarHBondContact NE-O 2.99Å; R66-V127 PolarHBondContact NH2-O 3.4Å; C69-V127 HydrophobicContact CB-CG2 4.31Å; M116-V127 HydrophobicContact CE-CG1 3.88Å; M116-V127 HydrophobicContact CE-CG2 3.97Å; M116-V127 HydrophobicContact SD-CG1 3.91Å; T122-V127 HydrophobicContact CG2-CG2 4.16Å; C124-V127 PolarHBondContact O-N 3.47Å
128	L	91.8	Very high	92	Very high	141 Å²	141	49 Å²	49	74%	0.738	27%	0.267	S	S	*	.			trans	-54.2	152.4	171.6	-69.3	171.7	0	0	0	110.3	C65	C65-L128 VanDerWaalsContact CB-O 3.25Å; C65-L128 WeakPolarHBondContact CB-O 3.48Å
129	Q	91.1	Very high	91.5	Very high	102 Å²	102	49.7 Å²	49.7	48%	0.477	27%	0.269	S	S	.	.	S	Bend	trans	-79.2	-43.2	179.5	-66.6	-164.4	43.3	0	0	112.1	T64 C65	T64-Q129 CarbonylContact C-O 3.58Å; T64-Q129 WeakPolarHBondContact CA-O 3.36Å; T64-Q129 VanDerWaalsContact CB-O 3.28Å; T64-Q129 WeakPolarHBondContact CB-O 3.5Å; T64-Q129 HydrophobicContact CG2-CB 4.27Å; C65-Q129 PolarHBondContact N-O 2.9Å
130	S	90.6	Very high	91	Very high	35 Å²	35	51.3 Å²	51.3	25%	0.245	28%	0.28	C	S	.	.			trans	-89.7	144.7	-173	-44.1	0	0	0	0	112.3	C65 D194	C65-S130 VanDerWaalsContact SG-C 3.6Å; S130-D194 CarbonylContact C-O 3.59Å; S130-D194 VanDerWaalsContact CA-O 3.26Å; S130-D194 WeakPolarHBondContact CA-O 3.41Å; S130-D194 PolarHBondContact OG-OD2 2.93Å
131	G	92.3	Very high	90.6	Very high	6 Å²	6	49 Å²	49	6%	0.062	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	-150.2	175.1	0	0	0	0	0	113.5	C65 C162 D194 F195 N196 C197	C65-G131 WeakPolarHBondContact SG-CA 3.4Å; C65-G131 PolarHBondContact SG-N 3.05Å; G131-C162 WeakPolarHBondContact CA-O 3.17Å; G131-D194 PolarHBondContact N-O 3.27Å; G131-F195 VanDerWaalsContact O-CA 3.27Å; G131-F195 WeakPolarHBondContact O-CA 2.92Å; G131-F195 WeakPolarHBondContact O-CB 3.36Å; G131-N196 PolarHBondContact O-N 2.99Å; G131-N196 PolarHBondContact O-OD1 3.17Å; G131-C197 PolarHBondContact O-N 3.38Å
132	V	93.5	Very high	90.1	Very high	8 Å²	8	49.7 Å²	49.7	5%	0.048	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.9	-178.7	-172.9	0	0	0	0	111.2	I134 L161 C162 Y163 R164 C197 I199	V132-I134 HydrophobicContact CG1-CD1 3.56Å; V132-I134 HydrophobicContact CG1-CG1 4.41Å; V132-L161 HydrophobicContact CG2-CD2 4.37Å; V132-C162 PolarHBondContact N-O 3.06Å; V132-Y163 CarbonylContact O-C 3.58Å; V132-Y163 WeakPolarHBondContact O-CA 3.36Å; V132-Y163 WeakPolarHBondContact O-CB 3.48Å; V132-R164 PolarHBondContact O-N 3.34Å; V132-C197 CarbonylContact C-O 3.58Å; V132-C197 WeakPolarHBondContact CA-O 3.16Å; V132-C197 HydrophobicContact CB-CB 4.4Å; V132-C197 HydrophobicContact CG1-CB 4.31Å; V132-C197 HydrophobicContact CG2-CB 4.03Å; V132-I199 HydrophobicContact CG1-CD1 4.18Å; V132-I199 HydrophobicContact CG1-CG1 3.95Å
133	A	92	Very high	89.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	119.6	167.9	0	0	0	0	0	110.3	F166 A189 F195 C197 V198 I199	A133-F166 HydrophobicContact CB-CD2 4.39Å; A133-F166 HydrophobicContact CB-CE2 4.2Å; A133-A189 HydrophobicContact CB-CB 4.41Å; A133-F195 HydrophobicContact CB-CB 4.14Å; A133-F195 HydrophobicContact CB-CD1 3.62Å; A133-F195 HydrophobicContact CB-CD2 3.88Å; A133-F195 HydrophobicContact CB-CE1 3.84Å; A133-F195 HydrophobicContact CB-CE2 4.11Å; A133-F195 HydrophobicContact CB-CG 3.62Å; A133-F195 HydrophobicContact CB-CZ 4.08Å; A133-C197 PolarHBondContact N-O 3.11Å; A133-V198 HydrophobicContact CB-CB 4.32Å; A133-V198 HydrophobicContact CB-CG2 4.15Å; A133-V198 CarbonylContact O-C 3.47Å; A133-V198 VanDerWaalsContact O-CA 3.29Å; A133-V198 WeakPolarHBondContact O-CA 3.49Å; A133-I199 PolarHBondContact O-N 3.31Å
134	I	93.7	Very high	89	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	105.4	174.7	-51.2	-62.9	0	0	0	108.1	V132 I136 L152 L156 R164 I165 F166 I199	V132-I134 HydrophobicContact CG1-CD1 3.56Å; V132-I134 HydrophobicContact CG1-CG1 4.41Å; I134-I136 HydrophobicContact CG2-CD1 4.45Å; I134-I136 HydrophobicContact CG2-CG1 4.11Å; I134-L152 HydrophobicContact CG2-CD2 4.18Å; I134-L156 HydrophobicContact CD1-CD2 4.19Å; I134-L156 HydrophobicContact CG1-CD1 4.06Å; I134-R164 PolarHBondContact N-O 2.83Å; I134-I165 HydrophobicContact CB-CG1 4.15Å; I134-I165 HydrophobicContact CG1-CG1 4.48Å; I134-I165 CarbonylContact O-C 3.45Å; I134-I165 WeakPolarHBondContact O-CA 3.03Å; I134-F166 PolarHBondContact O-N 2.86Å; I134-I199 HydrophobicContact CD1-CB 3.76Å; I134-I199 HydrophobicContact CD1-CD1 3.8Å; I134-I199 HydrophobicContact CD1-CG1 3.87Å; I134-I199 HydrophobicContact CD1-CG2 4.48Å
135	I	90.9	Very high	88.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	109.3	-176.9	-61.8	173.5	0	0	0	108.9	F166 I168 F186 V198 I199 F200 H201	I135-F166 CarbonylContact C-O 3.27Å; I135-F166 WeakPolarHBondContact CA-O 3.27Å; I135-F166 HydrophobicContact CG1-CB 4.41Å; I135-I168 HydrophobicContact CG2-CG1 3.79Å; I135-F186 HydrophobicContact CD1-CB 4.18Å; I135-V198 HydrophobicContact CD1-CG2 3.4Å; I135-V198 HydrophobicContact CG1-CG2 3.97Å; I135-I199 PolarHBondContact N-O 3.12Å; I135-F200 HydrophobicContact CB-CD1 3.96Å; I135-F200 HydrophobicContact CB-CE1 4.29Å; I135-F200 HydrophobicContact CD1-CD1 4.16Å; I135-F200 HydrophobicContact CD1-CE1 3.63Å; I135-F200 HydrophobicContact CD1-CZ 4.4Å; I135-F200 HydrophobicContact CG2-CD1 4.05Å; I135-F200 HydrophobicContact CG2-CE1 4.33Å; I135-F200 WeakPolarHBondContact O-CA 3.4Å; I135-H201 PolarHBondContact O-N 2.87Å
136	I	91.6	Very high	88	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117.3	179.7	-49.7	179.2	0	0	0	109.7	I134 L145 L149 L152 I165 F166 V167 I168 H201 A203	I134-I136 HydrophobicContact CG2-CD1 4.45Å; I134-I136 HydrophobicContact CG2-CG1 4.11Å; I136-L145 HydrophobicContact CB-CD1 4.35Å; I136-L145 HydrophobicContact CD1-CD1 3.96Å; I136-L145 HydrophobicContact CG2-CD1 3.6Å; I136-L149 HydrophobicContact CD1-CD2 3.63Å; I136-L149 HydrophobicContact CD1-CG 4.48Å; I136-L152 HydrophobicContact CD1-CD2 4.28Å; I136-I165 HydrophobicContact CD1-CG2 3.76Å; I136-I165 HydrophobicContact CG1-CG2 4.27Å; I136-F166 PolarHBondContact N-O 3.22Å; I136-V167 CarbonylContact O-C 3.56Å; I136-V167 WeakPolarHBondContact O-CA 3.4Å; I136-I168 PolarHBondContact O-N 3.04Å; I136-H201 VanDerWaalsContact CA-O 3.3Å; I136-H201 WeakPolarHBondContact CA-O 3.33Å; I136-H201 HydrophobicContact CG1-CB 4.23Å; I136-A203 HydrophobicContact CG2-CB 4.08Å
137	V	86.4	Confident	87.3	Confident	8 Å²	8	43.6 Å²	43.6	5%	0.048	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	120.9	172.9	179.6	0	0	0	0	109	L176 K178 L181 M182 H201 A203	V137-L176 HydrophobicContact CG1-CD1 4.47Å; V137-K178 HydrophobicContact CG1-CG 4.5Å; V137-L181 HydrophobicContact CG1-CB 3.86Å; V137-L181 HydrophobicContact CG1-CD1 3.47Å; V137-L181 VanDerWaalsContact CG1-CD1 3.47Å; V137-L181 HydrophobicContact CG1-CG 4.33Å; V137-L181 HydrophobicContact CG2-CB 3.96Å; V137-M182 HydrophobicContact CG2-CE 4.27Å; V137-M182 HydrophobicContact CG2-CG 3.65Å; V137-H201 PolarHBondContact N-O 3.11Å; V137-H201 VanDerWaalsContact N-O 3.17Å; V137-A203 WeakPolarHBondContact O-CB 3.31Å
138	C	83.8	Confident	86.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	140.5	179	-170.8	0	0	0	0	110.9	L145 V167 I168 E169 Q170 A203	C138-L145 HydrophobicContact CB-CD2 4.28Å; C138-V167 HydrophobicContact CB-CG1 3.72Å; C138-I168 PolarHBondContact N-O 2.78Å; C138-E169 WeakPolarHBondContact O-CA 3.44Å; C138-Q170 PolarHBondContact O-N 2.66Å; C138-A203 HydrophobicContact CB-CB 4.39Å
139	R	81.4	Confident	86.7	Confident	51 Å²	51	36.8 Å²	36.8	19%	0.192	17%	0.173	C	C	.	.	S	Bend	trans	-153.1	118.9	165.7	179.4	-169.6	166	177	6.7	108.9	R141 T173 G174 L176	R139-R141 WeakPolarHBondContact O-CG 3.36Å; R139-R141 PolarHBondContact O-N 3.01Å; R139-T173 PolarHBondContact NH2-O 3.34Å; R139-G174 PolarHBondContact NH1-O 2.63Å; R139-G174 PolarHBondContact NH2-O 3.11Å; R139-L176 HydrophobicContact CB-CD1 3.81Å; R139-L176 HydrophobicContact CG-CD1 4.44Å
140	D	79.2	Confident	86.3	Confident	123 Å²	123	32 Å²	32	66%	0.658	15%	0.15	S	C	*	.	S	Bend	trans	51.5	25.4	177.4	-55.7	-47.5	0	0	0	113.1
141	R	82.9	Confident	86	Confident	76 Å²	76	30.7 Å²	30.7	29%	0.287	14%	0.141	S	C	.	.			trans	-126.5	32.5	-172.9	-79.5	-175.7	-179.6	-159.7	-8.1	112	R139 K143 Q144 L145 A203 D204	R139-R141 WeakPolarHBondContact O-CG 3.36Å; R139-R141 PolarHBondContact O-N 3.01Å; R141-K143 VanDerWaalsContact C-N 3.28Å; R141-K143 PolarHBondContact O-N 2.87Å; R141-Q144 HydrophobicContact CB-CB 4.25Å; R141-Q144 PolarHBondContact O-N 3.45Å; R141-Q144 VanDerWaalsContact O-N 3.16Å; R141-Q144 PolarHBondContact O-OE1 3.42Å; R141-L145 WeakPolarHBondContact O-CB 3.38Å; R141-L145 PolarHBondContact O-N 3.41Å; R141-A203 HydrophobicContact CB-CB 4.4Å; R141-D204 IonicContact CZ-OD2 2.63Å; R141-D204 IonicContact NH1-OD1 3.97Å; R141-D204 PolarHBondContact NH1-OD1 3.02Å; R141-D204 IonicContact NH1-OD2 3.72Å; R141-D204 PolarHBondContact NH1-OD2 2.82Å
142	W	83.5	Confident	85.8	Confident	137 Å²	137	30.4 Å²	30.4	52%	0.519	14%	0.138	S	C	.	.	H	α-helix	trans	-60.6	-36	-176.7	-71.3	102.1	0	0	0	113.1	L145 N146 V167 E169	W142-L145 HydrophobicContact CE3-CD2 3.86Å; W142-L145 HydrophobicContact CZ3-CD2 3.88Å; W142-L145 PolarHBondContact O-N 2.81Å; W142-N146 WeakPolarHBondContact O-CB 3.24Å; W142-N146 PolarHBondContact O-N 3.08Å; W142-V167 HydrophobicContact CH2-CG1 4.47Å; W142-E169 PolarHBondContact NE1-OE1 2.77Å; W142-E169 VanDerWaalsContact NE1-OE1 3.13Å
143	K	82.5	Confident	85.6	Confident	97 Å²	97	30.2 Å²	30.2	42%	0.422	14%	0.137	S	C	.	.	H	α-helix	trans	-65.6	-44.6	175	-166.2	174.8	-172.5	-167.7	0	111.3	E97 R141 N146 N147 E248	E97-K143 IonicContact OE1-NZ 2.71Å; R141-K143 VanDerWaalsContact C-N 3.28Å; R141-K143 PolarHBondContact O-N 2.87Å; K143-N146 WeakPolarHBondContact O-CB 3.35Å; K143-N146 PolarHBondContact O-N 2.96Å; K143-N147 PolarHBondContact O-N 3.38Å; K143-E248 WeakPolarHBondContact CD-OE1 3.38Å; K143-E248 WeakPolarHBondContact CE-OE1 3.37Å; K143-E248 IonicContact NZ-OE1 3.46Å; K143-E248 PolarHBondContact NZ-OE1 3.22Å
144	Q	83.7	Confident	85.3	Confident	32 Å²	32	30.9 Å²	30.9	15%	0.15	14%	0.141	C	C	.	.	H	α-helix	trans	-62.8	-45.7	175.6	-65.2	75.4	3.4	0	0	111.8	R141 N146 N147 T148 A203 D204 Y250	R141-Q144 HydrophobicContact CB-CB 4.25Å; R141-Q144 PolarHBondContact O-N 3.45Å; R141-Q144 VanDerWaalsContact O-N 3.16Å; R141-Q144 PolarHBondContact O-OE1 3.42Å; Q144-N146 VanDerWaalsContact C-N 3.28Å; Q144-N146 PolarHBondContact O-N 3.3Å; Q144-N147 PolarHBondContact O-N 2.78Å; Q144-N147 VanDerWaalsContact O-N 3.17Å; Q144-T148 WeakPolarHBondContact O-CB 3.17Å; Q144-T148 PolarHBondContact O-N 3.25Å; Q144-T148 PolarHBondContact O-OG1 2.88Å; Q144-T148 VanDerWaalsContact O-OG1 3.12Å; Q144-A203 CarbonylContact C-O 3.53Å; Q144-D204 HydrophobicContact CB-CB 4.15Å; Q144-D204 HydrophobicContact CG-CB 4.26Å; Q144-Y250 VanDerWaalsContact CA-OH 3.28Å; Q144-Y250 WeakPolarHBondContact CA-OH 3.42Å; Q144-Y250 HydrophobicContact CB-CD1 4.37Å; Q144-Y250 HydrophobicContact CB-CE1 3.57Å; Q144-Y250 HydrophobicContact CG-CD1 4.33Å; Q144-Y250 HydrophobicContact CG-CE1 3.64Å; Q144-Y250 HydrophobicContact CG-CE2 4.27Å
145	L	85.8	Confident	85.1	Confident	5 Å²	5	30.9 Å²	30.9	3%	0.026	14%	0.141	C	C	.	.	H	α-helix	trans	-56.9	-44.1	176.7	178.8	62.4	0	0	0	111.1	I136 C138 R141 W142 N147 T148 L149 V167 A203	I136-L145 HydrophobicContact CB-CD1 4.35Å; I136-L145 HydrophobicContact CD1-CD1 3.96Å; I136-L145 HydrophobicContact CG2-CD1 3.6Å; C138-L145 HydrophobicContact CB-CD2 4.28Å; R141-L145 WeakPolarHBondContact O-CB 3.38Å; R141-L145 PolarHBondContact O-N 3.41Å; W142-L145 HydrophobicContact CE3-CD2 3.86Å; W142-L145 HydrophobicContact CZ3-CD2 3.88Å; W142-L145 PolarHBondContact O-N 2.81Å; L145-N147 VanDerWaalsContact C-N 3.35Å; L145-N147 PolarHBondContact O-N 2.98Å; L145-T148 PolarHBondContact O-N 2.95Å; L145-L149 HydrophobicContact CD1-CD1 4Å; L145-L149 HydrophobicContact CD1-CG 3.97Å; L145-L149 HydrophobicContact CG-CD1 3.88Å; L145-L149 HydrophobicContact CG-CG 4.27Å; L145-L149 WeakPolarHBondContact O-CB 3.26Å; L145-L149 VanDerWaalsContact O-CG 3.29Å; L145-L149 WeakPolarHBondContact O-CG 3.49Å; L145-L149 PolarHBondContact O-N 3.49Å; L145-V167 HydrophobicContact CD2-CG1 3.68Å; L145-V167 HydrophobicContact CD2-CG2 4.01Å; L145-A203 WeakPolarHBondContact CA-O 3.46Å; L145-A203 HydrophobicContact CB-CB 4.24Å; L145-A203 HydrophobicContact CD1-CB 4.28Å; L145-A203 PolarHBondContact N-O 3.07Å
146	N	83.5	Confident	85.1	Confident	53 Å²	53	30.9 Å²	30.9	28%	0.283	14%	0.141	S	C	.	.	H	α-helix	trans	-60.5	-43.8	178.3	-171.8	59.9	0	0	0	112.1	I102 W142 K143 Q144 L149 S150	I102-N146 VanDerWaalsContact CD1-OD1 3.23Å; I102-N146 WeakPolarHBondContact CD1-OD1 3.41Å; W142-N146 WeakPolarHBondContact O-CB 3.24Å; W142-N146 PolarHBondContact O-N 3.08Å; K143-N146 WeakPolarHBondContact O-CB 3.35Å; K143-N146 PolarHBondContact O-N 2.96Å; Q144-N146 VanDerWaalsContact C-N 3.28Å; Q144-N146 PolarHBondContact O-N 3.3Å; N146-L149 PolarHBondContact O-N 3.35Å; N146-S150 WeakPolarHBondContact O-CB 3.29Å; N146-S150 PolarHBondContact O-N 2.88Å; N146-S150 PolarHBondContact O-OG 2.8Å
147	N	80.1	Confident	85.1	Confident	18 Å²	18	30.9 Å²	30.9	10%	0.096	14%	0.141	C	C	.	.	H	α-helix	trans	-67	-41.8	177.2	-70.5	-12.6	0	0	0	111.9	F95 K143 Q144 L145 S150 S151 I206 E248 Y250	F95-N147 HydrophobicContact CD1-CB 4.28Å; F95-N147 HydrophobicContact CE1-CB 4.04Å; K143-N147 PolarHBondContact O-N 3.38Å; Q144-N147 PolarHBondContact O-N 2.78Å; Q144-N147 VanDerWaalsContact O-N 3.17Å; L145-N147 VanDerWaalsContact C-N 3.35Å; L145-N147 PolarHBondContact O-N 2.98Å; N147-S150 WeakPolarHBondContact O-CB 3.28Å; N147-S150 PolarHBondContact O-N 3.4Å; N147-S151 PolarHBondContact O-N 3.39Å; N147-I206 HydrophobicContact CB-CD1 4.33Å; N147-E248 PolarHBondContact ND2-OE2 2.89Å; N147-Y250 HydrophobicContact CB-CE1 4.06Å; N147-Y250 PolarHBondContact ND2-OH 3Å
148	T	85.5	Confident	85.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.7	-50.2	174.1	-66.1	0	0	0	0	111.4	Q144 L145 S150 S151 L152 A203 L205	Q144-T148 WeakPolarHBondContact O-CB 3.17Å; Q144-T148 PolarHBondContact O-N 3.25Å; Q144-T148 PolarHBondContact O-OG1 2.88Å; Q144-T148 VanDerWaalsContact O-OG1 3.12Å; L145-T148 PolarHBondContact O-N 2.95Å; T148-S150 VanDerWaalsContact C-N 3.34Å; T148-S150 PolarHBondContact O-N 2.86Å; T148-S151 PolarHBondContact O-N 2.92Å; T148-S151 VanDerWaalsContact O-N 3.15Å; T148-L152 VanDerWaalsContact O-CB 3.22Å; T148-L152 WeakPolarHBondContact O-CB 3.44Å; T148-L152 PolarHBondContact O-N 3Å; T148-A203 WeakPolarHBondContact CB-O 3.5Å; T148-A203 PolarHBondContact OG1-O 2.94Å; T148-L205 WeakPolarHBondContact CG2-O 3.27Å; T148-L205 PolarHBondContact OG1-O 3.49Å
149	L	87.4	Confident	85.5	Confident	22 Å²	22	33.1 Å²	33.1	12%	0.115	15%	0.151	C	C	.	.	H	α-helix	trans	-63.2	-38.9	179.3	-72.8	175.8	0	0	0	112.4	I136 L145 N146 S151 L152 I153 I165	I136-L149 HydrophobicContact CD1-CD2 3.63Å; I136-L149 HydrophobicContact CD1-CG 4.48Å; L145-L149 HydrophobicContact CD1-CD1 4Å; L145-L149 HydrophobicContact CD1-CG 3.97Å; L145-L149 HydrophobicContact CG-CD1 3.88Å; L145-L149 HydrophobicContact CG-CG 4.27Å; L145-L149 WeakPolarHBondContact O-CB 3.26Å; L145-L149 VanDerWaalsContact O-CG 3.29Å; L145-L149 WeakPolarHBondContact O-CG 3.49Å; L145-L149 PolarHBondContact O-N 3.49Å; N146-L149 PolarHBondContact O-N 3.35Å; L149-S151 PolarHBondContact O-N 3.23Å; L149-S151 VanDerWaalsContact O-N 3.15Å; L149-L152 PolarHBondContact O-N 3.48Å; L149-I153 HydrophobicContact CB-CD1 4.02Å; L149-I153 HydrophobicContact CB-CG1 4.48Å; L149-I153 HydrophobicContact CD2-CD1 4.32Å; L149-I153 HydrophobicContact CD2-CG1 4.37Å; L149-I153 WeakPolarHBondContact O-CB 3.35Å; L149-I153 VanDerWaalsContact O-CG1 3.22Å; L149-I153 WeakPolarHBondContact O-CG1 3.5Å; L149-I153 PolarHBondContact O-N 2.64Å; L149-I165 HydrophobicContact CD2-CD1 3.9Å; L149-I165 HydrophobicContact CD2-CG2 4.25Å
150	S	82.6	Confident	86	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.007	16%	0.16	C	C	.	.	H	α-helix	trans	-57.6	-28.2	176.3	-67.2	0	0	0	0	112.9	N146 N147 T148 P154	N146-S150 WeakPolarHBondContact O-CB 3.29Å; N146-S150 PolarHBondContact O-N 2.88Å; N146-S150 PolarHBondContact O-OG 2.8Å; N147-S150 WeakPolarHBondContact O-CB 3.28Å; N147-S150 PolarHBondContact O-N 3.4Å; T148-S150 VanDerWaalsContact C-N 3.34Å; T148-S150 PolarHBondContact O-N 2.86Å; S150-P154 VanDerWaalsContact O-CD 3.31Å; S150-P154 WeakPolarHBondContact O-CD 3.3Å; S150-P154 WeakPolarHBondContact O-CG 3.47Å
151	S	83.3	Confident	86.7	Confident	7 Å²	7	30.1 Å²	30.1	5%	0.049	14%	0.135	C	C	.	.	H	α-helix	trans	-97.3	-43.5	177.3	-173.1	0	0	0	0	112.6	M89 N147 T148 L149 P154 V155 P207	M89-S151 WeakPolarHBondContact CE-O 3.3Å; N147-S151 PolarHBondContact O-N 3.39Å; T148-S151 PolarHBondContact O-N 2.92Å; T148-S151 VanDerWaalsContact O-N 3.15Å; L149-S151 PolarHBondContact O-N 3.23Å; L149-S151 VanDerWaalsContact O-N 3.15Å; S151-P154 WeakPolarHBondContact O-CD 3.48Å; S151-V155 WeakPolarHBondContact O-CG2 3.14Å; S151-V155 PolarHBondContact O-N 3.39Å; S151-P207 PolarHBondContact OG-O 3.45Å
152	L	88.4	Confident	87.2	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.2	-45	-177.4	178.3	62.6	0	0	0	112.1	I134 I136 T148 L149 V155 L156 P207	I134-L152 HydrophobicContact CG2-CD2 4.18Å; I136-L152 HydrophobicContact CD1-CD2 4.28Å; T148-L152 VanDerWaalsContact O-CB 3.22Å; T148-L152 WeakPolarHBondContact O-CB 3.44Å; T148-L152 PolarHBondContact O-N 3Å; L149-L152 PolarHBondContact O-N 3.48Å; L152-V155 WeakPolarHBondContact O-CA 3.36Å; L152-V155 WeakPolarHBondContact O-CB 3.16Å; L152-V155 PolarHBondContact O-N 3.2Å; L152-L156 HydrophobicContact CD1-CD1 4.24Å; L152-L156 HydrophobicContact CD1-CD2 4.08Å; L152-L156 HydrophobicContact CD1-CG 3.98Å; L152-L156 HydrophobicContact CG-CD1 3.95Å; L152-L156 HydrophobicContact CG-CG 4.13Å; L152-L156 WeakPolarHBondContact O-CG 3.36Å; L152-L156 PolarHBondContact O-N 3.03Å; L152-P207 HydrophobicContact CB-CG 4.01Å; L152-P207 HydrophobicContact CD1-CG 3.96Å
153	I	89.4	Confident	87.8	Confident	4 Å²	4	20.9 Å²	20.9	2%	0.021	10%	0.103	C	C	.	.	H	α-helix	trans	-59.7	-49.7	-176.2	-63.4	168.8	0	0	0	111.3	T105 Q109 L149 V155 L156 Q157 I165	T105-I153 HydrophobicContact CG2-CB 3.88Å; T105-I153 HydrophobicContact CG2-CG2 3.39Å; Q109-I153 HydrophobicContact CG-CG2 4.44Å; Q109-I153 VanDerWaalsContact NE2-CD1 3.26Å; L149-I153 HydrophobicContact CB-CD1 4.02Å; L149-I153 HydrophobicContact CB-CG1 4.48Å; L149-I153 HydrophobicContact CD2-CD1 4.32Å; L149-I153 HydrophobicContact CD2-CG1 4.37Å; L149-I153 WeakPolarHBondContact O-CB 3.35Å; L149-I153 VanDerWaalsContact O-CG1 3.22Å; L149-I153 WeakPolarHBondContact O-CG1 3.5Å; L149-I153 PolarHBondContact O-N 2.64Å; I153-V155 VanDerWaalsContact C-N 3.29Å; I153-V155 PolarHBondContact O-N 3.48Å; I153-L156 PolarHBondContact O-N 2.89Å; I153-Q157 HydrophobicContact CG2-CG 4.28Å; I153-Q157 WeakPolarHBondContact O-CB 3.22Å; I153-Q157 WeakPolarHBondContact O-CG 3.4Å; I153-Q157 PolarHBondContact O-N 3.14Å; I153-I165 HydrophobicContact CD1-CD1 4.41Å; I153-I165 HydrophobicContact CG1-CD1 3.93Å
154	P	86.7	Confident	88.4	Confident	14 Å²	14	17.8 Å²	17.8	9%	0.091	9%	0.089	C	C	.	.	H	α-helix	trans	-57.1	-36	172.5	-26.4	33.1	0	0	0	114.4	T105 S150 S151 R158	T105-P154 HydrophobicContact CG2-CG 3.85Å; S150-P154 VanDerWaalsContact O-CD 3.31Å; S150-P154 WeakPolarHBondContact O-CD 3.3Å; S150-P154 WeakPolarHBondContact O-CG 3.47Å; S151-P154 WeakPolarHBondContact O-CD 3.48Å; P154-R158 VanDerWaalsContact CB-NH1 3.27Å; P154-R158 WeakPolarHBondContact O-CB 3.45Å; P154-R158 WeakPolarHBondContact O-CG 3.44Å; P154-R158 PolarHBondContact O-N 2.68Å; P154-R158 PolarHBondContact O-NH1 3.17Å
155	V	88.2	Confident	88.8	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.9	-53.4	173.7	174.4	0	0	0	0	110.5	M89 S151 L152 I153 Q157 R158 Q159 P207 D210	M89-V155 HydrophobicContact CE-CB 4.43Å; M89-V155 HydrophobicContact CE-CG2 3.07Å; S151-V155 WeakPolarHBondContact O-CG2 3.14Å; S151-V155 PolarHBondContact O-N 3.39Å; L152-V155 WeakPolarHBondContact O-CA 3.36Å; L152-V155 WeakPolarHBondContact O-CB 3.16Å; L152-V155 PolarHBondContact O-N 3.2Å; I153-V155 VanDerWaalsContact C-N 3.29Å; I153-V155 PolarHBondContact O-N 3.48Å; V155-Q157 PolarHBondContact O-N 2.9Å; V155-R158 PolarHBondContact O-N 2.85Å; V155-R158 VanDerWaalsContact O-N 3.16Å; V155-Q159 HydrophobicContact CG1-CG 4.46Å; V155-Q159 WeakPolarHBondContact O-CG 3.28Å; V155-Q159 PolarHBondContact O-N 2.66Å; V155-P207 HydrophobicContact CG2-CB 4.27Å; V155-P207 HydrophobicContact CG2-CG 4.14Å; V155-D210 HydrophobicContact CG1-CB 4.07Å; V155-D210 HydrophobicContact CG2-CB 4.25Å
156	L	91.4	Very high	89.2	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.2	-39.8	-178	-61.1	175.7	0	0	0	111.2	I134 L152 I153 Q159 H160 L161 Y163 I165 H214	I134-L156 HydrophobicContact CD1-CD2 4.19Å; I134-L156 HydrophobicContact CG1-CD1 4.06Å; L152-L156 HydrophobicContact CD1-CD1 4.24Å; L152-L156 HydrophobicContact CD1-CD2 4.08Å; L152-L156 HydrophobicContact CD1-CG 3.98Å; L152-L156 HydrophobicContact CG-CD1 3.95Å; L152-L156 HydrophobicContact CG-CG 4.13Å; L152-L156 WeakPolarHBondContact O-CG 3.36Å; L152-L156 PolarHBondContact O-N 3.03Å; I153-L156 PolarHBondContact O-N 2.89Å; L156-Q159 PolarHBondContact O-N 2.78Å; L156-H160 PolarHBondContact O-N 2.78Å; L156-L161 HydrophobicContact CD2-CD1 3.83Å; L156-L161 PolarHBondContact O-N 2.71Å; L156-Y163 HydrophobicContact CB-CD1 3.77Å; L156-Y163 HydrophobicContact CB-CE1 3.39Å; L156-Y163 HydrophobicContact CD1-CD1 4.17Å; L156-Y163 HydrophobicContact CD1-CD2 3.93Å; L156-Y163 HydrophobicContact CD1-CE1 4.05Å; L156-Y163 HydrophobicContact CD1-CE2 3.83Å; L156-Y163 HydrophobicContact CD1-CG 4.1Å; L156-Y163 HydrophobicContact CG-CD1 4.5Å; L156-Y163 HydrophobicContact CG-CE1 4.35Å; L156-I165 HydrophobicContact CD1-CD1 4.37Å; L156-H214 HydrophobicContact CD2-CB 3.45Å; L156-H214 VanDerWaalsContact CD2-CB 3.45Å
157	Q	90.5	Very high	89.6	Confident	1 Å²	1	18 Å²	18	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-66.2	-43.5	177	-71.2	-176.5	-20.5	0	0	112.3	L83 Y107 W115 I153 V155 Q159 H160	L83-Q157 HydrophobicContact CD2-CB 3.96Å; Y107-Q157 PolarHBondContact O-NE2 3.04Å; W115-Q157 HydrophobicContact CD2-CG 3.79Å; W115-Q157 HydrophobicContact CE3-CB 4.49Å; W115-Q157 HydrophobicContact CE3-CG 3.9Å; W115-Q157 HydrophobicContact CG-CG 4.43Å; W115-Q157 HydrophobicContact CH2-CB 3.89Å; W115-Q157 HydrophobicContact CH2-CG 3.97Å; W115-Q157 HydrophobicContact CZ2-CB 4.13Å; W115-Q157 HydrophobicContact CZ2-CG 3.88Å; W115-Q157 HydrophobicContact CZ3-CB 4.1Å; W115-Q157 HydrophobicContact CZ3-CG 4Å; I153-Q157 HydrophobicContact CG2-CG 4.28Å; I153-Q157 WeakPolarHBondContact O-CB 3.22Å; I153-Q157 WeakPolarHBondContact O-CG 3.4Å; I153-Q157 PolarHBondContact O-N 3.14Å; V155-Q157 PolarHBondContact O-N 2.9Å; Q157-Q159 PolarHBondContact O-N 3.45Å; Q157-H160 PolarHBondContact O-CD2 3.17Å; Q157-H160 VanDerWaalsContact O-CD2 3.29Å; Q157-H160 PolarHBondContact O-N 2.82Å
158	R	89.1	Confident	90.1	Very high	13 Å²	13	18.1 Å²	18.1	5%	0.049	9%	0.092	C	C	.	.	H	α-helix	trans	-67.1	-23.6	176	-73.9	-169.1	-65.3	-83.2	-1.4	113.8	L83 K84 P154 V155 H160 D210	L83-R158 VanDerWaalsContact O-CA 3.25Å; L83-R158 WeakPolarHBondContact O-CA 3.28Å; L83-R158 WeakPolarHBondContact O-CG 3.4Å; K84-R158 VanDerWaalsContact O-CD 3.26Å; K84-R158 WeakPolarHBondContact O-CD 3.13Å; P154-R158 VanDerWaalsContact CB-NH1 3.27Å; P154-R158 WeakPolarHBondContact O-CB 3.45Å; P154-R158 WeakPolarHBondContact O-CG 3.44Å; P154-R158 PolarHBondContact O-N 2.68Å; P154-R158 PolarHBondContact O-NH1 3.17Å; V155-R158 PolarHBondContact O-N 2.85Å; V155-R158 VanDerWaalsContact O-N 3.16Å; R158-H160 PolarHBondContact O-N 3.12Å; R158-D210 WeakPolarHBondContact CD-OD2 3.37Å; R158-D210 IonicContact CZ-OD2 3.66Å; R158-D210 IonicContact NE-OD2 2.74Å; R158-D210 PolarHBondContact NE-OD2 3.05Å; R158-D210 IonicContact NH2-OD2 3.74Å
159	Q	90.9	Very high	90.2	Very high	41 Å²	41	22.4 Å²	22.4	19%	0.192	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	2.2	172.5	-67.6	-178.2	0.3	0	0	113	V155 L156 Q157 L161 D210 I212	V155-Q159 HydrophobicContact CG1-CG 4.46Å; V155-Q159 WeakPolarHBondContact O-CG 3.28Å; V155-Q159 PolarHBondContact O-N 2.66Å; L156-Q159 PolarHBondContact O-N 2.78Å; Q157-Q159 PolarHBondContact O-N 3.45Å; Q159-L161 HydrophobicContact CB-CD1 4.05Å; Q159-L161 HydrophobicContact CB-CG 3.83Å; Q159-L161 PolarHBondContact O-N 2.97Å; Q159-L161 VanDerWaalsContact O-N 3.08Å; Q159-D210 PolarHBondContact NE2-O 2.9Å; Q159-I212 PolarHBondContact NE2-O 3.22Å
160	H	91.9	Very high	89.8	Confident	84 Å²	84	23 Å²	23	39%	0.389	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	29.3	179.9	-60.2	172	0	0	0	113.7	F117 L156 Q157 R158	F117-H160 HydrophobicContact CB-CB 3.88Å; F117-H160 AromaticContact CD2-CD2 3.96Å; F117-H160 HydrophobicContact CG-CB 4.35Å; F117-H160 AromaticContact CG-CD2 3.86Å; F117-H160 AromaticContact CG-CG 3.95Å; L156-H160 PolarHBondContact O-N 2.78Å; Q157-H160 PolarHBondContact O-CD2 3.17Å; Q157-H160 VanDerWaalsContact O-CD2 3.29Å; Q157-H160 PolarHBondContact O-N 2.82Å; R158-H160 PolarHBondContact O-N 3.12Å
161	L	92.9	Very high	89.6	Confident	27 Å²	27	32.8 Å²	32.8	14%	0.141	16%	0.157	C	C	.	.			trans	-72.1	139.8	-178.4	-63.5	172.7	0	0	0	110.1	V132 L156 Q159 Y163 H214	V132-L161 HydrophobicContact CG2-CD2 4.37Å; L156-L161 HydrophobicContact CD2-CD1 3.83Å; L156-L161 PolarHBondContact O-N 2.71Å; Q159-L161 HydrophobicContact CB-CD1 4.05Å; Q159-L161 HydrophobicContact CB-CG 3.83Å; Q159-L161 PolarHBondContact O-N 2.97Å; Q159-L161 VanDerWaalsContact O-N 3.08Å; L161-Y163 HydrophobicContact CB-CD1 4.07Å; L161-Y163 WeakPolarHBondContact O-CD1 3.43Å; L161-H214 VanDerWaalsContact CD1-C 3.44Å; L161-H214 HydrophobicContact CD1-CB 3.83Å; L161-H214 VanDerWaalsContact CD1-O 3.25Å; L161-H214 WeakPolarHBondContact CD1-O 3.48Å
162	C	94.9	Very high	89.5	Confident	20 Å²	20	34.6 Å²	34.6	14%	0.135	18%	0.177	C	C	.	.			trans	-82.8	116.4	155.9	173	0	0	0	0	108.5	C65 W115 M116 G131 V132	C65-C162 WeakPolarHBondContact CA-SG 3.36Å; C65-C162 HydrophobicContact CB-CB 3.76Å; C65-C162 WeakPolarHBondContact CB-SG 3.5Å; C65-C162 WeakPolarHBondContact SG-CB 3.33Å; C65-C162 CovalentContact SG-SG 2.01Å; C65-C162 PolarHBondContact SG-SG 3.49Å; W115-C162 WeakPolarHBondContact O-CA 3.33Å; M116-C162 HydrophobicContact CB-CB 3.77Å; G131-C162 WeakPolarHBondContact CA-O 3.17Å; V132-C162 PolarHBondContact N-O 3.06Å
163	Y	95	Very high	88.9	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	165.4	-176.7	68.3	-94.5	0	0	0	112.7	Q109 S114 W115 V132 L156 L161 I165	Q109-Y163 PolarHBondContact NE2-OH 3.17Å; S114-Y163 WeakPolarHBondContact CA-O 3.1Å; W115-Y163 HydrophobicContact CB-CE1 3.93Å; W115-Y163 HydrophobicContact CB-CE2 4.26Å; W115-Y163 HydrophobicContact CD2-CE1 4.32Å; W115-Y163 HydrophobicContact CE3-CD1 4.37Å; W115-Y163 AromaticContact CE3-CE1 3.72Å; W115-Y163 HydrophobicContact CE3-CE1 3.72Å; W115-Y163 HydrophobicContact CG-CE1 4.45Å; W115-Y163 PolarHBondContact N-O 3.38Å; W115-Y163 PolarHBondContact O-N 3.1Å; V132-Y163 CarbonylContact O-C 3.58Å; V132-Y163 WeakPolarHBondContact O-CA 3.36Å; V132-Y163 WeakPolarHBondContact O-CB 3.48Å; L156-Y163 HydrophobicContact CB-CD1 3.77Å; L156-Y163 HydrophobicContact CB-CE1 3.39Å; L156-Y163 HydrophobicContact CD1-CD1 4.17Å; L156-Y163 HydrophobicContact CD1-CD2 3.93Å; L156-Y163 HydrophobicContact CD1-CE1 4.05Å; L156-Y163 HydrophobicContact CD1-CE2 3.83Å; L156-Y163 HydrophobicContact CD1-CG 4.1Å; L156-Y163 HydrophobicContact CG-CD1 4.5Å; L156-Y163 HydrophobicContact CG-CE1 4.35Å; L161-Y163 HydrophobicContact CB-CD1 4.07Å; L161-Y163 WeakPolarHBondContact O-CD1 3.43Å; Y163-I165 HydrophobicContact CD2-CD1 4.4Å; Y163-I165 HydrophobicContact CD2-CG1 3.84Å; Y163-I165 HydrophobicContact CE2-CD1 3.85Å; Y163-I165 HydrophobicContact CE2-CG1 3.77Å
164	R	94.4	Very high	88.3	Confident	32 Å²	32	43 Å²	43	12%	0.121	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	133.2	164.1	-174.8	170	-176.7	170.9	-7.9	111.1	D112 G113 S114 V132 I134 F166 R192 F193	D112-R164 PolarHBondContact O-NE 2.82Å; D112-R164 VanDerWaalsContact O-NE 3.14Å; D112-R164 IonicContact OD2-CZ 3.46Å; D112-R164 IonicContact OD2-NE 2.68Å; D112-R164 IonicContact OD2-NH1 3.41Å; D112-R164 PolarHBondContact OD2-NH1 2.69Å; D112-R164 IonicContact OD2-NH2 3.68Å; G113-R164 WeakPolarHBondContact O-CA 3.34Å; S114-R164 WeakPolarHBondContact OG-CD 3.39Å; S114-R164 VanDerWaalsContact OG-CG 3.3Å; S114-R164 WeakPolarHBondContact OG-CG 3.26Å; V132-R164 PolarHBondContact O-N 3.34Å; I134-R164 PolarHBondContact N-O 2.83Å; R164-F166 HydrophobicContact CB-CE2 3.88Å; R164-F166 HydrophobicContact CB-CZ 4.29Å; R164-F166 HydrophobicContact CG-CD2 4.4Å; R164-F166 HydrophobicContact CG-CE1 4.49Å; R164-F166 HydrophobicContact CG-CE2 3.75Å; R164-F166 HydrophobicContact CG-CZ 3.81Å; R164-F166 WeakPolarHBondContact O-CD2 3.06Å; R164-R192 PolarHBondContact NH1-O 2.98Å; R164-F193 HydrophobicContact CB-CB 4.45Å; R164-F193 HydrophobicContact CB-CD1 3.87Å; R164-F193 HydrophobicContact CB-CD2 4.3Å; R164-F193 HydrophobicContact CB-CE1 4.16Å; R164-F193 HydrophobicContact CB-CG 3.95Å
165	I	94.1	Very high	87.7	Confident	19 Å²	19	50 Å²	50	10%	0.097	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.6	178.7	-57.1	177.2	0	0	0	110.2	G113 I134 I136 L149 I153 L156 Y163 V167	G113-I165 PolarHBondContact O-N 3.14Å; I134-I165 HydrophobicContact CB-CG1 4.15Å; I134-I165 HydrophobicContact CG1-CG1 4.48Å; I134-I165 CarbonylContact O-C 3.45Å; I134-I165 WeakPolarHBondContact O-CA 3.03Å; I136-I165 HydrophobicContact CD1-CG2 3.76Å; I136-I165 HydrophobicContact CG1-CG2 4.27Å; L149-I165 HydrophobicContact CD2-CD1 3.9Å; L149-I165 HydrophobicContact CD2-CG2 4.25Å; I153-I165 HydrophobicContact CD1-CD1 4.41Å; I153-I165 HydrophobicContact CG1-CD1 3.93Å; L156-I165 HydrophobicContact CD1-CD1 4.37Å; Y163-I165 HydrophobicContact CD2-CD1 4.4Å; Y163-I165 HydrophobicContact CD2-CG1 3.84Å; Y163-I165 HydrophobicContact CE2-CD1 3.85Å; Y163-I165 HydrophobicContact CE2-CG1 3.77Å; I165-V167 HydrophobicContact CG2-CG2 4.38Å
166	F	92.9	Very high	87.1	Confident	19 Å²	19	52.9 Å²	52.9	8%	0.083	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	113.1	176	-64.1	-89	0	0	0	109.4	A133 I134 I135 I136 R164 I168 A189 R192 F193	A133-F166 HydrophobicContact CB-CD2 4.39Å; A133-F166 HydrophobicContact CB-CE2 4.2Å; I134-F166 PolarHBondContact O-N 2.86Å; I135-F166 CarbonylContact C-O 3.27Å; I135-F166 WeakPolarHBondContact CA-O 3.27Å; I135-F166 HydrophobicContact CG1-CB 4.41Å; I136-F166 PolarHBondContact N-O 3.22Å; R164-F166 HydrophobicContact CB-CE2 3.88Å; R164-F166 HydrophobicContact CB-CZ 4.29Å; R164-F166 HydrophobicContact CG-CD2 4.4Å; R164-F166 HydrophobicContact CG-CE1 4.49Å; R164-F166 HydrophobicContact CG-CE2 3.75Å; R164-F166 HydrophobicContact CG-CZ 3.81Å; R164-F166 WeakPolarHBondContact O-CD2 3.06Å; F166-I168 HydrophobicContact CB-CD1 4.23Å; F166-A189 HydrophobicContact CD1-CB 4.1Å; F166-A189 HydrophobicContact CD2-CB 3.75Å; F166-A189 HydrophobicContact CE1-CB 3.94Å; F166-A189 HydrophobicContact CE2-CB 3.56Å; F166-A189 HydrophobicContact CG-CB 4.01Å; F166-A189 HydrophobicContact CZ-CB 3.65Å; F166-R192 HydrophobicContact CE1-CB 4.23Å; F166-R192 HydrophobicContact CZ-CB 4.47Å; F166-F193 HydrophobicContact CE2-CB 4.26Å; F166-F193 HydrophobicContact CZ-CB 3.82Å
167	V	92.8	Very high	86.4	Confident	55 Å²	55	56.6 Å²	56.6	33%	0.333	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	117.5	173.8	-178.3	0	0	0	0	108.7	I136 C138 W142 L145 I165	I136-V167 CarbonylContact O-C 3.56Å; I136-V167 WeakPolarHBondContact O-CA 3.4Å; C138-V167 HydrophobicContact CB-CG1 3.72Å; W142-V167 HydrophobicContact CH2-CG1 4.47Å; L145-V167 HydrophobicContact CD2-CG1 3.68Å; L145-V167 HydrophobicContact CD2-CG2 4.01Å; I165-V167 HydrophobicContact CG2-CG2 4.38Å
168	I	89.8	Confident	85.8	Confident	21 Å²	21	59.3 Å²	59.3	11%	0.108	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	105.1	-178.4	-46.7	-57.1	0	0	0	108.9	I135 I136 C138 F166 L181 V184 G185	I135-I168 HydrophobicContact CG2-CG1 3.79Å; I136-I168 PolarHBondContact O-N 3.04Å; C138-I168 PolarHBondContact N-O 2.78Å; F166-I168 HydrophobicContact CB-CD1 4.23Å; I168-L181 HydrophobicContact CG2-CB 4.06Å; I168-L181 HydrophobicContact CG2-CD2 4.02Å; I168-V184 HydrophobicContact CG2-CG1 4.41Å; I168-G185 VanDerWaalsContact CD1-CA 3.45Å
169	E	87.4	Confident	85	Confident	90 Å²	90	60.3 Å²	60.3	42%	0.421	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130.2	179.9	-171.5	175.8	-149.5	0	0	112	C138 W142 K171	C138-E169 WeakPolarHBondContact O-CA 3.44Å; W142-E169 PolarHBondContact NE1-OE1 2.77Å; W142-E169 VanDerWaalsContact NE1-OE1 3.13Å; E169-K171 PolarHBondContact O-N 2.79Å
170	Q	78.3	Confident	84.3	Confident	34 Å²	34	66.7 Å²	66.7	16%	0.159	35%	0.353	C	S	.	.			trans	-80.2	114.4	168.9	-168.4	173.9	-59	0	0	110.8	C138 G174 I175 L176 L181	C138-Q170 PolarHBondContact O-N 2.66Å; Q170-G174 PolarHBondContact NE2-O 3.03Å; Q170-I175 PolarHBondContact NE2-O 3.35Å; Q170-L176 HydrophobicContact CB-CD1 4.27Å; Q170-L181 HydrophobicContact CB-CD1 3.74Å; Q170-L181 HydrophobicContact CB-CD2 3.97Å; Q170-L181 HydrophobicContact CB-CG 4.46Å; Q170-L181 HydrophobicContact CG-CD1 4.39Å; Q170-L181 HydrophobicContact CG-CD2 4.32Å
171	K	80	Confident	83.7	Confident	207 Å²	207	63.6 Å²	63.6	90%	0.9	34%	0.339	S	S	*	.			trans	-69.9	135	171	-171.1	173.3	-177.5	173.2	0	111.5	E169	E169-K171 PolarHBondContact O-N 2.79Å
172	G	79.6	Confident	83.2	Confident	46 Å²	46	62.7 Å²	62.7	47%	0.474	33%	0.334	S	S	.	.	S	Bend	trans	92.7	-178.3	171	0	0	0	0	0	114.4
173	T	77.1	Confident	82.3	Confident	134 Å²	134	62.9 Å²	62.9	82%	0.822	33%	0.334	S	S	*	.	S	Bend	trans	-100.6	-2	-170.6	56	0	0	0	0	114.3	R139	R139-T173 PolarHBondContact NH2-O 3.34Å
174	G	75.6	Confident	81.6	Confident	45 Å²	45	65.8 Å²	65.8	46%	0.464	35%	0.352	S	S	.	.	S	Bend	trans	-60	167.9	178.6	0	0	0	0	0	112.8	R139 Q170 L176	R139-G174 PolarHBondContact NH1-O 2.63Å; R139-G174 PolarHBondContact NH2-O 3.11Å; Q170-G174 PolarHBondContact NE2-O 3.03Å; G174-L176 PolarHBondContact O-N 2.93Å
175	I	75	Confident	81.1	Confident	161 Å²	161	64.3 Å²	64.3	83%	0.826	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-55.7	137.5	-177.8	-60.6	171	0	0	0	110.5	Q170 N177	Q170-I175 PolarHBondContact NE2-O 3.35Å; I175-N177 PolarHBondContact O-N 3.36Å
176	L	75.8	Confident	80.6	Confident	62 Å²	62	63.7 Å²	63.7	33%	0.325	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-67.1	120.2	176.8	179.4	67.8	0	0	0	109.4	V137 R139 Q170 G174 K178 L181	V137-L176 HydrophobicContact CG1-CD1 4.47Å; R139-L176 HydrophobicContact CB-CD1 3.81Å; R139-L176 HydrophobicContact CG-CD1 4.44Å; Q170-L176 HydrophobicContact CB-CD1 4.27Å; G174-L176 PolarHBondContact O-N 2.93Å; L176-K178 HydrophobicContact CD2-CG 3.78Å; L176-K178 HydrophobicContact CG-CG 4.01Å; L176-L181 HydrophobicContact CD1-CD1 3.5Å
177	N	76.9	Confident	80.1	Confident	78 Å²	78	65.6 Å²	65.6	42%	0.417	35%	0.353	S	S	.	.			trans	-108.1	85.8	172.3	-171.8	-23.8	0	0	0	109.6	I175 A179 R180 L181	I175-N177 PolarHBondContact O-N 3.36Å; N177-A179 PolarHBondContact O-N 3.31Å; N177-R180 HydrophobicContact CB-CB 4Å; N177-R180 VanDerWaalsContact CG-CB 3.42Å; N177-R180 PolarHBondContact O-N 3.38Å; N177-R180 WeakPolarHBondContact OD1-CB 3.28Å; N177-R180 PolarHBondContact OD1-N 2.89Å; N177-L181 WeakPolarHBondContact O-CG 3.47Å; N177-L181 PolarHBondContact O-N 2.97Å; N177-L181 VanDerWaalsContact O-N 3.09Å
178	K	77.4	Confident	79.9	Confident	57 Å²	57	65.7 Å²	65.7	25%	0.248	35%	0.35	C	S	.	.	H	α-helix	trans	-55	-48.2	-177.9	-71.2	-170.2	174.6	-168.2	0	112.2	V137 L176 R180 L181 M182 D202	V137-K178 HydrophobicContact CG1-CG 4.5Å; L176-K178 HydrophobicContact CD2-CG 3.78Å; L176-K178 HydrophobicContact CG-CG 4.01Å; K178-R180 VanDerWaalsContact C-N 3.35Å; K178-R180 PolarHBondContact O-N 3.46Å; K178-L181 PolarHBondContact O-N 2.81Å; K178-L181 VanDerWaalsContact O-N 3.12Å; K178-M182 WeakPolarHBondContact O-CG 3.48Å; K178-M182 PolarHBondContact O-N 3.47Å; K178-D202 IonicContact NZ-OD1 3.03Å; K178-D202 PolarHBondContact NZ-OD1 3.15Å; K178-D202 IonicContact NZ-OD2 2.66Å; K178-D202 PolarHBondContact NZ-OD2 3.26Å
179	A	73.2	Confident	79.8	Confident	35 Å²	35	64.7 Å²	64.7	29%	0.289	35%	0.345	S	S	.	.	H	α-helix	trans	-58.6	-45.3	-179.1	0	0	0	0	0	112	N177 L181 M182 N183	N177-A179 PolarHBondContact O-N 3.31Å; A179-L181 VanDerWaalsContact C-N 3.33Å; A179-L181 PolarHBondContact O-N 3.16Å; A179-M182 WeakPolarHBondContact O-CB 3.25Å; A179-M182 PolarHBondContact O-N 3.33Å; A179-N183 PolarHBondContact O-N 3.43Å
180	R	74.8	Confident	79.6	Confident	175 Å²	175	62.9 Å²	62.9	66%	0.66	33%	0.334	S	S	*	.	H	α-helix	trans	-62.6	-39.9	176.3	-173.4	177.8	-178.3	-178.1	1.7	112.2	N177 K178 N183 V184	N177-R180 HydrophobicContact CB-CB 4Å; N177-R180 VanDerWaalsContact CG-CB 3.42Å; N177-R180 PolarHBondContact O-N 3.38Å; N177-R180 WeakPolarHBondContact OD1-CB 3.28Å; N177-R180 PolarHBondContact OD1-N 2.89Å; K178-R180 VanDerWaalsContact C-N 3.35Å; K178-R180 PolarHBondContact O-N 3.46Å; R180-N183 PolarHBondContact O-N 2.89Å; R180-V184 VanDerWaalsContact O-CG2 3.29Å; R180-V184 WeakPolarHBondContact O-CG2 3.4Å; R180-V184 PolarHBondContact O-N 3.43Å
181	L	80.8	Confident	80	Confident	18 Å²	18	67.1 Å²	67.1	9%	0.094	35%	0.352	C	S	.	.	H	α-helix	trans	-69.5	-35.9	178.3	-64.4	164.2	0	0	0	111.8	V137 I168 Q170 L176 N177 K178 A179 V184 G185	V137-L181 HydrophobicContact CG1-CB 3.86Å; V137-L181 HydrophobicContact CG1-CD1 3.47Å; V137-L181 VanDerWaalsContact CG1-CD1 3.47Å; V137-L181 HydrophobicContact CG1-CG 4.33Å; V137-L181 HydrophobicContact CG2-CB 3.96Å; I168-L181 HydrophobicContact CG2-CB 4.06Å; I168-L181 HydrophobicContact CG2-CD2 4.02Å; Q170-L181 HydrophobicContact CB-CD1 3.74Å; Q170-L181 HydrophobicContact CB-CD2 3.97Å; Q170-L181 HydrophobicContact CB-CG 4.46Å; Q170-L181 HydrophobicContact CG-CD1 4.39Å; Q170-L181 HydrophobicContact CG-CD2 4.32Å; L176-L181 HydrophobicContact CD1-CD1 3.5Å; N177-L181 WeakPolarHBondContact O-CG 3.47Å; N177-L181 PolarHBondContact O-N 2.97Å; N177-L181 VanDerWaalsContact O-N 3.09Å; K178-L181 PolarHBondContact O-N 2.81Å; K178-L181 VanDerWaalsContact O-N 3.12Å; A179-L181 VanDerWaalsContact C-N 3.33Å; A179-L181 PolarHBondContact O-N 3.16Å; L181-V184 PolarHBondContact O-N 3.31Å; L181-G185 PolarHBondContact O-N 2.03Å
182	M	81.6	Confident	80.5	Confident	9 Å²	9	61.1 Å²	61.1	4%	0.044	32%	0.324	C	S	.	.	H	α-helix	trans	-60.5	-47.5	171.8	-70.7	173.9	179.6	0	0	110.9	V137 K178 A179 V184 G185 F186 F200 F288	V137-M182 HydrophobicContact CG2-CE 4.27Å; V137-M182 HydrophobicContact CG2-CG 3.65Å; K178-M182 WeakPolarHBondContact O-CG 3.48Å; K178-M182 PolarHBondContact O-N 3.47Å; A179-M182 WeakPolarHBondContact O-CB 3.25Å; A179-M182 PolarHBondContact O-N 3.33Å; M182-V184 PolarHBondContact O-N 3.33Å; M182-G185 PolarHBondContact O-N 3.38Å; M182-F186 PolarHBondContact O-N 2.91Å; M182-F200 HydrophobicContact CB-CD1 3.57Å; M182-F200 HydrophobicContact CB-CE1 3.7Å; M182-F200 HydrophobicContact CB-CG 4.34Å; M182-F200 HydrophobicContact CE-CB 4.07Å; M182-F200 HydrophobicContact CG-CB 4.25Å; M182-F200 HydrophobicContact CG-CD1 3.63Å; M182-F200 HydrophobicContact CG-CE1 4.29Å; M182-F200 HydrophobicContact CG-CG 4.15Å; M182-F200 WeakPolarHBondContact O-CE1 2.93Å; M182-F200 HydrophobicContact SD-CB 3.95Å; M182-F200 HydrophobicContact SD-CD1 4.24Å; M182-F200 HydrophobicContact SD-CG 4.15Å; M182-F288 HydrophobicContact SD-CD1 4.42Å; M182-F288 HydrophobicContact SD-CE1 4.21Å
183	N	75.3	Confident	81.1	Confident	23 Å²	23	59 Å²	59	12%	0.123	30%	0.301	C	S	.	.	H	α-helix	trans	-60.9	-46.7	176.3	-71.1	3.5	0	0	0	111.9	A179 R180 G185 F186 I187 C309 E312	A179-N183 PolarHBondContact O-N 3.43Å; R180-N183 PolarHBondContact O-N 2.89Å; N183-G185 VanDerWaalsContact C-N 3.28Å; N183-G185 PolarHBondContact O-N 3.46Å; N183-F186 WeakPolarHBondContact O-CB 3.41Å; N183-F186 PolarHBondContact O-N 3.48Å; N183-I187 WeakPolarHBondContact O-CG1 3.36Å; N183-I187 PolarHBondContact O-N 3.21Å; N183-C309 PolarHBondContact ND2-SG 2.68Å; N183-C309 PolarHBondContact OD1-SG 3.09Å; N183-E312 PolarHBondContact ND2-OE2 3.02Å
184	V	80.4	Confident	81.7	Confident	62 Å²	62	53.8 Å²	53.8	38%	0.376	27%	0.269	S	S	.	.	H	α-helix	trans	-58.3	-44.6	175.2	168.8	0	0	0	0	110.4	I168 R180 L181 M182 F186 I187 E188	I168-V184 HydrophobicContact CG2-CG1 4.41Å; R180-V184 VanDerWaalsContact O-CG2 3.29Å; R180-V184 WeakPolarHBondContact O-CG2 3.4Å; R180-V184 PolarHBondContact O-N 3.43Å; L181-V184 PolarHBondContact O-N 3.31Å; M182-V184 PolarHBondContact O-N 3.33Å; V184-F186 VanDerWaalsContact C-N 3.32Å; V184-F186 PolarHBondContact O-N 2.85Å; V184-I187 PolarHBondContact O-N 2.84Å; V184-E188 HydrophobicContact CG1-CG 4.24Å; V184-E188 WeakPolarHBondContact O-CB 3.14Å; V184-E188 WeakPolarHBondContact O-CG 2.98Å; V184-E188 PolarHBondContact O-N 2.82Å
185	G	85.3	Confident	82.4	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59	-42.7	176.8	0	0	0	0	0	112.9	I168 L181 M182 N183 E188 A189	I168-G185 VanDerWaalsContact CD1-CA 3.45Å; L181-G185 PolarHBondContact O-N 2.03Å; M182-G185 PolarHBondContact O-N 3.38Å; N183-G185 VanDerWaalsContact C-N 3.28Å; N183-G185 PolarHBondContact O-N 3.46Å; G185-E188 PolarHBondContact O-N 2.74Å; G185-A189 WeakPolarHBondContact O-CB 3.09Å; G185-A189 PolarHBondContact O-N 3.44Å
186	F	82.6	Confident	82.8	Confident	7 Å²	7	47 Å²	47	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-50.9	178.5	-179.8	-86.8	0	0	0	111	I135 M182 N183 V184 E188 A189 R190 F195 V198 F200 V284 L286 I313	I135-F186 HydrophobicContact CD1-CB 4.18Å; M182-F186 PolarHBondContact O-N 2.91Å; N183-F186 WeakPolarHBondContact O-CB 3.41Å; N183-F186 PolarHBondContact O-N 3.48Å; V184-F186 VanDerWaalsContact C-N 3.32Å; V184-F186 PolarHBondContact O-N 2.85Å; F186-E188 VanDerWaalsContact C-N 3.34Å; F186-E188 PolarHBondContact O-N 2.95Å; F186-A189 PolarHBondContact O-N 2.93Å; F186-R190 HydrophobicContact CD1-CG 4.16Å; F186-R190 HydrophobicContact CE1-CG 3.74Å; F186-R190 HydrophobicContact CZ-CG 4.06Å; F186-R190 WeakPolarHBondContact O-CG 3.21Å; F186-R190 PolarHBondContact O-N 2.01Å; F186-F195 HydrophobicContact CD2-CE2 4.12Å; F186-F195 HydrophobicContact CD2-CZ 4.04Å; F186-F195 AromaticContact CE2-CE2 3.66Å; F186-F195 HydrophobicContact CE2-CE2 3.66Å; F186-F195 AromaticContact CE2-CZ 3.88Å; F186-F195 HydrophobicContact CE2-CZ 3.88Å; F186-F195 HydrophobicContact CZ-CE2 4.28Å; F186-F195 HydrophobicContact CZ-CZ 4.33Å; F186-V198 HydrophobicContact CD2-CG1 4.13Å; F186-V198 HydrophobicContact CD2-CG2 4.38Å; F186-V198 HydrophobicContact CE2-CG1 4.09Å; F186-F200 HydrophobicContact CB-CE1 4.48Å; F186-F200 HydrophobicContact CB-CZ 4.41Å; F186-F200 HydrophobicContact CD2-CZ 4.37Å; F186-V284 HydrophobicContact CE2-CG1 3.76Å; F186-V284 HydrophobicContact CZ-CG1 4.04Å; F186-L286 HydrophobicContact CE2-CD2 4.32Å; F186-I313 HydrophobicContact CB-CD1 4.2Å; F186-I313 HydrophobicContact CD1-CG1 4.26Å; F186-I313 HydrophobicContact CD1-CG2 3.77Å; F186-I313 HydrophobicContact CD2-CD1 4.29Å; F186-I313 HydrophobicContact CD2-CG2 3.92Å; F186-I313 HydrophobicContact CE1-CG2 3.47Å; F186-I313 VanDerWaalsContact CE1-CG2 3.47Å; F186-I313 HydrophobicContact CE2-CG2 3.58Å; F186-I313 HydrophobicContact CG-CD1 4.13Å; F186-I313 HydrophobicContact CG-CG1 4.23Å; F186-I313 HydrophobicContact CG-CG2 4Å; F186-I313 HydrophobicContact CZ-CG2 3.35Å
187	I	82.4	Confident	83.4	Confident	58 Å²	58	44.1 Å²	44.1	30%	0.297	21%	0.208	S	C	.	.	H	α-helix	trans	-60.8	-44.3	-179.9	-64.6	164.6	0	0	0	110.6	N183 V184 R190 K191 Q316	N183-I187 WeakPolarHBondContact O-CG1 3.36Å; N183-I187 PolarHBondContact O-N 3.21Å; V184-I187 PolarHBondContact O-N 2.84Å; I187-R190 PolarHBondContact O-N 2.83Å; I187-K191 WeakPolarHBondContact O-CG 3.32Å; I187-Q316 VanDerWaalsContact CD1-OE1 3.29Å
188	E	87.6	Confident	83.9	Confident	57 Å²	57	40.4 Å²	40.4	27%	0.266	19%	0.188	S	C	.	.	H	α-helix	trans	-72.8	-33.6	-179.1	-70.6	-55.6	127.5	0	0	113.1	V184 G185 F186 K191 R192	V184-E188 HydrophobicContact CG1-CG 4.24Å; V184-E188 WeakPolarHBondContact O-CB 3.14Å; V184-E188 WeakPolarHBondContact O-CG 2.98Å; V184-E188 PolarHBondContact O-N 2.82Å; G185-E188 PolarHBondContact O-N 2.74Å; F186-E188 VanDerWaalsContact C-N 3.34Å; F186-E188 PolarHBondContact O-N 2.95Å; E188-K191 PolarHBondContact O-N 2.88Å; E188-K191 IonicContact OE1-NZ 2.71Å; E188-K191 PolarHBondContact OE1-NZ 3.48Å; E188-K191 IonicContact OE2-NZ 3.97Å; E188-R192 PolarHBondContact O-NH1 2.78Å; E188-R192 IonicContact OE2-CZ 3.48Å; E188-R192 IonicContact OE2-NH1 2.71Å; E188-R192 PolarHBondContact OE2-NH1 3.29Å; E188-R192 IonicContact OE2-NH2 3.33Å; E188-R192 PolarHBondContact OE2-NH2 3.24Å
189	A	88.5	Confident	84.5	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.7	-42.5	173.4	0	0	0	0	0	110.9	A133 F166 G185 F186 K191 R192 F193 F195	A133-A189 HydrophobicContact CB-CB 4.41Å; F166-A189 HydrophobicContact CD1-CB 4.1Å; F166-A189 HydrophobicContact CD2-CB 3.75Å; F166-A189 HydrophobicContact CE1-CB 3.94Å; F166-A189 HydrophobicContact CE2-CB 3.56Å; F166-A189 HydrophobicContact CG-CB 4.01Å; F166-A189 HydrophobicContact CZ-CB 3.65Å; G185-A189 WeakPolarHBondContact O-CB 3.09Å; G185-A189 PolarHBondContact O-N 3.44Å; F186-A189 PolarHBondContact O-N 2.93Å; A189-K191 PolarHBondContact O-N 3Å; A189-R192 PolarHBondContact O-N 3.29Å; A189-F193 PolarHBondContact O-N 2.85Å; A189-F195 HydrophobicContact CB-CE1 3.64Å; A189-F195 HydrophobicContact CB-CZ 4.18Å
190	R	82.3	Confident	85.1	Confident	53 Å²	53	36.1 Å²	36.1	20%	0.2	16%	0.163	C	C	.	.	H	α-helix	trans	-59.4	-29.1	-179.8	-81.1	-64	-57	164.4	-2	113.3	K62 F186 I187 R192 D194 F195	K62-R190 WeakPolarHBondContact CE-O 3.38Å; K62-R190 VanDerWaalsContact NZ-CZ 3.26Å; F186-R190 HydrophobicContact CD1-CG 4.16Å; F186-R190 HydrophobicContact CE1-CG 3.74Å; F186-R190 HydrophobicContact CZ-CG 4.06Å; F186-R190 WeakPolarHBondContact O-CG 3.21Å; F186-R190 PolarHBondContact O-N 2.01Å; I187-R190 PolarHBondContact O-N 2.83Å; R190-R192 VanDerWaalsContact C-N 3.29Å; R190-D194 IonicContact NH1-OD1 3.8Å; R190-F195 HydrophobicContact CB-CE1 4.41Å; R190-F195 VanDerWaalsContact CD-CZ 3.43Å; R190-F195 HydrophobicContact CG-CE1 3.85Å; R190-F195 HydrophobicContact CG-CZ 3.6Å; R190-F195 PolarHBondContact NH1-O 3.48Å
191	K	87.3	Confident	85.8	Confident	122 Å²	122	27.8 Å²	27.8	53%	0.53	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-19	176.8	-64.4	171	-173.3	173.2	0	113.2	I187 E188 A189	I187-K191 WeakPolarHBondContact O-CG 3.32Å; E188-K191 PolarHBondContact O-N 2.88Å; E188-K191 IonicContact OE1-NZ 2.71Å; E188-K191 PolarHBondContact OE1-NZ 3.48Å; E188-K191 IonicContact OE2-NZ 3.97Å; A189-K191 PolarHBondContact O-N 3Å
192	R	90.7	Very high	86	Confident	82 Å²	82	27.1 Å²	27.1	31%	0.309	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-28.3	-166.6	-68.8	174.9	-179.3	76.5	-2.9	114.1	Q63 R164 F166 E188 A189 R190	Q63-R192 WeakPolarHBondContact CB-O 3.41Å; Q63-R192 PolarHBondContact N-O 3.05Å; R164-R192 PolarHBondContact NH1-O 2.98Å; F166-R192 HydrophobicContact CE1-CB 4.23Å; F166-R192 HydrophobicContact CZ-CB 4.47Å; E188-R192 PolarHBondContact O-NH1 2.78Å; E188-R192 IonicContact OE2-CZ 3.48Å; E188-R192 IonicContact OE2-NH1 2.71Å; E188-R192 PolarHBondContact OE2-NH1 3.29Å; E188-R192 IonicContact OE2-NH2 3.33Å; E188-R192 PolarHBondContact OE2-NH2 3.24Å; A189-R192 PolarHBondContact O-N 3.29Å; R190-R192 VanDerWaalsContact C-N 3.29Å
193	F	92.1	Very high	86.2	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-137.5	136.1	-175.7	-177.2	-123	0	0	0	111.2	K62 Q63 I68 R164 F166 A189 F195	K62-F193 VanDerWaalsContact CE-C 3.46Å; K62-F193 WeakPolarHBondContact CE-O 3.34Å; Q63-F193 HydrophobicContact CB-CD2 4.27Å; Q63-F193 HydrophobicContact CG-CD2 4.47Å; Q63-F193 CarbonylContact O-C 3.19Å; Q63-F193 WeakPolarHBondContact O-CA 3.49Å; Q63-F193 WeakPolarHBondContact O-CD2 3.29Å; I68-F193 HydrophobicContact CD1-CD2 4.35Å; I68-F193 HydrophobicContact CD1-CE2 3.6Å; I68-F193 HydrophobicContact CD1-CZ 4.31Å; R164-F193 HydrophobicContact CB-CB 4.45Å; R164-F193 HydrophobicContact CB-CD1 3.87Å; R164-F193 HydrophobicContact CB-CD2 4.3Å; R164-F193 HydrophobicContact CB-CE1 4.16Å; R164-F193 HydrophobicContact CB-CG 3.95Å; F166-F193 HydrophobicContact CE2-CB 4.26Å; F166-F193 HydrophobicContact CZ-CB 3.82Å; A189-F193 PolarHBondContact O-N 2.85Å; F193-F195 HydrophobicContact CD1-CB 3.84Å; F193-F195 HydrophobicContact CD1-CD1 4.1Å; F193-F195 HydrophobicContact CD1-CG 4.44Å; F193-F195 HydrophobicContact CE1-CB 3.89Å; F193-F195 VanDerWaalsContact O-CD1 3.28Å; F193-F195 WeakPolarHBondContact O-CD1 3.41Å; F193-F195 PolarHBondContact O-N 3.05Å
194	D	90.9	Very high	86.6	Confident	26 Å²	26	25.8 Å²	25.8	14%	0.139	12%	0.121	C	C	.	.			trans	-81.7	111.8	172.2	-166.6	47.9	0	0	0	110	K62 Q63 T64 S130 G131 R190	K62-D194 HydrophobicContact CD-CB 4.01Å; K62-D194 VanDerWaalsContact CE-CA 3.4Å; K62-D194 HydrophobicContact CG-CB 4.33Å; K62-D194 IonicContact NZ-OD1 3.64Å; K62-D194 PolarHBondContact NZ-OD1 2.9Å; Q63-D194 PolarHBondContact O-N 2.84Å; T64-D194 HydrophobicContact CG2-CB 3.9Å; S130-D194 CarbonylContact C-O 3.59Å; S130-D194 VanDerWaalsContact CA-O 3.26Å; S130-D194 WeakPolarHBondContact CA-O 3.41Å; S130-D194 PolarHBondContact OG-OD2 2.93Å; G131-D194 PolarHBondContact N-O 3.27Å; R190-D194 IonicContact NH1-OD1 3.8Å
195	F	89.6	Confident	86.7	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.8	179.3	67	-94.7	0	0	0	110.1	G131 A133 F186 A189 R190 F193 C197 V198 V284	G131-F195 VanDerWaalsContact O-CA 3.27Å; G131-F195 WeakPolarHBondContact O-CA 2.92Å; G131-F195 WeakPolarHBondContact O-CB 3.36Å; A133-F195 HydrophobicContact CB-CB 4.14Å; A133-F195 HydrophobicContact CB-CD1 3.62Å; A133-F195 HydrophobicContact CB-CD2 3.88Å; A133-F195 HydrophobicContact CB-CE1 3.84Å; A133-F195 HydrophobicContact CB-CE2 4.11Å; A133-F195 HydrophobicContact CB-CG 3.62Å; A133-F195 HydrophobicContact CB-CZ 4.08Å; F186-F195 HydrophobicContact CD2-CE2 4.12Å; F186-F195 HydrophobicContact CD2-CZ 4.04Å; F186-F195 AromaticContact CE2-CE2 3.66Å; F186-F195 HydrophobicContact CE2-CE2 3.66Å; F186-F195 AromaticContact CE2-CZ 3.88Å; F186-F195 HydrophobicContact CE2-CZ 3.88Å; F186-F195 HydrophobicContact CZ-CE2 4.28Å; F186-F195 HydrophobicContact CZ-CZ 4.33Å; A189-F195 HydrophobicContact CB-CE1 3.64Å; A189-F195 HydrophobicContact CB-CZ 4.18Å; R190-F195 HydrophobicContact CB-CE1 4.41Å; R190-F195 VanDerWaalsContact CD-CZ 3.43Å; R190-F195 HydrophobicContact CG-CE1 3.85Å; R190-F195 HydrophobicContact CG-CZ 3.6Å; R190-F195 PolarHBondContact NH1-O 3.48Å; F193-F195 HydrophobicContact CD1-CB 3.84Å; F193-F195 HydrophobicContact CD1-CD1 4.1Å; F193-F195 HydrophobicContact CD1-CG 4.44Å; F193-F195 HydrophobicContact CE1-CB 3.89Å; F193-F195 VanDerWaalsContact O-CD1 3.28Å; F193-F195 WeakPolarHBondContact O-CD1 3.41Å; F193-F195 PolarHBondContact O-N 3.05Å; F195-C197 WeakPolarHBondContact CD2-O 3.32Å; F195-V198 HydrophobicContact CD2-CB 4.25Å; F195-V198 HydrophobicContact CE2-CB 3.92Å; F195-V198 HydrophobicContact CE2-CG1 4.44Å; F195-V284 HydrophobicContact CD2-CG1 4.43Å; F195-V284 HydrophobicContact CE2-CG1 4.11Å
196	N	83.9	Confident	86.6	Confident	64 Å²	64	23.3 Å²	23.3	34%	0.342	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-6.5	169.3	61.7	-5.4	0	0	0	111.2	G131 V284 F285	G131-N196 PolarHBondContact O-N 2.99Å; G131-N196 PolarHBondContact O-OD1 3.17Å; N196-V284 WeakPolarHBondContact O-CA 3.31Å; N196-F285 VanDerWaalsContact O-CD2 3.28Å; N196-F285 WeakPolarHBondContact O-CD2 3.24Å; N196-F285 PolarHBondContact O-N 3.39Å
197	C	87.5	Confident	86.6	Confident	1 Å²	1	23 Å²	23	1%	0.007	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137.5	177.5	-178.7	0	0	0	0	109.9	G131 V132 A133 F195 C216	G131-C197 PolarHBondContact O-N 3.38Å; V132-C197 CarbonylContact C-O 3.58Å; V132-C197 WeakPolarHBondContact CA-O 3.16Å; V132-C197 HydrophobicContact CB-CB 4.4Å; V132-C197 HydrophobicContact CG1-CB 4.31Å; V132-C197 HydrophobicContact CG2-CB 4.03Å; A133-C197 PolarHBondContact N-O 3.11Å; F195-C197 WeakPolarHBondContact CD2-O 3.32Å; C197-C216 HydrophobicContact CB-CB 3.55Å; C197-C216 WeakPolarHBondContact CB-SG 3.43Å; C197-C216 WeakPolarHBondContact SG-CB 3.41Å; C197-C216 PolarHBondContact SG-N 2.71Å; C197-C216 CovalentContact SG-SG 2.03Å; C197-C216 PolarHBondContact SG-SG 3.4Å
198	V	87.3	Confident	86.5	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.7	174.9	60.2	0	0	0	0	111.4	A133 I135 F186 F195 F200 V284 F285 L286 R287	A133-V198 HydrophobicContact CB-CB 4.32Å; A133-V198 HydrophobicContact CB-CG2 4.15Å; A133-V198 CarbonylContact O-C 3.47Å; A133-V198 VanDerWaalsContact O-CA 3.29Å; A133-V198 WeakPolarHBondContact O-CA 3.49Å; I135-V198 HydrophobicContact CD1-CG2 3.4Å; I135-V198 HydrophobicContact CG1-CG2 3.97Å; F186-V198 HydrophobicContact CD2-CG1 4.13Å; F186-V198 HydrophobicContact CD2-CG2 4.38Å; F186-V198 HydrophobicContact CE2-CG1 4.09Å; F195-V198 HydrophobicContact CD2-CB 4.25Å; F195-V198 HydrophobicContact CE2-CB 3.92Å; F195-V198 HydrophobicContact CE2-CG1 4.44Å; V198-F200 HydrophobicContact CG1-CE2 4.16Å; V198-F200 HydrophobicContact CG1-CZ 4.32Å; V198-F200 HydrophobicContact CG2-CE1 4.18Å; V198-F200 HydrophobicContact CG2-CE2 4.3Å; V198-F200 HydrophobicContact CG2-CZ 4.01Å; V198-V284 HydrophobicContact CG1-CG1 4.33Å; V198-F285 WeakPolarHBondContact CG1-O 3.5Å; V198-F285 PolarHBondContact N-O 3.5Å; V198-L286 HydrophobicContact CG1-CB 4.4Å; V198-L286 HydrophobicContact CG1-CD2 3.13Å; V198-L286 HydrophobicContact CG1-CG 4.29Å; V198-R287 PolarHBondContact O-N 3Å
199	I	89.7	Confident	86.1	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.1	176.4	-56.3	-163.4	0	0	0	108.5	V132 A133 I134 I135 H214 L227 R287 V289	V132-I199 HydrophobicContact CG1-CD1 4.18Å; V132-I199 HydrophobicContact CG1-CG1 3.95Å; A133-I199 PolarHBondContact O-N 3.31Å; I134-I199 HydrophobicContact CD1-CB 3.76Å; I134-I199 HydrophobicContact CD1-CD1 3.8Å; I134-I199 HydrophobicContact CD1-CG1 3.87Å; I134-I199 HydrophobicContact CD1-CG2 4.48Å; I135-I199 PolarHBondContact N-O 3.12Å; I199-H214 VanDerWaalsContact CD1-C 3.43Å; I199-H214 VanDerWaalsContact CD1-CA 3.48Å; I199-H214 HydrophobicContact CD1-CB 3.71Å; I199-H214 WeakPolarHBondContact CD1-O 3.38Å; I199-L227 HydrophobicContact CD1-CD1 4.13Å; I199-L227 HydrophobicContact CG2-CD1 4.26Å; I199-R287 WeakPolarHBondContact CA-O 3.08Å; I199-R287 HydrophobicContact CG1-CB 4.14Å; I199-V289 HydrophobicContact CG2-CG2 3.55Å
200	F	87.5	Confident	85.9	Confident	1 Å²	1	17.9 Å²	17.9	0%	0.004	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	121	170.6	-61.4	-72.3	0	0	0	109.6	I135 M182 F186 V198 L286 R287 F288 V289 I313	I135-F200 HydrophobicContact CB-CD1 3.96Å; I135-F200 HydrophobicContact CB-CE1 4.29Å; I135-F200 HydrophobicContact CD1-CD1 4.16Å; I135-F200 HydrophobicContact CD1-CE1 3.63Å; I135-F200 HydrophobicContact CD1-CZ 4.4Å; I135-F200 HydrophobicContact CG2-CD1 4.05Å; I135-F200 HydrophobicContact CG2-CE1 4.33Å; I135-F200 WeakPolarHBondContact O-CA 3.4Å; M182-F200 HydrophobicContact CB-CD1 3.57Å; M182-F200 HydrophobicContact CB-CE1 3.7Å; M182-F200 HydrophobicContact CB-CG 4.34Å; M182-F200 HydrophobicContact CE-CB 4.07Å; M182-F200 HydrophobicContact CG-CB 4.25Å; M182-F200 HydrophobicContact CG-CD1 3.63Å; M182-F200 HydrophobicContact CG-CE1 4.29Å; M182-F200 HydrophobicContact CG-CG 4.15Å; M182-F200 WeakPolarHBondContact O-CE1 2.93Å; M182-F200 HydrophobicContact SD-CB 3.95Å; M182-F200 HydrophobicContact SD-CD1 4.24Å; M182-F200 HydrophobicContact SD-CG 4.15Å; F186-F200 HydrophobicContact CB-CE1 4.48Å; F186-F200 HydrophobicContact CB-CZ 4.41Å; F186-F200 HydrophobicContact CD2-CZ 4.37Å; V198-F200 HydrophobicContact CG1-CE2 4.16Å; V198-F200 HydrophobicContact CG1-CZ 4.32Å; V198-F200 HydrophobicContact CG2-CE1 4.18Å; V198-F200 HydrophobicContact CG2-CE2 4.3Å; V198-F200 HydrophobicContact CG2-CZ 4.01Å; F200-L286 HydrophobicContact CE2-CB 4.43Å; F200-L286 HydrophobicContact CE2-CD2 4.14Å; F200-R287 PolarHBondContact N-O 3.16Å; F200-F288 HydrophobicContact CB-CD1 3.85Å; F200-F288 HydrophobicContact CB-CE1 4.07Å; F200-F288 AromaticContact CD2-CD1 3.78Å; F200-F288 HydrophobicContact CD2-CD1 3.78Å; F200-F288 HydrophobicContact CD2-CD2 4.42Å; F200-F288 AromaticContact CD2-CE1 3.28Å; F200-F288 HydrophobicContact CD2-CE1 3.28Å; F200-F288 AromaticContact CD2-CE2 3.99Å; F200-F288 HydrophobicContact CD2-CE2 3.99Å; F200-F288 HydrophobicContact CD2-CG 4.32Å; F200-F288 AromaticContact CD2-CZ 3.39Å; F200-F288 HydrophobicContact CD2-CZ 3.39Å; F200-F288 AromaticContact CE2-CE1 3.9Å; F200-F288 HydrophobicContact CE2-CE1 3.9Å; F200-F288 HydrophobicContact CE2-CE2 4.31Å; F200-F288 AromaticContact CE2-CZ 3.62Å; F200-F288 HydrophobicContact CE2-CZ 3.62Å; F200-F288 HydrophobicContact CG-CD1 4.15Å; F200-F288 AromaticContact CG-CE1 3.86Å; F200-F288 HydrophobicContact CG-CE1 3.86Å; F200-F288 HydrophobicContact CG-CZ 4.38Å; F200-V289 WeakPolarHBondContact O-CA 3.15Å; F200-V289 PolarHBondContact O-N 3Å; F200-I313 HydrophobicContact CE2-CD1 4.44Å; F200-I313 HydrophobicContact CZ-CD1 3.85Å
201	H	88.6	Confident	86	Confident	1 Å²	1	19.4 Å²	19.4	1%	0.005	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.7	-170.1	-163.5	-63.8	0	0	0	111.2	I135 I136 V137 L205 V289	I135-H201 PolarHBondContact O-N 2.87Å; I136-H201 VanDerWaalsContact CA-O 3.3Å; I136-H201 WeakPolarHBondContact CA-O 3.33Å; I136-H201 HydrophobicContact CG1-CB 4.23Å; V137-H201 PolarHBondContact N-O 3.11Å; V137-H201 VanDerWaalsContact N-O 3.17Å; H201-L205 PolarHBondContact CE1-O 2.79Å; H201-V289 HydrophobicContact CB-CB 4.38Å; H201-V289 HydrophobicContact CB-CG2 4.45Å
202	D	85.8	Confident	85.7	Confident	3 Å²	3	14.3 Å²	14.3	2%	0.016	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	143.1	172.5	-86.2	-2.9	0	0	0	110.9	K178 D204 L205 V289 S290	K178-D202 IonicContact NZ-OD1 3.03Å; K178-D202 PolarHBondContact NZ-OD1 3.15Å; K178-D202 IonicContact NZ-OD2 2.66Å; K178-D202 PolarHBondContact NZ-OD2 3.26Å; D202-D204 PolarHBondContact O-N 2.93Å; D202-D204 VanDerWaalsContact O-N 3.11Å; D202-L205 HydrophobicContact CB-CD1 3.81Å; D202-L205 HydrophobicContact CB-CG 3.84Å; D202-V289 PolarHBondContact N-O 3.32Å; D202-V289 VanDerWaalsContact N-O 3.12Å; D202-S290 WeakPolarHBondContact OD1-CB 3.37Å; D202-S290 PolarHBondContact OD1-OG 2.97Å; D202-S290 PolarHBondContact OD2-OG 3.16Å
203	A	85.5	Confident	85.4	Confident	2 Å²	2	12.4 Å²	12.4	2%	0.017	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-12.5	-179.2	0	0	0	0	0	114.9	I136 V137 C138 R141 Q144 L145 T148	I136-A203 HydrophobicContact CG2-CB 4.08Å; V137-A203 WeakPolarHBondContact O-CB 3.31Å; C138-A203 HydrophobicContact CB-CB 4.39Å; R141-A203 HydrophobicContact CB-CB 4.4Å; Q144-A203 CarbonylContact C-O 3.53Å; L145-A203 WeakPolarHBondContact CA-O 3.46Å; L145-A203 HydrophobicContact CB-CB 4.24Å; L145-A203 HydrophobicContact CD1-CB 4.28Å; L145-A203 PolarHBondContact N-O 3.07Å; T148-A203 WeakPolarHBondContact CB-O 3.5Å; T148-A203 PolarHBondContact OG1-O 2.94Å
204	D	82.5	Confident	85.2	Confident	2 Å²	2	12.6 Å²	12.6	1%	0.011	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	18.8	-174.1	62.7	-43.8	0	0	0	114.3	R141 Q144 D202 Y250 L251	R141-D204 IonicContact CZ-OD2 2.63Å; R141-D204 IonicContact NH1-OD1 3.97Å; R141-D204 PolarHBondContact NH1-OD1 3.02Å; R141-D204 IonicContact NH1-OD2 3.72Å; R141-D204 PolarHBondContact NH1-OD2 2.82Å; Q144-D204 HydrophobicContact CB-CB 4.15Å; Q144-D204 HydrophobicContact CG-CB 4.26Å; D202-D204 PolarHBondContact O-N 2.93Å; D202-D204 VanDerWaalsContact O-N 3.11Å; D204-Y250 HydrophobicContact CB-CD1 4.18Å; D204-Y250 WeakPolarHBondContact O-CA 3.31Å; D204-Y250 WeakPolarHBondContact O-CB 3.5Å; D204-L251 PolarHBondContact O-N 3.01Å; D204-L251 VanDerWaalsContact O-N 3.16Å
205	L	83.7	Confident	85	Confident	10 Å²	10	12 Å²	12	5%	0.052	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.2	173.3	-64.1	-179.6	0	0	0	110.9	T148 H201 D202 L251 L253 V289	T148-L205 WeakPolarHBondContact CG2-O 3.27Å; T148-L205 PolarHBondContact OG1-O 3.49Å; H201-L205 PolarHBondContact CE1-O 2.79Å; D202-L205 HydrophobicContact CB-CD1 3.81Å; D202-L205 HydrophobicContact CB-CG 3.84Å; L205-L251 WeakPolarHBondContact CA-O 3.39Å; L205-L251 HydrophobicContact CD2-CB 3.52Å; L205-L251 WeakPolarHBondContact CD2-O 3.22Å; L205-L253 HydrophobicContact CB-CD1 4.07Å; L205-L253 HydrophobicContact CD1-CD1 4.47Å; L205-V289 HydrophobicContact CB-CG1 4.5Å; L205-V289 HydrophobicContact CD1-CB 4.4Å; L205-V289 HydrophobicContact CD1-CG1 3.79Å; L205-V289 WeakPolarHBondContact CD1-O 3.37Å
206	I	83	Confident	84.3	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116.1	-177	-58.5	-178.7	0	0	0	109.4	F95 N147 L208 L243 Y250 L251 L253	F95-I206 HydrophobicContact CE2-CD1 4.1Å; F95-I206 HydrophobicContact CZ-CD1 4.25Å; N147-I206 HydrophobicContact CB-CD1 4.33Å; I206-L208 HydrophobicContact CG2-CD2 3.92Å; I206-L208 PolarHBondContact O-N 3.32Å; I206-L243 HydrophobicContact CD1-CD1 3.9Å; I206-Y250 HydrophobicContact CD1-CD1 3.75Å; I206-Y250 HydrophobicContact CD1-CE1 4.04Å; I206-Y250 HydrophobicContact CD1-CG 4.35Å; I206-Y250 HydrophobicContact CG1-CD1 4.04Å; I206-L251 PolarHBondContact N-O 2.99Å; I206-L253 PolarHBondContact O-N 3.32Å
207	P	82.9	Confident	83.6	Confident	2 Å²	2	13.5 Å²	13.5	1%	0.013	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	118.3	175.6	30.9	-33.6	0	0	0	110.7	M89 S151 L152 V155	M89-P207 WeakPolarHBondContact CE-O 3.29Å; S151-P207 PolarHBondContact OG-O 3.45Å; L152-P207 HydrophobicContact CB-CG 4.01Å; L152-P207 HydrophobicContact CD1-CG 3.96Å; V155-P207 HydrophobicContact CG2-CB 4.27Å; V155-P207 HydrophobicContact CG2-CG 4.14Å
208	L	78.9	Confident	82.3	Confident	2 Å²	2	21.5 Å²	21.5	1%	0.01	11%	0.11	C	C	.	.			trans	-105.9	3.9	179.4	-66.3	-170	0	0	0	113.8	M89 I206 L235 L239 V252 L253	M89-L208 PolarHBondContact N-O 2.79Å; I206-L208 HydrophobicContact CG2-CD2 3.92Å; I206-L208 PolarHBondContact O-N 3.32Å; L208-L235 HydrophobicContact CD1-CD2 4.33Å; L208-L239 HydrophobicContact CD1-CD2 3.86Å; L208-L239 HydrophobicContact CD2-CD2 3.84Å; L208-L239 HydrophobicContact CG-CD2 4.26Å; L208-V252 HydrophobicContact CD1-CG1 3.15Å; L208-V252 HydrophobicContact CD2-CG1 4.5Å; L208-V252 HydrophobicContact CG-CG1 3.61Å; L208-L253 WeakPolarHBondContact CA-O 3.5Å; L208-L253 WeakPolarHBondContact CB-O 3.36Å; L208-L253 PolarHBondContact N-O 3.21Å
209	D	80.8	Confident	80.6	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-138.3	111.7	-178.7	-161.3	-26.6	0	0	0	109.5	G87 K88 R211 I212	G87-D209 VanDerWaalsContact C-OD1 3.23Å; G87-D209 WeakPolarHBondContact O-CA 3.38Å; K88-D209 WeakPolarHBondContact CG-OD2 3.45Å; D209-R211 PolarHBondContact O-N 2.86Å; D209-R211 WeakPolarHBondContact OD1-CB 3.49Å; D209-R211 IonicContact OD1-CZ 3.6Å; D209-R211 PolarHBondContact OD1-N 3.47Å; D209-R211 IonicContact OD1-NE 3.96Å; D209-R211 PolarHBondContact OD1-NE 3.08Å; D209-R211 IonicContact OD1-NH2 3.56Å; D209-R211 IonicContact OD2-CZ 3.46Å; D209-R211 IonicContact OD2-NE 3.06Å; D209-R211 PolarHBondContact OD2-NE 3.46Å; D209-R211 IonicContact OD2-NH2 2.67Å; D209-R211 PolarHBondContact OD2-NH2 3.17Å; D209-I212 HydrophobicContact CB-CD1 4.16Å; D209-I212 HydrophobicContact CB-CG1 4.31Å; D209-I212 PolarHBondContact O-N 2.86Å
210	D	84.6	Confident	79	Confident	4 Å²	4	26.4 Å²	26.4	2%	0.021	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	1.6	-178.1	68.5	15.7	0	0	0	113.5	M86 G87 V155 R158 Q159 I212	M86-D210 PolarHBondContact N-OD1 2.56Å; M86-D210 PolarHBondContact N-OD2 3.35Å; G87-D210 VanDerWaalsContact CA-OD1 3.24Å; G87-D210 WeakPolarHBondContact CA-OD1 3.16Å; G87-D210 PolarHBondContact N-OD1 2.78Å; G87-D210 PolarHBondContact O-N 3.18Å; V155-D210 HydrophobicContact CG1-CB 4.07Å; V155-D210 HydrophobicContact CG2-CB 4.25Å; R158-D210 WeakPolarHBondContact CD-OD2 3.37Å; R158-D210 IonicContact CZ-OD2 3.66Å; R158-D210 IonicContact NE-OD2 2.74Å; R158-D210 PolarHBondContact NE-OD2 3.05Å; R158-D210 IonicContact NH2-OD2 3.74Å; Q159-D210 PolarHBondContact NE2-O 2.9Å; D210-I212 VanDerWaalsContact C-N 3.26Å
211	R	83.4	Confident	77.3	Confident	86 Å²	86	30.3 Å²	30.3	33%	0.325	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-10.9	167.5	-65	167.3	-58.5	163.5	10.3	112.6	D209 P213 Y256	D209-R211 PolarHBondContact O-N 2.86Å; D209-R211 WeakPolarHBondContact OD1-CB 3.49Å; D209-R211 IonicContact OD1-CZ 3.6Å; D209-R211 PolarHBondContact OD1-N 3.47Å; D209-R211 IonicContact OD1-NE 3.96Å; D209-R211 PolarHBondContact OD1-NE 3.08Å; D209-R211 IonicContact OD1-NH2 3.56Å; D209-R211 IonicContact OD2-CZ 3.46Å; D209-R211 IonicContact OD2-NE 3.06Å; D209-R211 PolarHBondContact OD2-NE 3.46Å; D209-R211 IonicContact OD2-NH2 2.67Å; D209-R211 PolarHBondContact OD2-NH2 3.17Å; R211-P213 VanDerWaalsContact O-CD 3.24Å; R211-P213 WeakPolarHBondContact O-CD 3.41Å; R211-Y256 HydrophobicContact CB-CD1 4.27Å; R211-Y256 HydrophobicContact CB-CD2 3.54Å; R211-Y256 HydrophobicContact CB-CE2 4.17Å; R211-Y256 HydrophobicContact CB-CG 3.58Å; R211-Y256 HydrophobicContact CG-CG 4.46Å; R211-Y256 VanDerWaalsContact O-CD2 3.23Å; R211-Y256 WeakPolarHBondContact O-CD2 3.42Å
212	I	81.2	Confident	75.5	Confident	14 Å²	14	38.5 Å²	38.5	7%	0.072	19%	0.192	C	C	.	.	S	Bend	trans	-76.8	109.4	173.2	-60.6	169.7	0	0	0	108.4	Q159 D209 D210 H214 L227 S255	Q159-I212 PolarHBondContact NE2-O 3.22Å; D209-I212 HydrophobicContact CB-CD1 4.16Å; D209-I212 HydrophobicContact CB-CG1 4.31Å; D209-I212 PolarHBondContact O-N 2.86Å; D210-I212 VanDerWaalsContact C-N 3.26Å; I212-H214 PolarHBondContact O-CE1 2.63Å; I212-H214 PolarHBondContact O-N 2.79Å; I212-H214 PolarHBondContact O-ND1 3.48Å; I212-L227 HydrophobicContact CG2-CB 4.21Å; I212-L227 HydrophobicContact CG2-CD2 4.38Å; I212-S255 WeakPolarHBondContact CD1-O 3.44Å; I212-S255 WeakPolarHBondContact CG1-O 3.35Å
213	P	84.6	Confident	73.9	Confident	42 Å²	42	42.4 Å²	42.4	27%	0.273	22%	0.219	S	C	.	.			trans	-68.4	125.3	-174.1	24.5	-28.7	0	0	0	111.2	R211 R287	R211-P213 VanDerWaalsContact O-CD 3.24Å; R211-P213 WeakPolarHBondContact O-CD 3.41Å; P213-R287 PolarHBondContact O-NH1 3.36Å
214	H	88.5	Confident	72.9	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.019	24%	0.237	C	C	.	.			trans	-103	17.3	171.8	-66.9	71.7	0	0	0	111.6	L156 L161 I199 I212	L156-H214 HydrophobicContact CD2-CB 3.45Å; L156-H214 VanDerWaalsContact CD2-CB 3.45Å; L161-H214 VanDerWaalsContact CD1-C 3.44Å; L161-H214 HydrophobicContact CD1-CB 3.83Å; L161-H214 VanDerWaalsContact CD1-O 3.25Å; L161-H214 WeakPolarHBondContact CD1-O 3.48Å; I199-H214 VanDerWaalsContact CD1-C 3.43Å; I199-H214 VanDerWaalsContact CD1-CA 3.48Å; I199-H214 HydrophobicContact CD1-CB 3.71Å; I199-H214 WeakPolarHBondContact CD1-O 3.38Å; I212-H214 PolarHBondContact O-CE1 2.63Å; I212-H214 PolarHBondContact O-N 2.79Å; I212-H214 PolarHBondContact O-ND1 3.48Å
215	G	85.1	Confident	72.2	Confident	13 Å²	13	47 Å²	47	13%	0.134	25%	0.247	C	C	.	.	S	Bend	trans	-103.8	173.2	167.2	0	0	0	0	0	111	R287	G215-R287 PolarHBondContact O-NE 3.28Å; G215-R287 PolarHBondContact O-NH2 3.35Å
216	C	75	Confident	71.5	Confident	32 Å²	32	48.7 Å²	48.7	22%	0.216	25%	0.254	C	S	.	.			trans	-110.3	126.3	164.2	-56.7	0	0	0	0	106.8	C197 F285	C197-C216 HydrophobicContact CB-CB 3.55Å; C197-C216 WeakPolarHBondContact CB-SG 3.43Å; C197-C216 WeakPolarHBondContact SG-CB 3.41Å; C197-C216 PolarHBondContact SG-N 2.71Å; C197-C216 CovalentContact SG-SG 2.03Å; C197-C216 PolarHBondContact SG-SG 3.4Å; C216-F285 HydrophobicContact CB-CB 3.95Å; C216-F285 HydrophobicContact CB-CD2 4.29Å; C216-F285 HydrophobicContact CB-CG 4.36Å; C216-F285 VanDerWaalsContact SG-CB 3.55Å
217	D	70.1	Confident	71	Confident	64 Å²	64	49.1 Å²	49.1	34%	0.342	26%	0.256	S	S	.	.			trans	-125.1	173	179.9	55	6.9	0	0	0	109.1	E219 T220 M221 R287	D217-E219 PolarHBondContact O-N 3.41Å; D217-E219 WeakPolarHBondContact OD1-CB 3.35Å; D217-T220 PolarHBondContact N-OG1 2.78Å; D217-T220 VanDerWaalsContact N-OG1 3.09Å; D217-T220 CarbonylContact O-C 3.5Å; D217-T220 PolarHBondContact O-N 2.89Å; D217-T220 PolarHBondContact O-OG1 2.88Å; D217-T220 VanDerWaalsContact OD1-CB 3.28Å; D217-T220 WeakPolarHBondContact OD1-CB 3.5Å; D217-T220 VanDerWaalsContact OD1-CG2 3.31Å; D217-T220 WeakPolarHBondContact OD1-CG2 3.23Å; D217-T220 PolarHBondContact OD1-N 3.09Å; D217-T220 PolarHBondContact OD1-OG1 3.19Å; D217-M221 WeakPolarHBondContact O-CG 3.07Å; D217-M221 PolarHBondContact O-N 2.89Å; D217-R287 IonicContact OD1-NH2 2.8Å
218	E	60.3	Low	70.4	Confident	169 Å²	169	49.8 Å²	49.8	79%	0.79	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-54.9	-38.1	-179.7	-70.5	179.3	171.3	0	0	112.3	T220 M221	E218-T220 PolarHBondContact O-N 3.3Å; E218-M221 HydrophobicContact CB-SD 4.47Å; E218-M221 HydrophobicContact CG-SD 4.06Å; E218-M221 PolarHBondContact O-N 2.54Å
219	E	51.2	Low	69.6	Low	95 Å²	95	53.7 Å²	53.7	44%	0.444	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-50.9	-38.6	171.4	173.9	-159.7	104.8	0	0	112.5	D217 L264	D217-E219 PolarHBondContact O-N 3.41Å; D217-E219 WeakPolarHBondContact OD1-CB 3.35Å; E219-L264 HydrophobicContact CB-CD1 4.25Å; E219-L264 HydrophobicContact CG-CD1 4.11Å; E219-L264 HydrophobicContact CG-CG 4.41Å; E219-L264 WeakPolarHBondContact OE2-CD1 3.43Å
220	T	56.3	Low	68.3	Low	8 Å²	8	56.3 Å²	56.3	5%	0.049	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-111.7	5.4	-172.9	60.7	0	0	0	0	114.3	D217 E218 E222 V225 R287	D217-T220 PolarHBondContact N-OG1 2.78Å; D217-T220 VanDerWaalsContact N-OG1 3.09Å; D217-T220 CarbonylContact O-C 3.5Å; D217-T220 PolarHBondContact O-N 2.89Å; D217-T220 PolarHBondContact O-OG1 2.88Å; D217-T220 VanDerWaalsContact OD1-CB 3.28Å; D217-T220 WeakPolarHBondContact OD1-CB 3.5Å; D217-T220 VanDerWaalsContact OD1-CG2 3.31Å; D217-T220 WeakPolarHBondContact OD1-CG2 3.23Å; D217-T220 PolarHBondContact OD1-N 3.09Å; D217-T220 PolarHBondContact OD1-OG1 3.19Å; E218-T220 PolarHBondContact O-N 3.3Å; T220-E222 VanDerWaalsContact C-N 3.27Å; T220-V225 HydrophobicContact CG2-CG2 3.84Å; T220-R287 PolarHBondContact OG1-NH2 2.91Å
221	M	52.1	Low	66.6	Low	83 Å²	83	61.7 Å²	61.7	41%	0.409	34%	0.337	S	S	.	.	S	Bend	trans	-77.1	-14.1	174.4	-77.8	166.9	68.3	0	0	112.3	D217 E218 F285	D217-M221 WeakPolarHBondContact O-CG 3.07Å; D217-M221 PolarHBondContact O-N 2.89Å; E218-M221 HydrophobicContact CB-SD 4.47Å; E218-M221 HydrophobicContact CG-SD 4.06Å; E218-M221 PolarHBondContact O-N 2.54Å; M221-F285 VanDerWaalsContact CA-CD1 3.49Å; M221-F285 VanDerWaalsContact CA-CE1 3.47Å; M221-F285 HydrophobicContact CB-CD1 3.94Å; M221-F285 HydrophobicContact CB-CE1 3.45Å; M221-F285 VanDerWaalsContact CB-CE1 3.45Å; M221-F285 HydrophobicContact CB-CE2 4.35Å; M221-F285 HydrophobicContact CB-CZ 3.69Å; M221-F285 HydrophobicContact CE-CE1 4.38Å; M221-F285 HydrophobicContact CE-CE2 3.71Å; M221-F285 HydrophobicContact CE-CZ 3.43Å; M221-F285 VanDerWaalsContact CE-CZ 3.43Å; M221-F285 HydrophobicContact CG-CD1 3.92Å; M221-F285 HydrophobicContact CG-CD2 3.87Å; M221-F285 HydrophobicContact CG-CE1 3.59Å; M221-F285 HydrophobicContact CG-CE2 3.55Å; M221-F285 HydrophobicContact CG-CG 4.06Å; M221-F285 HydrophobicContact CG-CZ 3.39Å; M221-F285 WeakPolarHBondContact O-CD1 2.85Å; M221-F285 WeakPolarHBondContact O-CE1 3.39Å; M221-F285 HydrophobicContact SD-CE2 4.15Å; M221-F285 HydrophobicContact SD-CZ 4.16Å
222	E	50.3	Low	65.2	Low	174 Å²	174	65 Å²	65	81%	0.813	36%	0.361	S	S	*	.	S	Bend	trans	-83.5	-24.3	-177.4	-62.4	-168.3	158.6	0	0	114.2	T220	T220-E222 VanDerWaalsContact C-N 3.27Å
223	S	52.8	Low	64.2	Low	84 Å²	84	66 Å²	66	59%	0.587	37%	0.367	S	S	*	.	S	Bend	trans	-157.2	166	-175.8	69.7	0	0	0	0	114	V225	S223-V225 PolarHBondContact O-N 2.77Å
224	V	63.5	Low	63.4	Low	67 Å²	67	70.3 Å²	70.3	41%	0.406	38%	0.383	S	S	.	.			trans	-66.2	124	172.6	177.1	0	0	0	0	109.8	L286 F288	V224-L286 WeakPolarHBondContact CA-O 3.41Å; V224-L286 HydrophobicContact CG2-CB 4.47Å; V224-F288 HydrophobicContact CG1-CD2 3.41Å; V224-F288 VanDerWaalsContact CG1-CD2 3.41Å; V224-F288 HydrophobicContact CG1-CE2 3.64Å
225	V	67.4	Low	62.2	Low	35 Å²	35	72.4 Å²	72.4	21%	0.212	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.7	-178.8	-174	0	0	0	0	111.7	T220 S223 L227 R287 F288	T220-V225 HydrophobicContact CG2-CG2 3.84Å; S223-V225 PolarHBondContact O-N 2.77Å; V225-L227 HydrophobicContact CG1-CD2 3.85Å; V225-R287 HydrophobicContact CB-CG 4.16Å; V225-R287 CarbonylContact O-C 3.56Å; V225-R287 WeakPolarHBondContact O-CA 3.06Å; V225-F288 PolarHBondContact O-N 2.88Å
226	H	70.5	Confident	61.2	Low	44 Å²	44	72.4 Å²	72.4	20%	0.204	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.6	171.7	175.3	-107.3	0	0	0	111	S228 F288 I291 Y303	H226-S228 PolarHBondContact CD2-OG 3.04Å; H226-S228 PolarHBondContact CE1-O 3.49Å; H226-S228 PolarHBondContact CE1-OG 3.3Å; H226-S228 PolarHBondContact NE2-OG 3.48Å; H226-F288 WeakPolarHBondContact CA-O 3.28Å; H226-I291 WeakPolarHBondContact CD2-CD1 3.31Å; H226-I291 VanDerWaalsContact NE2-CD1 3.26Å; H226-I291 WeakPolarHBondContact NE2-CD1 3.25Å; H226-I291 WeakPolarHBondContact NE2-CG1 3.47Å; H226-Y303 HydrophobicContact CB-CE1 4.29Å; H226-Y303 WeakPolarHBondContact CB-OH 3.45Å; H226-Y303 PolarHBondContact CD2-OH 2.92Å; H226-Y303 PolarHBondContact ND1-OH 2.84Å
227	L	72.4	Confident	60.8	Low	9 Å²	9	76.8 Å²	76.8	5%	0.047	41%	0.407	C	S	.	.			trans	-91.9	-25.4	-174.6	-52	-176.4	0	0	0	114	I199 I212 V225 V229 R287 F288 V289	I199-L227 HydrophobicContact CD1-CD1 4.13Å; I199-L227 HydrophobicContact CG2-CD1 4.26Å; I212-L227 HydrophobicContact CG2-CB 4.21Å; I212-L227 HydrophobicContact CG2-CD2 4.38Å; V225-L227 HydrophobicContact CG1-CD2 3.85Å; L227-V229 PolarHBondContact O-N 3.4Å; L227-R287 HydrophobicContact CD1-CB 4.27Å; L227-R287 HydrophobicContact CG-CB 4.38Å; L227-F288 PolarHBondContact N-O 3.35Å; L227-V289 HydrophobicContact CB-CG1 4.3Å; L227-V289 HydrophobicContact CB-CG2 3.84Å; L227-V289 HydrophobicContact CD1-CG2 3.66Å; L227-V289 HydrophobicContact CG-CG2 4.01Å
228	S	69.8	Low	60.8	Low	16 Å²	16	79 Å²	79	11%	0.112	41%	0.413	C	S	.	.			trans	-80.4	57.7	-176.5	37.6	0	0	0	0	113.1	H226 G230	H226-S228 PolarHBondContact CD2-OG 3.04Å; H226-S228 PolarHBondContact CE1-O 3.49Å; H226-S228 PolarHBondContact CE1-OG 3.3Å; H226-S228 PolarHBondContact NE2-OG 3.48Å; S228-G230 PolarHBondContact O-N 2.87Å
229	V	62	Low	61.1	Low	84 Å²	84	70.9 Å²	70.9	51%	0.509	38%	0.376	S	S	.	.			trans	-91.5	95.3	176.1	-136.7	0	0	0	0	108.7	L227 S255	L227-V229 PolarHBondContact O-N 3.4Å; V229-S255 WeakPolarHBondContact O-CB 3.33Å
230	G	52.4	Low	61.9	Low	56 Å²	56	69.2 Å²	69.2	58%	0.577	37%	0.368	S	S	*	.			trans	-75.8	127.9	-179.4	0	0	0	0	0	112.1	S228	S228-G230 PolarHBondContact O-N 2.87Å
231	H	49.7	Very low	62.6	Low	117 Å²	117	72.8 Å²	72.8	54%	0.542	38%	0.384	S	S	.	.			trans	-103.2	124.7	160.4	-161.6	-41.9	0	0	0	108.6	N233	H231-N233 PolarHBondContact O-N 3.05Å
232	N	53.2	Low	63.5	Low	154 Å²	154	70.6 Å²	70.6	82%	0.824	37%	0.374	S	S	*	.			trans	-62.3	108	170.4	-85.6	-14.6	0	0	0	108.8
233	N	61.7	Low	64.2	Low	37 Å²	37	62.4 Å²	62.4	20%	0.198	34%	0.336	C	S	.	.			trans	-131.3	158.3	168.4	65.9	35.4	0	0	0	109.6	H231 L235 T236 K237 S254	H231-N233 PolarHBondContact O-N 3.05Å; N233-L235 PolarHBondContact O-N 3.42Å; N233-L235 VanDerWaalsContact O-N 3.09Å; N233-L235 PolarHBondContact OD1-N 2.82Å; N233-T236 PolarHBondContact O-N 3.33Å; N233-T236 VanDerWaalsContact O-N 3.15Å; N233-T236 VanDerWaalsContact OD1-CB 3.31Å; N233-T236 WeakPolarHBondContact OD1-CB 3.38Å; N233-T236 PolarHBondContact OD1-N 2.87Å; N233-T236 PolarHBondContact OD1-OG1 2.93Å; N233-K237 PolarHBondContact O-N 2.99Å; N233-S254 PolarHBondContact ND2-OG 3.39Å
234	E	68.2	Low	65	Low	132 Å²	132	61.9 Å²	61.9	62%	0.617	33%	0.326	S	S	*	.	H	α-helix	trans	-49.6	-38.4	-176.2	-165.9	81.3	-165.7	0	0	112.3	K238	E234-K238 HydrophobicContact CG-CD 4.38Å; E234-K238 WeakPolarHBondContact O-CB 3.35Å; E234-K238 WeakPolarHBondContact O-CG 3.25Å; E234-K238 PolarHBondContact O-N 2.04Å
235	L	63	Low	65.5	Low	47 Å²	47	65.6 Å²	65.6	25%	0.246	34%	0.344	C	S	.	.	H	α-helix	trans	-67.2	-51.9	-179.1	-176.1	73.7	0	0	0	112.2	F91 L208 N233 K237 K238 L239	F91-L235 HydrophobicContact CB-CD1 4.28Å; F91-L235 WeakPolarHBondContact O-CD1 3.23Å; L208-L235 HydrophobicContact CD1-CD2 4.33Å; N233-L235 PolarHBondContact O-N 3.42Å; N233-L235 VanDerWaalsContact O-N 3.09Å; N233-L235 PolarHBondContact OD1-N 2.82Å; L235-K237 PolarHBondContact O-N 3.05Å; L235-K238 PolarHBondContact O-N 3.24Å; L235-L239 PolarHBondContact O-N 3.37Å
236	T	62.3	Low	65.5	Low	13 Å²	13	68 Å²	68	8%	0.08	35%	0.351	C	S	.	.	H	α-helix	trans	-59	-40.8	178.4	-56	0	0	0	0	110	N233 H240 V252 S254	N233-T236 PolarHBondContact O-N 3.33Å; N233-T236 VanDerWaalsContact O-N 3.15Å; N233-T236 VanDerWaalsContact OD1-CB 3.31Å; N233-T236 WeakPolarHBondContact OD1-CB 3.38Å; N233-T236 PolarHBondContact OD1-N 2.87Å; N233-T236 PolarHBondContact OD1-OG1 2.93Å; T236-H240 VanDerWaalsContact O-CB 3.25Å; T236-H240 WeakPolarHBondContact O-CB 3.4Å; T236-H240 PolarHBondContact O-N 3.38Å; T236-V252 HydrophobicContact CG2-CB 3.69Å; T236-V252 HydrophobicContact CG2-CG1 3.74Å; T236-V252 VanDerWaalsContact CG2-O 3.23Å; T236-V252 WeakPolarHBondContact CG2-O 3.37Å; T236-S254 PolarHBondContact OG1-OG 3.21Å
237	K	67.9	Low	65.3	Low	124 Å²	124	69.3 Å²	69.3	54%	0.539	38%	0.377	S	S	.	.	H	α-helix	trans	-64.4	-49.6	176	-174.1	177.8	173.4	-175.4	0	112.1	N233 L235 L239 H240 E241	N233-K237 PolarHBondContact O-N 2.99Å; L235-K237 PolarHBondContact O-N 3.05Å; K237-L239 VanDerWaalsContact C-N 3.35Å; K237-L239 PolarHBondContact O-N 3.03Å; K237-H240 PolarHBondContact O-N 2.82Å; K237-E241 WeakPolarHBondContact CE-OE1 3.22Å; K237-E241 WeakPolarHBondContact O-CB 3.16Å; K237-E241 WeakPolarHBondContact O-CG 3.4Å; K237-E241 PolarHBondContact O-N 3.43Å
238	K	70.4	Confident	64.7	Low	110 Å²	110	69.5 Å²	69.5	48%	0.478	38%	0.378	S	S	.	.	H	α-helix	trans	-60.4	-41.8	177.9	-79.1	177.2	179.8	178.4	0	112.6	E234 L235 E241 N242	E234-K238 HydrophobicContact CG-CD 4.38Å; E234-K238 WeakPolarHBondContact O-CB 3.35Å; E234-K238 WeakPolarHBondContact O-CG 3.25Å; E234-K238 PolarHBondContact O-N 2.04Å; L235-K238 PolarHBondContact O-N 3.24Å; K238-E241 PolarHBondContact O-N 3.47Å; K238-N242 WeakPolarHBondContact O-CB 3.48Å; K238-N242 PolarHBondContact O-N 3.32Å
239	L	65.4	Low	64.3	Low	0 Å²	0	72.4 Å²	72.4	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-66.4	-45.9	177.1	174.2	57	0	0	0	111.2	F91 F95 L208 L235 K237 E241 N242 L243 V252	F91-L239 HydrophobicContact CD1-CB 3.91Å; F91-L239 HydrophobicContact CD1-CD1 3.93Å; F91-L239 HydrophobicContact CD1-CD2 3.99Å; F91-L239 HydrophobicContact CD1-CG 4.14Å; F91-L239 HydrophobicContact CE1-CB 3.76Å; F91-L239 HydrophobicContact CE1-CD1 3.06Å; F91-L239 HydrophobicContact CE1-CD2 3.95Å; F91-L239 HydrophobicContact CE1-CG 3.74Å; F91-L239 HydrophobicContact CE2-CD1 4.23Å; F91-L239 HydrophobicContact CG-CD2 4.44Å; F91-L239 HydrophobicContact CZ-CD1 3.28Å; F91-L239 HydrophobicContact CZ-CD2 4.37Å; F91-L239 HydrophobicContact CZ-CG 4.32Å; F95-L239 HydrophobicContact CD2-CD1 3.62Å; F95-L239 HydrophobicContact CE2-CD1 3.99Å; F95-L239 HydrophobicContact CE2-CD2 4.27Å; L208-L239 HydrophobicContact CD1-CD2 3.86Å; L208-L239 HydrophobicContact CD2-CD2 3.84Å; L208-L239 HydrophobicContact CG-CD2 4.26Å; L235-L239 PolarHBondContact O-N 3.37Å; K237-L239 VanDerWaalsContact C-N 3.35Å; K237-L239 PolarHBondContact O-N 3.03Å; L239-E241 VanDerWaalsContact C-N 3.31Å; L239-E241 PolarHBondContact O-N 2.99Å; L239-N242 PolarHBondContact O-N 2.95Å; L239-L243 HydrophobicContact CD1-CD1 3.64Å; L239-L243 HydrophobicContact CD1-CD2 4.39Å; L239-L243 HydrophobicContact CD1-CG 3.78Å; L239-L243 HydrophobicContact CG-CD1 3.87Å; L239-L243 HydrophobicContact CG-CG 4.42Å; L239-L243 WeakPolarHBondContact O-CG 3.04Å; L239-L243 PolarHBondContact O-N 2.8Å; L239-V252 HydrophobicContact CB-CG1 4.47Å; L239-V252 HydrophobicContact CB-CG2 4.5Å; L239-V252 HydrophobicContact CD2-CB 4.46Å; L239-V252 HydrophobicContact CD2-CG1 3.66Å; L239-V252 HydrophobicContact CD2-CG2 3.88Å; L239-V252 HydrophobicContact CG-CG1 4.31Å; L239-V252 HydrophobicContact CG-CG2 3.93Å
240	H	68.4	Low	64.2	Low	59 Å²	59	68.4 Å²	68.4	27%	0.273	37%	0.367	S	S	.	.	H	α-helix	trans	-58.4	-44.2	176.5	-176.8	74.2	0	0	0	111.5	T236 K237 L243 L244 Y250 V252	T236-H240 VanDerWaalsContact O-CB 3.25Å; T236-H240 WeakPolarHBondContact O-CB 3.4Å; T236-H240 PolarHBondContact O-N 3.38Å; K237-H240 PolarHBondContact O-N 2.82Å; H240-L243 PolarHBondContact O-N 3.37Å; H240-L244 VanDerWaalsContact CD2-CD1 3.48Å; H240-L244 WeakPolarHBondContact CD2-CD1 3.35Å; H240-L244 VanDerWaalsContact NE2-CD1 3.26Å; H240-L244 WeakPolarHBondContact NE2-CD1 3.34Å; H240-L244 WeakPolarHBondContact O-CB 3.43Å; H240-L244 WeakPolarHBondContact O-CG 3.37Å; H240-L244 PolarHBondContact O-N 2.96Å; H240-Y250 PolarHBondContact CE1-O 2.78Å; H240-Y250 PolarHBondContact ND1-O 3.42Å; H240-V252 HydrophobicContact CB-CG2 4.47Å
241	E	71.7	Confident	64.4	Low	84 Å²	84	69 Å²	69	39%	0.393	36%	0.357	S	S	.	.	H	α-helix	trans	-63.2	-42.3	175.2	-73.7	172.2	179.2	0	0	112.5	K237 K238 L239 L243 L244 N245	K237-E241 WeakPolarHBondContact CE-OE1 3.22Å; K237-E241 WeakPolarHBondContact O-CB 3.16Å; K237-E241 WeakPolarHBondContact O-CG 3.4Å; K237-E241 PolarHBondContact O-N 3.43Å; K238-E241 PolarHBondContact O-N 3.47Å; L239-E241 VanDerWaalsContact C-N 3.31Å; L239-E241 PolarHBondContact O-N 2.99Å; E241-L243 PolarHBondContact O-N 3.15Å; E241-L244 PolarHBondContact O-N 3.43Å; E241-N245 WeakPolarHBondContact O-CB 3.48Å; E241-N245 PolarHBondContact O-N 3.43Å; E241-N245 PolarHBondContact O-ND2 3.49Å
242	N	70.2	Confident	64.7	Low	37 Å²	37	63.9 Å²	63.9	20%	0.198	33%	0.334	C	S	.	.	H	α-helix	trans	-61.6	-44.8	177	-168.5	-75.9	0	0	0	111.8	G93 K238 L239 N245 K246	G93-N242 WeakPolarHBondContact O-CB 3.26Å; G93-N242 PolarHBondContact O-ND2 3.4Å; K238-N242 WeakPolarHBondContact O-CB 3.48Å; K238-N242 PolarHBondContact O-N 3.32Å; L239-N242 PolarHBondContact O-N 2.95Å; N242-N245 PolarHBondContact O-N 2.99Å; N242-K246 PolarHBondContact O-N 3.23Å; N242-K246 WeakPolarHBondContact OD1-CE 3.3Å; N242-K246 PolarHBondContact OD1-NZ 2.92Å
243	L	65.1	Low	64.7	Low	1 Å²	1	57 Å²	57	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-69.1	-40.5	179	-65.7	170.9	0	0	0	111.6	F95 I206 L239 H240 E241 N245 K246 G247 E248 Y250 V252	F95-L243 HydrophobicContact CB-CD2 4.21Å; F95-L243 HydrophobicContact CD2-CD2 4.32Å; F95-L243 HydrophobicContact CG-CD2 4.46Å; I206-L243 HydrophobicContact CD1-CD1 3.9Å; L239-L243 HydrophobicContact CD1-CD1 3.64Å; L239-L243 HydrophobicContact CD1-CD2 4.39Å; L239-L243 HydrophobicContact CD1-CG 3.78Å; L239-L243 HydrophobicContact CG-CD1 3.87Å; L239-L243 HydrophobicContact CG-CG 4.42Å; L239-L243 WeakPolarHBondContact O-CG 3.04Å; L239-L243 PolarHBondContact O-N 2.8Å; H240-L243 PolarHBondContact O-N 3.37Å; E241-L243 PolarHBondContact O-N 3.15Å; L243-N245 VanDerWaalsContact C-N 3.34Å; L243-N245 PolarHBondContact O-N 3.15Å; L243-K246 WeakPolarHBondContact O-CA 3.25Å; L243-K246 WeakPolarHBondContact O-CB 3.06Å; L243-K246 PolarHBondContact O-N 3.39Å; L243-K246 VanDerWaalsContact O-N 3.08Å; L243-G247 PolarHBondContact O-N 3.43Å; L243-E248 CarbonylContact C-O 3.59Å; L243-E248 VanDerWaalsContact C-O 3.27Å; L243-E248 WeakPolarHBondContact O-CB 3.04Å; L243-E248 PolarHBondContact O-N 3.42Å; L243-Y250 HydrophobicContact CB-CD2 3.56Å; L243-Y250 HydrophobicContact CB-CE2 3.81Å; L243-Y250 HydrophobicContact CD1-CD1 4.32Å; L243-Y250 HydrophobicContact CD1-CD2 3.43Å; L243-Y250 VanDerWaalsContact CD1-CD2 3.43Å; L243-Y250 HydrophobicContact CD1-CE2 3.82Å; L243-Y250 HydrophobicContact CD1-CG 3.67Å; L243-Y250 HydrophobicContact CD2-CD2 4.2Å; L243-Y250 HydrophobicContact CD2-CE2 3.75Å; L243-Y250 HydrophobicContact CG-CD2 3.91Å; L243-Y250 HydrophobicContact CG-CE2 3.98Å; L243-V252 HydrophobicContact CD1-CG2 4.45Å
244	L	69.9	Low	64.3	Low	74 Å²	74	55.3 Å²	55.3	39%	0.387	29%	0.288	S	S	.	.	H	α-helix	trans	-61.3	-41.4	173.5	-81.4	177.3	0	0	0	112.2	H240 E241 K246 G247 E248 L249	H240-L244 VanDerWaalsContact CD2-CD1 3.48Å; H240-L244 WeakPolarHBondContact CD2-CD1 3.35Å; H240-L244 VanDerWaalsContact NE2-CD1 3.26Å; H240-L244 WeakPolarHBondContact NE2-CD1 3.34Å; H240-L244 WeakPolarHBondContact O-CB 3.43Å; H240-L244 WeakPolarHBondContact O-CG 3.37Å; H240-L244 PolarHBondContact O-N 2.96Å; E241-L244 PolarHBondContact O-N 3.43Å; L244-K246 PolarHBondContact O-N 2.88Å; L244-G247 WeakPolarHBondContact O-CA 3.43Å; L244-G247 PolarHBondContact O-N 3.43Å; L244-E248 WeakPolarHBondContact CA-O 3.34Å; L244-E248 PolarHBondContact N-O 3.48Å; L244-L249 HydrophobicContact CD2-CD1 4.01Å
245	N	74.3	Confident	63.7	Low	145 Å²	145	50.4 Å²	50.4	78%	0.775	27%	0.268	S	S	*	.	H	α-helix	trans	-63.6	-22.7	176.4	-72.6	-22.2	0	0	0	112.4	E241 N242 L243 G247	E241-N245 WeakPolarHBondContact O-CB 3.48Å; E241-N245 PolarHBondContact O-N 3.43Å; E241-N245 PolarHBondContact O-ND2 3.49Å; N242-N245 PolarHBondContact O-N 2.99Å; L243-N245 VanDerWaalsContact C-N 3.34Å; L243-N245 PolarHBondContact O-N 3.15Å; N245-G247 VanDerWaalsContact C-N 3.26Å
246	K	67.5	Low	62.8	Low	84 Å²	84	51.7 Å²	51.7	37%	0.365	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	4.1	171.5	-71.4	170.7	173.3	158.9	0	113.4	F95 N242 L243 L244 E248	F95-K246 PolarHBondContact O-NZ 2.96Å; N242-K246 PolarHBondContact O-N 3.23Å; N242-K246 WeakPolarHBondContact OD1-CE 3.3Å; N242-K246 PolarHBondContact OD1-NZ 2.92Å; L243-K246 WeakPolarHBondContact O-CA 3.25Å; L243-K246 WeakPolarHBondContact O-CB 3.06Å; L243-K246 PolarHBondContact O-N 3.39Å; L243-K246 VanDerWaalsContact O-N 3.08Å; L244-K246 PolarHBondContact O-N 2.88Å; K246-E248 HydrophobicContact CB-CG 4.48Å
247	G	64.9	Low	62	Low	73 Å²	73	57 Å²	57	75%	0.753	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	20.3	-178.9	0	0	0	0	0	113.6	L243 L244 N245	L243-G247 PolarHBondContact O-N 3.43Å; L244-G247 WeakPolarHBondContact O-CA 3.43Å; L244-G247 PolarHBondContact O-N 3.43Å; N245-G247 VanDerWaalsContact C-N 3.26Å
248	E	61.7	Low	60.6	Low	13 Å²	13	58 Å²	58	6%	0.061	30%	0.301	C	S	.	.			trans	-119.8	134.3	-172.7	-57.9	172.2	-163	0	0	111.7	K143 N147 L243 L244 K246 Y250	K143-E248 WeakPolarHBondContact CD-OE1 3.38Å; K143-E248 WeakPolarHBondContact CE-OE1 3.37Å; K143-E248 IonicContact NZ-OE1 3.46Å; K143-E248 PolarHBondContact NZ-OE1 3.22Å; N147-E248 PolarHBondContact ND2-OE2 2.89Å; L243-E248 CarbonylContact C-O 3.59Å; L243-E248 VanDerWaalsContact C-O 3.27Å; L243-E248 WeakPolarHBondContact O-CB 3.04Å; L243-E248 PolarHBondContact O-N 3.42Å; L244-E248 WeakPolarHBondContact CA-O 3.34Å; L244-E248 PolarHBondContact N-O 3.48Å; K246-E248 HydrophobicContact CB-CG 4.48Å; E248-Y250 HydrophobicContact CB-CD2 4Å; E248-Y250 HydrophobicContact CB-CE2 3.32Å; E248-Y250 HydrophobicContact CG-CE2 4.28Å; E248-Y250 WeakPolarHBondContact OE2-CE2 3.37Å; E248-Y250 VanDerWaalsContact OE2-CZ 3.3Å; E248-Y250 PolarHBondContact OE2-OH 2.8Å
249	L	61.4	Low	58.8	Low	77 Å²	77	55.6 Å²	55.6	40%	0.403	30%	0.298	S	S	.	.			trans	-98.4	125.6	177.4	-174.6	68.2	0	0	0	110.5	L244	L244-L249 HydrophobicContact CD2-CD1 4.01Å
250	Y	58.4	Low	57.4	Low	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.322	C	S	.	.			trans	-140.6	151	174.2	-61.9	-100.9	0	0	0	110.1	Q144 N147 D204 I206 H240 L243 E248	Q144-Y250 VanDerWaalsContact CA-OH 3.28Å; Q144-Y250 WeakPolarHBondContact CA-OH 3.42Å; Q144-Y250 HydrophobicContact CB-CD1 4.37Å; Q144-Y250 HydrophobicContact CB-CE1 3.57Å; Q144-Y250 HydrophobicContact CG-CD1 4.33Å; Q144-Y250 HydrophobicContact CG-CE1 3.64Å; Q144-Y250 HydrophobicContact CG-CE2 4.27Å; N147-Y250 HydrophobicContact CB-CE1 4.06Å; N147-Y250 PolarHBondContact ND2-OH 3Å; D204-Y250 HydrophobicContact CB-CD1 4.18Å; D204-Y250 WeakPolarHBondContact O-CA 3.31Å; D204-Y250 WeakPolarHBondContact O-CB 3.5Å; I206-Y250 HydrophobicContact CD1-CD1 3.75Å; I206-Y250 HydrophobicContact CD1-CE1 4.04Å; I206-Y250 HydrophobicContact CD1-CG 4.35Å; I206-Y250 HydrophobicContact CG1-CD1 4.04Å; H240-Y250 PolarHBondContact CE1-O 2.78Å; H240-Y250 PolarHBondContact ND1-O 3.42Å; L243-Y250 HydrophobicContact CB-CD2 3.56Å; L243-Y250 HydrophobicContact CB-CE2 3.81Å; L243-Y250 HydrophobicContact CD1-CD1 4.32Å; L243-Y250 HydrophobicContact CD1-CD2 3.43Å; L243-Y250 VanDerWaalsContact CD1-CD2 3.43Å; L243-Y250 HydrophobicContact CD1-CE2 3.82Å; L243-Y250 HydrophobicContact CD1-CG 3.67Å; L243-Y250 HydrophobicContact CD2-CD2 4.2Å; L243-Y250 HydrophobicContact CD2-CE2 3.75Å; L243-Y250 HydrophobicContact CG-CD2 3.91Å; L243-Y250 HydrophobicContact CG-CE2 3.98Å; E248-Y250 HydrophobicContact CB-CD2 4Å; E248-Y250 HydrophobicContact CB-CE2 3.32Å; E248-Y250 HydrophobicContact CG-CE2 4.28Å; E248-Y250 WeakPolarHBondContact OE2-CE2 3.37Å; E248-Y250 VanDerWaalsContact OE2-CZ 3.3Å; E248-Y250 PolarHBondContact OE2-OH 2.8Å
251	L	57.4	Low	55.8	Low	67 Å²	67	63.3 Å²	63.3	35%	0.351	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121.9	163.7	-72.9	79.8	0	0	0	108.4	D204 L205 I206	D204-L251 PolarHBondContact O-N 3.01Å; D204-L251 VanDerWaalsContact O-N 3.16Å; L205-L251 WeakPolarHBondContact CA-O 3.39Å; L205-L251 HydrophobicContact CD2-CB 3.52Å; L205-L251 WeakPolarHBondContact CD2-O 3.22Å; I206-L251 PolarHBondContact N-O 2.99Å
252	V	54.7	Low	53.9	Low	10 Å²	10	66.2 Å²	66.2	6%	0.061	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	142	-168.2	175.8	0	0	0	0	109.9	L208 T236 L239 H240 L243	L208-V252 HydrophobicContact CD1-CG1 3.15Å; L208-V252 HydrophobicContact CD2-CG1 4.5Å; L208-V252 HydrophobicContact CG-CG1 3.61Å; T236-V252 HydrophobicContact CG2-CB 3.69Å; T236-V252 HydrophobicContact CG2-CG1 3.74Å; T236-V252 VanDerWaalsContact CG2-O 3.23Å; T236-V252 WeakPolarHBondContact CG2-O 3.37Å; L239-V252 HydrophobicContact CB-CG1 4.47Å; L239-V252 HydrophobicContact CB-CG2 4.5Å; L239-V252 HydrophobicContact CD2-CB 4.46Å; L239-V252 HydrophobicContact CD2-CG1 3.66Å; L239-V252 HydrophobicContact CD2-CG2 3.88Å; L239-V252 HydrophobicContact CG-CG1 4.31Å; L239-V252 HydrophobicContact CG-CG2 3.93Å; H240-V252 HydrophobicContact CB-CG2 4.47Å; L243-V252 HydrophobicContact CD1-CG2 4.45Å
253	L	55.1	Low	52.1	Low	10 Å²	10	70.9 Å²	70.9	5%	0.052	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	108.6	-166.2	-57.4	172.3	0	0	0	113.4	L205 I206 L208 V289	L205-L253 HydrophobicContact CB-CD1 4.07Å; L205-L253 HydrophobicContact CD1-CD1 4.47Å; I206-L253 PolarHBondContact O-N 3.32Å; L208-L253 WeakPolarHBondContact CA-O 3.5Å; L208-L253 WeakPolarHBondContact CB-O 3.36Å; L208-L253 PolarHBondContact N-O 3.21Å; L253-V289 HydrophobicContact CD1-CG1 3.98Å
254	S	52	Low	50.6	Low	2 Å²	2	74.5 Å²	74.5	1%	0.014	39%	0.391	C	S	.	.			trans	-134.4	98	164.2	51.1	0	0	0	0	112.8	N233 T236	N233-S254 PolarHBondContact ND2-OG 3.39Å; T236-S254 PolarHBondContact OG1-OG 3.21Å
255	S	55.6	Low	48.8	Very low	29 Å²	29	76.9 Å²	76.9	20%	0.203	40%	0.404	C	S	.	.			trans	-150.7	127.8	172.5	176.8	0	0	0	0	111.2	I212 V229	I212-S255 WeakPolarHBondContact CD1-O 3.44Å; I212-S255 WeakPolarHBondContact CG1-O 3.35Å; V229-S255 WeakPolarHBondContact O-CB 3.33Å
256	Y	44.1	Very low	46.9	Very low	73 Å²	73	77.9 Å²	77.9	29%	0.286	40%	0.404	S	S	.	.			trans	-131.8	119.4	160.2	176.1	-99.7	0	0	0	106	R211 E258	R211-Y256 HydrophobicContact CB-CD1 4.27Å; R211-Y256 HydrophobicContact CB-CD2 3.54Å; R211-Y256 HydrophobicContact CB-CE2 4.17Å; R211-Y256 HydrophobicContact CB-CG 3.58Å; R211-Y256 HydrophobicContact CG-CG 4.46Å; R211-Y256 VanDerWaalsContact O-CD2 3.23Å; R211-Y256 WeakPolarHBondContact O-CD2 3.42Å; Y256-E258 HydrophobicContact CE1-CG 4.45Å
257	H	46.3	Very low	45.1	Very low	125 Å²	125	80.9 Å²	80.9	58%	0.579	42%	0.421	S	S	*	.			trans	-97.2	112.5	178.8	-139.8	-80.2	0	0	0	109	S259 A260	H257-S259 PolarHBondContact CE1-OG 2.86Å; H257-S259 VanDerWaalsContact CE1-OG 3.31Å; H257-S259 PolarHBondContact ND1-OG 2.9Å; H257-S259 PolarHBondContact O-N 2.67Å; H257-S259 VanDerWaalsContact O-N 3.13Å; H257-A260 WeakPolarHBondContact O-CB 3.27Å; H257-A260 PolarHBondContact O-N 2.78Å; H257-A260 VanDerWaalsContact O-N 3.12Å
258	E	37.7	Very low	43.2	Very low	146 Å²	146	84.8 Å²	84.8	68%	0.682	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.4	-176.4	-136.5	145.3	-152.3	0	0	112.6	Y256 A260 R261	Y256-E258 HydrophobicContact CE1-CG 4.45Å; E258-A260 VanDerWaalsContact C-N 3.33Å; E258-A260 PolarHBondContact O-N 2.87Å; E258-R261 PolarHBondContact O-N 3.07Å
259	S	33.4	Very low	41.5	Very low	59 Å²	59	89.5 Å²	89.5	41%	0.413	45%	0.454	S	S	.	.	H	α-helix	trans	-62.7	-32.7	176.3	-33.7	0	0	0	0	113.9	H257 R261 Q262 E263	H257-S259 PolarHBondContact CE1-OG 2.86Å; H257-S259 VanDerWaalsContact CE1-OG 3.31Å; H257-S259 PolarHBondContact ND1-OG 2.9Å; H257-S259 PolarHBondContact O-N 2.67Å; H257-S259 VanDerWaalsContact O-N 3.13Å; S259-R261 PolarHBondContact O-N 2.92Å; S259-Q262 PolarHBondContact O-N 3.24Å; S259-E263 PolarHBondContact O-N 3.32Å
260	A	35.2	Very low	39.7	Very low	61 Å²	61	92.3 Å²	92.3	50%	0.504	48%	0.475	S	S	.	.	H	α-helix	trans	-62.9	-27.7	-179.5	0	0	0	0	0	111.6	H257 E258	H257-A260 WeakPolarHBondContact O-CB 3.27Å; H257-A260 PolarHBondContact O-N 2.78Å; H257-A260 VanDerWaalsContact O-N 3.12Å; E258-A260 VanDerWaalsContact C-N 3.33Å; E258-A260 PolarHBondContact O-N 2.87Å
261	R	36.4	Very low	38	Very low	159 Å²	159	99.2 Å²	99.2	60%	0.6	51%	0.509	S	S	*	.	H	α-helix	trans	-80.6	-23.1	176.7	-153	179.3	-172	171.5	0.6	113.6	E258 S259 L264	E258-R261 PolarHBondContact O-N 3.07Å; S259-R261 PolarHBondContact O-N 2.92Å; R261-L264 WeakPolarHBondContact O-CB 3.19Å
262	Q	30.6	Very low	36.3	Very low	145 Å²	145	101.6 Å²	101.6	68%	0.678	53%	0.531	S	S	*	.	H	α-helix	trans	-80.8	-32.9	179.2	-83.2	-176.7	-27.1	0	0	112.6	S259 L264	S259-Q262 PolarHBondContact O-N 3.24Å; Q262-L264 VanDerWaalsContact C-N 3.35Å
263	E	33	Very low	34.8	Very low	135 Å²	135	109.9 Å²	109.9	63%	0.631	56%	0.563	S	S	*	*	H	α-helix	trans	-68.9	-33.3	172.5	-73.8	-177.5	164.7	0	0	112.2	S259 N265 Q266	S259-E263 PolarHBondContact O-N 3.32Å; E263-N265 PolarHBondContact O-N 2.95Å; E263-Q266 PolarHBondContact O-N 3.08Å
264	L	32.9	Very low	33.2	Very low	77 Å²	77	117.9 Å²	117.9	40%	0.403	60%	0.6	S	S	.	*	H	α-helix	trans	-52.5	-55.2	171.8	-145.7	-174.6	0	0	0	112.1	E219 R261 Q262 Q266 M267	E219-L264 HydrophobicContact CB-CD1 4.25Å; E219-L264 HydrophobicContact CG-CD1 4.11Å; E219-L264 HydrophobicContact CG-CG 4.41Å; E219-L264 WeakPolarHBondContact OE2-CD1 3.43Å; R261-L264 WeakPolarHBondContact O-CB 3.19Å; Q262-L264 VanDerWaalsContact C-N 3.35Å; L264-Q266 PolarHBondContact O-N 2.72Å; L264-M267 PolarHBondContact O-N 2.77Å; L264-M267 VanDerWaalsContact O-N 3.15Å
265	N	32.1	Very low	31.9	Very low	124 Å²	124	124.1 Å²	124.1	66%	0.663	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-8	-174.5	-72.2	-16.9	0	0	0	114.8	E263	E263-N265 PolarHBondContact O-N 2.95Å
266	Q	34.7	Very low	30.5	Very low	167 Å²	167	130.7 Å²	130.7	78%	0.78	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-10.8	177.6	-75.2	-173.8	-6	0	0	114	E263 L264 D268	E263-Q266 PolarHBondContact O-N 3.08Å; L264-Q266 PolarHBondContact O-N 2.72Å; Q266-D268 VanDerWaalsContact C-N 3.33Å
267	M	29.1	Very low	29.6	Very low	147 Å²	147	133.6 Å²	133.6	72%	0.724	69%	0.691	S	S	*	*			trans	-91.5	12.7	178.3	-67	-167	-154.5	0	0	114.1	L264 T269	L264-M267 PolarHBondContact O-N 2.77Å; L264-M267 VanDerWaalsContact O-N 3.15Å; M267-T269 PolarHBondContact O-N 3.23Å
268	D	25.4	Very low	28.7	Very low	154 Å²	154	134.3 Å²	134.3	82%	0.824	70%	0.704	S	S	*	*			trans	-76.7	71	177.2	-135.3	-0	0	0	0	110.3	Q266	Q266-D268 VanDerWaalsContact C-N 3.33Å
269	T	25.3	Very low	28.2	Very low	113 Å²	113	132.9 Å²	132.9	69%	0.693	71%	0.706	S	S	*	*			trans	-138.9	94	167.9	17.7	0	0	0	0	110.6	M267	M267-T269 PolarHBondContact O-N 3.23Å
270	T	24.2	Very low	28	Very low	136 Å²	136	136 Å²	136	83%	0.834	72%	0.722	S	S	*	*			trans	39.9	91.6	146.5	34.6	0	0	0	0	116.9
271	M	22.8	Very low	28	Very low	145 Å²	145	138.5 Å²	138.5	71%	0.714	73%	0.731	S	S	*	*			trans	-125.5	101.2	149.9	-93.7	-178.5	53	0	0	110.3	Y273	M271-Y273 HydrophobicContact CE-CD2 4.29Å; M271-Y273 HydrophobicContact CE-CE2 3.37Å; M271-Y273 PolarHBondContact O-N 3.25Å
272	S	21.6	Very low	28.4	Very low	117 Å²	117	133.5 Å²	133.5	82%	0.818	72%	0.719	S	S	*	*			trans	-71.9	112.6	166.8	55.1	0	0	0	0	109.4
273	Y	24.1	Very low	29.3	Very low	184 Å²	184	130.5 Å²	130.5	72%	0.722	71%	0.711	S	S	*	*			trans	-92.2	112.1	160.8	-88.9	-79.9	0	0	0	109.3	M271 T275	M271-Y273 HydrophobicContact CE-CD2 4.29Å; M271-Y273 HydrophobicContact CE-CE2 3.37Å; M271-Y273 PolarHBondContact O-N 3.25Å; Y273-T275 PolarHBondContact O-N 2.79Å
274	Q	21.1	Very low	30.3	Very low	178 Å²	178	124.6 Å²	124.6	83%	0.832	68%	0.683	S	S	*	*			trans	-69.3	116.2	159.7	-74.1	-178.2	-60.5	0	0	107.9
275	T	24.9	Very low	31.6	Very low	133 Å²	133	122.1 Å²	122.1	82%	0.816	67%	0.669	S	S	*	*			trans	-110.3	87.9	165.1	40.1	0	0	0	0	109	Y273	Y273-T275 PolarHBondContact O-N 2.79Å
276	E	24.8	Very low	32.9	Very low	167 Å²	167	116.7 Å²	116.7	78%	0.78	64%	0.641	S	S	*	*			trans	-86.8	141.1	156.1	-78.7	-178	161.8	0	0	108.8
277	T	26.2	Very low	34.4	Very low	133 Å²	133	109 Å²	109	82%	0.816	60%	0.604	S	S	*	*	S	Bend	trans	80.9	96.4	-178.7	67.3	0	0	0	0	116.5	T279	T277-T279 PolarHBondContact O-N 2.71Å; T277-T279 VanDerWaalsContact O-N 3.08Å
278	T	27.2	Very low	36	Very low	140 Å²	140	102.1 Å²	102.1	86%	0.859	57%	0.57	S	S	*	*			trans	-77.8	81.2	177.2	47.5	0	0	0	0	111.8
279	T	26.9	Very low	37.7	Very low	116 Å²	116	94.9 Å²	94.9	71%	0.712	53%	0.532	S	S	*	.			trans	-84.1	118.8	137.4	41.4	0	0	0	0	106.1	T277 T281	T277-T279 PolarHBondContact O-N 2.71Å; T277-T279 VanDerWaalsContact O-N 3.08Å; T279-T281 PolarHBondContact O-N 2.88Å; T279-T281 PolarHBondContact O-OG1 2.98Å
280	T	30.3	Very low	39.5	Very low	124 Å²	124	90.1 Å²	90.1	76%	0.761	50%	0.503	S	S	*	.			trans	-70.5	80	-178.5	41.3	0	0	0	0	110.7	T282	T280-T282 PolarHBondContact O-N 3.24Å; T280-T282 PolarHBondContact O-OG1 3.32Å
281	T	34.9	Very low	40.7	Very low	114 Å²	114	85.1 Å²	85.1	70%	0.699	47%	0.471	S	S	*	.			trans	-64.7	103.8	171.9	-32.9	0	0	0	0	107.8	T279 T283	T279-T281 PolarHBondContact O-N 2.88Å; T279-T281 PolarHBondContact O-OG1 2.98Å; T281-T283 PolarHBondContact O-N 3.29Å
282	T	44.3	Very low	41.8	Very low	55 Å²	55	82.8 Å²	82.8	34%	0.337	46%	0.458	S	S	.	.			trans	-87.2	102.5	-179.5	-64.6	0	0	0	0	108.2	T280 F317	T280-T282 PolarHBondContact O-N 3.24Å; T280-T282 PolarHBondContact O-OG1 3.32Å; T282-F317 VanDerWaalsContact CB-CZ 3.49Å; T282-F317 HydrophobicContact CG2-CE1 4.39Å; T282-F317 HydrophobicContact CG2-CE2 4.39Å; T282-F317 HydrophobicContact CG2-CZ 3.58Å; T282-F317 WeakPolarHBondContact O-CE1 3.42Å; T282-F317 WeakPolarHBondContact O-CZ 3.47Å
283	T	50	Low	42.6	Very low	82 Å²	82	78.6 Å²	78.6	50%	0.503	43%	0.433	S	S	.	.			trans	-76.1	132.8	179.8	-48.7	0	0	0	0	110.6	T281 F285	T281-T283 PolarHBondContact O-N 3.29Å; T283-F285 HydrophobicContact CG2-CD1 4.23Å; T283-F285 HydrophobicContact CG2-CE1 3.39Å; T283-F285 HydrophobicContact CG2-CE2 4.06Å; T283-F285 HydrophobicContact CG2-CZ 3.28Å
284	V	53.1	Low	43.2	Very low	10 Å²	10	76.1 Å²	76.1	6%	0.061	44%	0.437	C	S	.	.			trans	-116.8	124.3	177	-176.2	0	0	0	0	110.3	F186 F195 N196 V198 L286 F317	F186-V284 HydrophobicContact CE2-CG1 3.76Å; F186-V284 HydrophobicContact CZ-CG1 4.04Å; F195-V284 HydrophobicContact CD2-CG1 4.43Å; F195-V284 HydrophobicContact CE2-CG1 4.11Å; N196-V284 WeakPolarHBondContact O-CA 3.31Å; V198-V284 HydrophobicContact CG1-CG1 4.33Å; V284-L286 HydrophobicContact CG1-CD2 4.39Å; V284-F317 HydrophobicContact CG2-CD2 3.84Å; V284-F317 HydrophobicContact CG2-CE2 3.48Å; V284-F317 VanDerWaalsContact CG2-CE2 3.48Å; V284-F317 HydrophobicContact CG2-CZ 3.93Å
285	F	61.3	Low	44.3	Very low	25 Å²	25	71 Å²	71	11%	0.11	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	134.4	-174.9	-55.6	-72.3	0	0	0	111.7	N196 V198 C216 M221 T283	N196-F285 VanDerWaalsContact O-CD2 3.28Å; N196-F285 WeakPolarHBondContact O-CD2 3.24Å; N196-F285 PolarHBondContact O-N 3.39Å; V198-F285 WeakPolarHBondContact CG1-O 3.5Å; V198-F285 PolarHBondContact N-O 3.5Å; C216-F285 HydrophobicContact CB-CB 3.95Å; C216-F285 HydrophobicContact CB-CD2 4.29Å; C216-F285 HydrophobicContact CB-CG 4.36Å; C216-F285 VanDerWaalsContact SG-CB 3.55Å; M221-F285 VanDerWaalsContact CA-CD1 3.49Å; M221-F285 VanDerWaalsContact CA-CE1 3.47Å; M221-F285 HydrophobicContact CB-CD1 3.94Å; M221-F285 HydrophobicContact CB-CE1 3.45Å; M221-F285 VanDerWaalsContact CB-CE1 3.45Å; M221-F285 HydrophobicContact CB-CE2 4.35Å; M221-F285 HydrophobicContact CB-CZ 3.69Å; M221-F285 HydrophobicContact CE-CE1 4.38Å; M221-F285 HydrophobicContact CE-CE2 3.71Å; M221-F285 HydrophobicContact CE-CZ 3.43Å; M221-F285 VanDerWaalsContact CE-CZ 3.43Å; M221-F285 HydrophobicContact CG-CD1 3.92Å; M221-F285 HydrophobicContact CG-CD2 3.87Å; M221-F285 HydrophobicContact CG-CE1 3.59Å; M221-F285 HydrophobicContact CG-CE2 3.55Å; M221-F285 HydrophobicContact CG-CG 4.06Å; M221-F285 HydrophobicContact CG-CZ 3.39Å; M221-F285 WeakPolarHBondContact O-CD1 2.85Å; M221-F285 WeakPolarHBondContact O-CE1 3.39Å; M221-F285 HydrophobicContact SD-CE2 4.15Å; M221-F285 HydrophobicContact SD-CZ 4.16Å; T283-F285 HydrophobicContact CG2-CD1 4.23Å; T283-F285 HydrophobicContact CG2-CE1 3.39Å; T283-F285 HydrophobicContact CG2-CE2 4.06Å; T283-F285 HydrophobicContact CG2-CZ 3.28Å
286	L	58.5	Low	45.3	Very low	11 Å²	11	71.7 Å²	71.7	6%	0.058	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.2	-174	-46.9	176.2	0	0	0	110.8	F186 V198 F200 V224 V284 F288 A310 I313	F186-L286 HydrophobicContact CE2-CD2 4.32Å; V198-L286 HydrophobicContact CG1-CB 4.4Å; V198-L286 HydrophobicContact CG1-CD2 3.13Å; V198-L286 HydrophobicContact CG1-CG 4.29Å; F200-L286 HydrophobicContact CE2-CB 4.43Å; F200-L286 HydrophobicContact CE2-CD2 4.14Å; V224-L286 WeakPolarHBondContact CA-O 3.41Å; V224-L286 HydrophobicContact CG2-CB 4.47Å; V284-L286 HydrophobicContact CG1-CD2 4.39Å; L286-F288 HydrophobicContact CB-CE2 3.9Å; L286-A310 VanDerWaalsContact CD1-CA 3.48Å; L286-A310 HydrophobicContact CD1-CB 3.22Å; L286-I313 HydrophobicContact CD2-CG2 4.41Å
287	R	66	Low	46.6	Very low	5 Å²	5	72 Å²	72	2%	0.019	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	143.9	168.3	-61.3	-171.4	167.2	-137.3	10	110.9	V198 I199 F200 P213 G215 D217 T220 V225 L227	V198-R287 PolarHBondContact O-N 3Å; I199-R287 WeakPolarHBondContact CA-O 3.08Å; I199-R287 HydrophobicContact CG1-CB 4.14Å; F200-R287 PolarHBondContact N-O 3.16Å; P213-R287 PolarHBondContact O-NH1 3.36Å; G215-R287 PolarHBondContact O-NE 3.28Å; G215-R287 PolarHBondContact O-NH2 3.35Å; D217-R287 IonicContact OD1-NH2 2.8Å; T220-R287 PolarHBondContact OG1-NH2 2.91Å; V225-R287 HydrophobicContact CB-CG 4.16Å; V225-R287 CarbonylContact O-C 3.56Å; V225-R287 WeakPolarHBondContact O-CA 3.06Å; L227-R287 HydrophobicContact CD1-CB 4.27Å; L227-R287 HydrophobicContact CG-CB 4.38Å
288	F	62.9	Low	47.4	Very low	3 Å²	3	69 Å²	69	1%	0.013	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.1	179.2	-67.6	-96.3	0	0	0	111.2	M182 F200 V224 V225 H226 L227 L286 I306	M182-F288 HydrophobicContact SD-CD1 4.42Å; M182-F288 HydrophobicContact SD-CE1 4.21Å; F200-F288 HydrophobicContact CB-CD1 3.85Å; F200-F288 HydrophobicContact CB-CE1 4.07Å; F200-F288 AromaticContact CD2-CD1 3.78Å; F200-F288 HydrophobicContact CD2-CD1 3.78Å; F200-F288 HydrophobicContact CD2-CD2 4.42Å; F200-F288 AromaticContact CD2-CE1 3.28Å; F200-F288 HydrophobicContact CD2-CE1 3.28Å; F200-F288 AromaticContact CD2-CE2 3.99Å; F200-F288 HydrophobicContact CD2-CE2 3.99Å; F200-F288 HydrophobicContact CD2-CG 4.32Å; F200-F288 AromaticContact CD2-CZ 3.39Å; F200-F288 HydrophobicContact CD2-CZ 3.39Å; F200-F288 AromaticContact CE2-CE1 3.9Å; F200-F288 HydrophobicContact CE2-CE1 3.9Å; F200-F288 HydrophobicContact CE2-CE2 4.31Å; F200-F288 AromaticContact CE2-CZ 3.62Å; F200-F288 HydrophobicContact CE2-CZ 3.62Å; F200-F288 HydrophobicContact CG-CD1 4.15Å; F200-F288 AromaticContact CG-CE1 3.86Å; F200-F288 HydrophobicContact CG-CE1 3.86Å; F200-F288 HydrophobicContact CG-CZ 4.38Å; V224-F288 HydrophobicContact CG1-CD2 3.41Å; V224-F288 VanDerWaalsContact CG1-CD2 3.41Å; V224-F288 HydrophobicContact CG1-CE2 3.64Å; V225-F288 PolarHBondContact O-N 2.88Å; H226-F288 WeakPolarHBondContact CA-O 3.28Å; L227-F288 PolarHBondContact N-O 3.35Å; L286-F288 HydrophobicContact CB-CE2 3.9Å; F288-I306 HydrophobicContact CB-CD1 4.39Å; F288-I306 HydrophobicContact CD1-CB 4.37Å; F288-I306 HydrophobicContact CD1-CD1 3.76Å; F288-I306 HydrophobicContact CD1-CG1 3.75Å; F288-I306 HydrophobicContact CD1-CG2 3.79Å; F288-I306 HydrophobicContact CD2-CG2 3.51Å; F288-I306 HydrophobicContact CE1-CB 4.13Å; F288-I306 HydrophobicContact CE1-CD1 4.3Å; F288-I306 HydrophobicContact CE1-CG1 3.76Å; F288-I306 HydrophobicContact CE1-CG2 3.57Å; F288-I306 HydrophobicContact CE2-CG2 3.29Å; F288-I306 HydrophobicContact CG-CD1 4.08Å; F288-I306 HydrophobicContact CG-CG1 4.37Å; F288-I306 HydrophobicContact CG-CG2 3.77Å; F288-I306 HydrophobicContact CZ-CB 4.27Å; F288-I306 HydrophobicContact CZ-CG1 4.4Å; F288-I306 HydrophobicContact CZ-CG2 3.34Å
289	V	62.2	Low	48.3	Very low	2 Å²	2	64.4 Å²	64.4	1%	0.012	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	59.4	169.4	-154.4	0	0	0	0	105.9	I199 F200 H201 D202 L205 L227 L253	I199-V289 HydrophobicContact CG2-CG2 3.55Å; F200-V289 WeakPolarHBondContact O-CA 3.15Å; F200-V289 PolarHBondContact O-N 3Å; H201-V289 HydrophobicContact CB-CB 4.38Å; H201-V289 HydrophobicContact CB-CG2 4.45Å; D202-V289 PolarHBondContact N-O 3.32Å; D202-V289 VanDerWaalsContact N-O 3.12Å; L205-V289 HydrophobicContact CB-CG1 4.5Å; L205-V289 HydrophobicContact CD1-CB 4.4Å; L205-V289 HydrophobicContact CD1-CG1 3.79Å; L205-V289 WeakPolarHBondContact CD1-O 3.37Å; L227-V289 HydrophobicContact CB-CG1 4.3Å; L227-V289 HydrophobicContact CB-CG2 3.84Å; L227-V289 HydrophobicContact CD1-CG2 3.66Å; L227-V289 HydrophobicContact CG-CG2 4.01Å; L253-V289 HydrophobicContact CD1-CG1 3.98Å
290	S	62.1	Low	49.4	Very low	12 Å²	12	62.9 Å²	62.9	8%	0.084	35%	0.349	C	S	.	.			trans	-160.3	94.1	-175.1	-170.6	0	0	0	0	110.1	D202	D202-S290 WeakPolarHBondContact OD1-CB 3.37Å; D202-S290 PolarHBondContact OD1-OG 2.97Å; D202-S290 PolarHBondContact OD2-OG 3.16Å
291	I	50.2	Low	50.7	Low	31 Å²	31	64 Å²	64	16%	0.159	34%	0.34	C	S	.	.			trans	-147.3	120.2	158	-41.3	176.1	0	0	0	110.5	H226 I299 A302 Y303	H226-I291 WeakPolarHBondContact CD2-CD1 3.31Å; H226-I291 VanDerWaalsContact NE2-CD1 3.26Å; H226-I291 WeakPolarHBondContact NE2-CD1 3.25Å; H226-I291 WeakPolarHBondContact NE2-CG1 3.47Å; I291-I299 HydrophobicContact CD1-CG2 4.24Å; I291-I299 HydrophobicContact CG2-CB 4.11Å; I291-I299 HydrophobicContact CG2-CG1 3.76Å; I291-I299 HydrophobicContact CG2-CG2 4.08Å; I291-A302 HydrophobicContact CG2-CB 4.3Å; I291-Y303 HydrophobicContact CD1-CD1 4.42Å; I291-Y303 HydrophobicContact CD1-CD2 3.84Å; I291-Y303 HydrophobicContact CD1-CE1 3.78Å; I291-Y303 HydrophobicContact CD1-CE2 3.11Å; I291-Y303 HydrophobicContact CD1-CG 4.45Å; I291-Y303 WeakPolarHBondContact CD1-OH 3.5Å
292	H	45.2	Very low	51.3	Low	97 Å²	97	60 Å²	60	45%	0.449	32%	0.319	S	S	.	.			trans	-125.7	48.4	-176.5	-171.2	-58.5	0	0	0	109.7
293	G	39.2	Very low	51.7	Low	29 Å²	29	61.2 Å²	61.2	30%	0.299	32%	0.318	S	S	.	.			trans	-83.3	133.3	-178.8	0	0	0	0	0	112	T295	G293-T295 VanDerWaalsContact C-N 3.25Å
294	T	36.5	Very low	52.1	Low	131 Å²	131	63.6 Å²	63.6	80%	0.804	32%	0.322	S	S	*	.	S	Bend	trans	-73.7	-22.9	172.9	52.1	0	0	0	0	111.6	D298	T294-D298 PolarHBondContact OG1-OD2 3.29Å; T294-D298 VanDerWaalsContact OG1-OD2 3.04Å
295	T	44	Very low	52.2	Low	71 Å²	71	68 Å²	68	44%	0.436	34%	0.34	S	S	.	.	S	Bend	trans	-134.2	161.9	176.7	74.5	0	0	0	0	112.3	G293 K297 D298 I299	G293-T295 VanDerWaalsContact C-N 3.25Å; T295-K297 PolarHBondContact O-N 2.82Å; T295-K297 PolarHBondContact OG1-N 2.93Å; T295-D298 WeakPolarHBondContact CB-OD2 3.48Å; T295-D298 PolarHBondContact N-OD2 2.97Å; T295-D298 WeakPolarHBondContact O-CB 3.48Å; T295-D298 PolarHBondContact O-N 3.25Å; T295-D298 VanDerWaalsContact OG1-CG 3.28Å; T295-D298 PolarHBondContact OG1-N 3.36Å; T295-D298 PolarHBondContact OG1-OD2 2.93Å; T295-I299 PolarHBondContact O-N 2.92Å; T295-I299 VanDerWaalsContact O-N 3.14Å
296	M	46.3	Very low	51.8	Low	148 Å²	148	67.8 Å²	67.8	73%	0.729	34%	0.339	S	S	*	.	H	α-helix	trans	-60.9	-27	176.5	-158.9	60	65.3	0	0	113	I299 D300	M296-I299 PolarHBondContact O-N 3.3Å; M296-I299 HydrophobicContact SD-CB 4.4Å; M296-I299 HydrophobicContact SD-CD1 4.05Å; M296-I299 HydrophobicContact SD-CG2 4.41Å; M296-D300 PolarHBondContact O-N 2.86Å
297	K	50.4	Low	51.4	Low	174 Å²	174	69.7 Å²	69.7	76%	0.757	36%	0.357	S	S	*	.	H	α-helix	trans	-69.5	-36.6	173.2	-77.5	-175.6	177.4	179	0	112.2	T295 I299 D300 Y301	T295-K297 PolarHBondContact O-N 2.82Å; T295-K297 PolarHBondContact OG1-N 2.93Å; K297-I299 VanDerWaalsContact C-N 3.29Å; K297-D300 PolarHBondContact O-N 3.2Å; K297-Y301 VanDerWaalsContact O-CB 3.3Å; K297-Y301 WeakPolarHBondContact O-CB 3.44Å; K297-Y301 PolarHBondContact O-N 3.25Å
298	D	43	Very low	50.7	Low	68 Å²	68	72.5 Å²	72.5	36%	0.364	38%	0.377	S	S	.	.	H	α-helix	trans	-67.3	-37.7	176.1	-55.8	-51.9	0	0	0	110.6	T294 T295 A302	T294-D298 PolarHBondContact OG1-OD2 3.29Å; T294-D298 VanDerWaalsContact OG1-OD2 3.04Å; T295-D298 WeakPolarHBondContact CB-OD2 3.48Å; T295-D298 PolarHBondContact N-OD2 2.97Å; T295-D298 WeakPolarHBondContact O-CB 3.48Å; T295-D298 PolarHBondContact O-N 3.25Å; T295-D298 VanDerWaalsContact OG1-CG 3.28Å; T295-D298 PolarHBondContact OG1-N 3.36Å; T295-D298 PolarHBondContact OG1-OD2 2.93Å; D298-A302 VanDerWaalsContact O-CB 3.24Å; D298-A302 WeakPolarHBondContact O-CB 3.33Å; D298-A302 PolarHBondContact O-N 3.16Å
299	I	46.1	Very low	50.2	Low	45 Å²	45	72.9 Å²	72.9	23%	0.231	38%	0.38	C	S	.	.	H	α-helix	trans	-61.6	-52	172	-63.9	177.4	0	0	0	110.3	I291 T295 M296 K297 Y301 A302 Y303	I291-I299 HydrophobicContact CD1-CG2 4.24Å; I291-I299 HydrophobicContact CG2-CB 4.11Å; I291-I299 HydrophobicContact CG2-CG1 3.76Å; I291-I299 HydrophobicContact CG2-CG2 4.08Å; T295-I299 PolarHBondContact O-N 2.92Å; T295-I299 VanDerWaalsContact O-N 3.14Å; M296-I299 PolarHBondContact O-N 3.3Å; M296-I299 HydrophobicContact SD-CB 4.4Å; M296-I299 HydrophobicContact SD-CD1 4.05Å; M296-I299 HydrophobicContact SD-CG2 4.41Å; K297-I299 VanDerWaalsContact C-N 3.29Å; I299-Y301 VanDerWaalsContact C-N 3.34Å; I299-Y301 PolarHBondContact O-N 2.92Å; I299-A302 PolarHBondContact O-N 3.43Å; I299-Y303 HydrophobicContact CG2-CD2 3.67Å; I299-Y303 HydrophobicContact CG2-CE2 3.57Å; I299-Y303 VanDerWaalsContact O-CD2 3.27Å; I299-Y303 WeakPolarHBondContact O-CD2 3.47Å; I299-Y303 PolarHBondContact O-N 2.81Å
300	D	51.5	Low	49.7	Very low	84 Å²	84	73.2 Å²	73.2	45%	0.449	38%	0.383	S	S	.	.	H	α-helix	trans	-60.6	-41.2	178.5	-170.2	61.5	0	0	0	112.5	M296 K297 Y303 K304	M296-D300 PolarHBondContact O-N 2.86Å; K297-D300 PolarHBondContact O-N 3.2Å; D300-Y303 PolarHBondContact O-N 3.45Å; D300-K304 PolarHBondContact O-N 3.15Å; D300-K304 IonicContact OD2-NZ 2.96Å; D300-K304 PolarHBondContact OD2-NZ 3.5Å
301	Y	56.4	Low	49.4	Very low	146 Å²	146	76.2 Å²	76.2	57%	0.573	40%	0.401	S	S	*	.	H	α-helix	trans	-65	-43.5	176.3	179	-98.7	0	0	0	111.9	K297 I299 Y303 K304 K305	K297-Y301 VanDerWaalsContact O-CB 3.3Å; K297-Y301 WeakPolarHBondContact O-CB 3.44Å; K297-Y301 PolarHBondContact O-N 3.25Å; I299-Y301 VanDerWaalsContact C-N 3.34Å; I299-Y301 PolarHBondContact O-N 2.92Å; Y301-Y303 VanDerWaalsContact C-N 3.33Å; Y301-K304 PolarHBondContact O-N 3.03Å; Y301-K305 HydrophobicContact CD1-CG 4.4Å; Y301-K305 HydrophobicContact CE1-CG 3.93Å; Y301-K305 HydrophobicContact CE2-CG 4.39Å; Y301-K305 PolarHBondContact O-N 3.32Å; Y301-K305 WeakPolarHBondContact OH-CE 3.31Å
302	A	47.7	Very low	49.9	Very low	31 Å²	31	79.5 Å²	79.5	26%	0.256	42%	0.416	S	S	.	.	H	α-helix	trans	-60.8	-44.1	174.9	0	0	0	0	0	110.7	I291 D298 I299 K304 K305 I306	I291-A302 HydrophobicContact CG2-CB 4.3Å; D298-A302 VanDerWaalsContact O-CB 3.24Å; D298-A302 WeakPolarHBondContact O-CB 3.33Å; D298-A302 PolarHBondContact O-N 3.16Å; I299-A302 PolarHBondContact O-N 3.43Å; A302-K304 PolarHBondContact O-N 3.35Å; A302-K305 CarbonylContact O-C 3.58Å; A302-K305 PolarHBondContact O-N 3.12Å; A302-K305 VanDerWaalsContact O-N 3.16Å; A302-I306 WeakPolarHBondContact O-CB 3.25Å; A302-I306 VanDerWaalsContact O-CG1 3.31Å; A302-I306 WeakPolarHBondContact O-CG1 3.36Å; A302-I306 PolarHBondContact O-N 3.13Å
303	Y	53.5	Low	50.3	Low	80 Å²	80	75 Å²	75	31%	0.314	40%	0.395	S	S	.	.	H	α-helix	trans	-61.3	-42.8	174.6	-87	-65.5	0	0	0	112.9	H226 I291 I299 D300 Y301 K305 I306 A307	H226-Y303 HydrophobicContact CB-CE1 4.29Å; H226-Y303 WeakPolarHBondContact CB-OH 3.45Å; H226-Y303 PolarHBondContact CD2-OH 2.92Å; H226-Y303 PolarHBondContact ND1-OH 2.84Å; I291-Y303 HydrophobicContact CD1-CD1 4.42Å; I291-Y303 HydrophobicContact CD1-CD2 3.84Å; I291-Y303 HydrophobicContact CD1-CE1 3.78Å; I291-Y303 HydrophobicContact CD1-CE2 3.11Å; I291-Y303 HydrophobicContact CD1-CG 4.45Å; I291-Y303 WeakPolarHBondContact CD1-OH 3.5Å; I299-Y303 HydrophobicContact CG2-CD2 3.67Å; I299-Y303 HydrophobicContact CG2-CE2 3.57Å; I299-Y303 VanDerWaalsContact O-CD2 3.27Å; I299-Y303 WeakPolarHBondContact O-CD2 3.47Å; I299-Y303 PolarHBondContact O-N 2.81Å; D300-Y303 PolarHBondContact O-N 3.45Å; Y301-Y303 VanDerWaalsContact C-N 3.33Å; Y303-K305 VanDerWaalsContact C-N 3.28Å; Y303-K305 PolarHBondContact O-N 3.43Å; Y303-I306 WeakPolarHBondContact O-CB 2.97Å; Y303-I306 PolarHBondContact O-N 3.39Å; Y303-A307 WeakPolarHBondContact O-CB 3.47Å; Y303-A307 PolarHBondContact O-N 2.84Å
304	K	57.9	Low	51.1	Low	133 Å²	133	77.2 Å²	77.2	58%	0.578	40%	0.399	S	S	*	.	H	α-helix	trans	-59.6	-40.1	173.4	-91	178.5	-179.5	122.1	0	112.3	D300 Y301 A302 S308	D300-K304 PolarHBondContact O-N 3.15Å; D300-K304 IonicContact OD2-NZ 2.96Å; D300-K304 PolarHBondContact OD2-NZ 3.5Å; Y301-K304 PolarHBondContact O-N 3.03Å; A302-K304 PolarHBondContact O-N 3.35Å; K304-S308 WeakPolarHBondContact O-CB 3.39Å; K304-S308 PolarHBondContact O-N 2.8Å
305	K	55.6	Low	52.3	Low	103 Å²	103	75 Å²	75	45%	0.448	38%	0.383	S	S	.	.	H	α-helix	trans	-71.1	-37.6	176.7	-72.5	-60.9	-174.3	-174.7	0	112.4	Y301 A302 Y303 S308 C309	Y301-K305 HydrophobicContact CD1-CG 4.4Å; Y301-K305 HydrophobicContact CE1-CG 3.93Å; Y301-K305 HydrophobicContact CE2-CG 4.39Å; Y301-K305 PolarHBondContact O-N 3.32Å; Y301-K305 WeakPolarHBondContact OH-CE 3.31Å; A302-K305 CarbonylContact O-C 3.58Å; A302-K305 PolarHBondContact O-N 3.12Å; A302-K305 VanDerWaalsContact O-N 3.16Å; Y303-K305 VanDerWaalsContact C-N 3.28Å; Y303-K305 PolarHBondContact O-N 3.43Å; K305-S308 PolarHBondContact O-N 2.67Å; K305-C309 WeakPolarHBondContact O-CB 3.14Å; K305-C309 PolarHBondContact O-N 2.89Å
306	I	52.8	Low	52.9	Low	19 Å²	19	75.1 Å²	75.1	10%	0.097	38%	0.378	C	S	.	.	H	α-helix	trans	-61.1	-48	171.9	-79.3	167.4	0	0	0	110.6	F288 A302 Y303 S308 C309 A310	F288-I306 HydrophobicContact CB-CD1 4.39Å; F288-I306 HydrophobicContact CD1-CB 4.37Å; F288-I306 HydrophobicContact CD1-CD1 3.76Å; F288-I306 HydrophobicContact CD1-CG1 3.75Å; F288-I306 HydrophobicContact CD1-CG2 3.79Å; F288-I306 HydrophobicContact CD2-CG2 3.51Å; F288-I306 HydrophobicContact CE1-CB 4.13Å; F288-I306 HydrophobicContact CE1-CD1 4.3Å; F288-I306 HydrophobicContact CE1-CG1 3.76Å; F288-I306 HydrophobicContact CE1-CG2 3.57Å; F288-I306 HydrophobicContact CE2-CG2 3.29Å; F288-I306 HydrophobicContact CG-CD1 4.08Å; F288-I306 HydrophobicContact CG-CG1 4.37Å; F288-I306 HydrophobicContact CG-CG2 3.77Å; F288-I306 HydrophobicContact CZ-CB 4.27Å; F288-I306 HydrophobicContact CZ-CG1 4.4Å; F288-I306 HydrophobicContact CZ-CG2 3.34Å; A302-I306 WeakPolarHBondContact O-CB 3.25Å; A302-I306 VanDerWaalsContact O-CG1 3.31Å; A302-I306 WeakPolarHBondContact O-CG1 3.36Å; A302-I306 PolarHBondContact O-N 3.13Å; Y303-I306 WeakPolarHBondContact O-CB 2.97Å; Y303-I306 PolarHBondContact O-N 3.39Å; I306-S308 VanDerWaalsContact C-N 3.35Å; I306-S308 PolarHBondContact O-N 2.87Å; I306-C309 CarbonylContact O-C 3.54Å; I306-C309 VanDerWaalsContact O-CB 3.29Å; I306-C309 WeakPolarHBondContact O-CB 3.33Å; I306-C309 PolarHBondContact O-N 3.42Å; I306-C309 VanDerWaalsContact O-N 3.16Å; I306-A310 WeakPolarHBondContact O-CB 3.47Å; I306-A310 PolarHBondContact O-N 3.02Å
307	A	49.1	Very low	53.2	Low	51 Å²	51	68.6 Å²	68.6	42%	0.421	35%	0.346	S	S	.	.	H	α-helix	trans	-62.5	-42.4	176.5	0	0	0	0	0	111.1	Y303 C309 A310 T311	Y303-A307 WeakPolarHBondContact O-CB 3.47Å; Y303-A307 PolarHBondContact O-N 2.84Å; A307-C309 VanDerWaalsContact C-N 3.33Å; A307-C309 PolarHBondContact O-N 3.18Å; A307-A310 VanDerWaalsContact O-CB 3.32Å; A307-A310 WeakPolarHBondContact O-CB 3.14Å; A307-A310 PolarHBondContact O-N 3.46Å; A307-T311 PolarHBondContact O-N 2.74Å; A307-T311 PolarHBondContact O-OG1 3.27Å
308	S	52.9	Low	53.5	Low	64 Å²	64	64.2 Å²	64.2	45%	0.448	33%	0.331	S	S	.	.	H	α-helix	trans	-61.5	-40	172.8	-178.9	0	0	0	0	112.3	K304 K305 I306 T311 E312	K304-S308 WeakPolarHBondContact O-CB 3.39Å; K304-S308 PolarHBondContact O-N 2.8Å; K305-S308 PolarHBondContact O-N 2.67Å; I306-S308 VanDerWaalsContact C-N 3.35Å; I306-S308 PolarHBondContact O-N 2.87Å; S308-T311 PolarHBondContact O-N 3.29Å; S308-E312 WeakPolarHBondContact O-CB 3.4Å; S308-E312 PolarHBondContact O-N 2.79Å
309	C	51.6	Low	54.4	Low	12 Å²	12	68 Å²	68	8%	0.081	35%	0.346	C	S	.	.	H	α-helix	trans	-63	-42.3	172.6	-99	0	0	0	0	111.4	N183 K305 I306 A307 T311 E312 I313	N183-C309 PolarHBondContact ND2-SG 2.68Å; N183-C309 PolarHBondContact OD1-SG 3.09Å; K305-C309 WeakPolarHBondContact O-CB 3.14Å; K305-C309 PolarHBondContact O-N 2.89Å; I306-C309 CarbonylContact O-C 3.54Å; I306-C309 VanDerWaalsContact O-CB 3.29Å; I306-C309 WeakPolarHBondContact O-CB 3.33Å; I306-C309 PolarHBondContact O-N 3.42Å; I306-C309 VanDerWaalsContact O-N 3.16Å; A307-C309 VanDerWaalsContact C-N 3.33Å; A307-C309 PolarHBondContact O-N 3.18Å; C309-T311 VanDerWaalsContact C-N 3.32Å; C309-T311 PolarHBondContact O-N 2.73Å; C309-E312 PolarHBondContact O-N 3.23Å; C309-I313 VanDerWaalsContact O-CB 3.31Å; C309-I313 WeakPolarHBondContact O-CB 3.49Å; C309-I313 VanDerWaalsContact O-CG1 3.23Å; C309-I313 WeakPolarHBondContact O-CG1 3.23Å; C309-I313 PolarHBondContact O-N 3.38Å
310	A	52.7	Low	54.7	Low	8 Å²	8	72.5 Å²	72.5	7%	0.066	37%	0.37	C	S	.	.	H	α-helix	trans	-59.5	-44.6	175.4	0	0	0	0	0	111.1	L286 I306 A307 I313 L314	L286-A310 VanDerWaalsContact CD1-CA 3.48Å; L286-A310 HydrophobicContact CD1-CB 3.22Å; I306-A310 WeakPolarHBondContact O-CB 3.47Å; I306-A310 PolarHBondContact O-N 3.02Å; A307-A310 VanDerWaalsContact O-CB 3.32Å; A307-A310 WeakPolarHBondContact O-CB 3.14Å; A307-A310 PolarHBondContact O-N 3.46Å; A310-I313 PolarHBondContact O-N 3.15Å; A310-L314 WeakPolarHBondContact O-CB 3.34Å; A310-L314 VanDerWaalsContact O-CG 3.23Å; A310-L314 WeakPolarHBondContact O-CG 3.42Å; A310-L314 PolarHBondContact O-N 2.78Å
311	T	55.5	Low	54.5	Low	75 Å²	75	72.8 Å²	72.8	46%	0.46	37%	0.371	S	S	.	.	H	α-helix	trans	-61.5	-48.2	174.5	-43.8	0	0	0	0	111.1	A307 S308 C309 I313 L314 D315	A307-T311 PolarHBondContact O-N 2.74Å; A307-T311 PolarHBondContact O-OG1 3.27Å; S308-T311 PolarHBondContact O-N 3.29Å; C309-T311 VanDerWaalsContact C-N 3.32Å; C309-T311 PolarHBondContact O-N 2.73Å; T311-I313 VanDerWaalsContact C-N 3.29Å; T311-I313 PolarHBondContact O-N 3.37Å; T311-L314 CarbonylContact O-C 3.57Å; T311-L314 PolarHBondContact O-N 3.03Å; T311-L314 VanDerWaalsContact O-N 3.11Å; T311-D315 WeakPolarHBondContact O-CB 3.24Å; T311-D315 PolarHBondContact O-N 2.79Å
312	E	59.1	Low	53.9	Low	100 Å²	100	75.1 Å²	75.1	47%	0.467	39%	0.394	S	S	.	.	H	α-helix	trans	-62.7	-36.4	-180	-156.7	176.4	-145.7	0	0	112.1	N183 S308 C309 Q316	N183-E312 PolarHBondContact ND2-OE2 3.02Å; S308-E312 WeakPolarHBondContact O-CB 3.4Å; S308-E312 PolarHBondContact O-N 2.79Å; C309-E312 PolarHBondContact O-N 3.23Å; E312-Q316 WeakPolarHBondContact O-CG 3.48Å; E312-Q316 PolarHBondContact O-N 3.5Å
313	I	55.1	Low	54.2	Low	4 Å²	4	77.3 Å²	77.3	2%	0.021	40%	0.401	C	S	.	.	H	α-helix	trans	-66.1	-45.3	172.9	-75.8	168.5	0	0	0	111.1	F186 F200 L286 C309 A310 T311 F317	F186-I313 HydrophobicContact CB-CD1 4.2Å; F186-I313 HydrophobicContact CD1-CG1 4.26Å; F186-I313 HydrophobicContact CD1-CG2 3.77Å; F186-I313 HydrophobicContact CD2-CD1 4.29Å; F186-I313 HydrophobicContact CD2-CG2 3.92Å; F186-I313 HydrophobicContact CE1-CG2 3.47Å; F186-I313 VanDerWaalsContact CE1-CG2 3.47Å; F186-I313 HydrophobicContact CE2-CG2 3.58Å; F186-I313 HydrophobicContact CG-CD1 4.13Å; F186-I313 HydrophobicContact CG-CG1 4.23Å; F186-I313 HydrophobicContact CG-CG2 4Å; F186-I313 HydrophobicContact CZ-CG2 3.35Å; F200-I313 HydrophobicContact CE2-CD1 4.44Å; F200-I313 HydrophobicContact CZ-CD1 3.85Å; L286-I313 HydrophobicContact CD2-CG2 4.41Å; C309-I313 VanDerWaalsContact O-CB 3.31Å; C309-I313 WeakPolarHBondContact O-CB 3.49Å; C309-I313 VanDerWaalsContact O-CG1 3.23Å; C309-I313 WeakPolarHBondContact O-CG1 3.23Å; C309-I313 PolarHBondContact O-N 3.38Å; A310-I313 PolarHBondContact O-N 3.15Å; T311-I313 VanDerWaalsContact C-N 3.29Å; T311-I313 PolarHBondContact O-N 3.37Å; I313-F317 WeakPolarHBondContact O-CB 3.32Å; I313-F317 PolarHBondContact O-N 3.4Å
314	L	55.8	Low	54.2	Low	74 Å²	74	77.2 Å²	77.2	39%	0.387	41%	0.405	S	S	.	.	H	α-helix	trans	-66.9	-36.8	178.2	-74.5	166.2	0	0	0	111.7	A310 T311 F317 N318	A310-L314 WeakPolarHBondContact O-CB 3.34Å; A310-L314 VanDerWaalsContact O-CG 3.23Å; A310-L314 WeakPolarHBondContact O-CG 3.42Å; A310-L314 PolarHBondContact O-N 2.78Å; T311-L314 CarbonylContact O-C 3.57Å; T311-L314 PolarHBondContact O-N 3.03Å; T311-L314 VanDerWaalsContact O-N 3.11Å; L314-F317 VanDerWaalsContact O-CB 3.27Å; L314-F317 WeakPolarHBondContact O-CB 3.44Å; L314-F317 PolarHBondContact O-N 3.39Å; L314-N318 VanDerWaalsContact O-CG 3.31Å; L314-N318 PolarHBondContact O-N 2.82Å; L314-N318 PolarHBondContact O-ND2 3.33Å
315	D	61.1	Low	54	Low	86 Å²	86	74.1 Å²	74.1	46%	0.46	40%	0.396	S	S	.	.	H	α-helix	trans	-65.8	-47.8	176.3	-69.7	-21.2	0	0	0	110.4	T311 F317 N318 E319	T311-D315 WeakPolarHBondContact O-CB 3.24Å; T311-D315 PolarHBondContact O-N 2.79Å; D315-F317 PolarHBondContact O-N 3.42Å; D315-N318 PolarHBondContact O-N 3.32Å; D315-N318 VanDerWaalsContact O-N 3.12Å; D315-E319 PolarHBondContact O-N 2.98Å
316	Q	57.3	Low	53.9	Low	72 Å²	72	72.4 Å²	72.4	34%	0.336	39%	0.393	S	S	.	.	H	α-helix	trans	-60.7	-33.3	172.6	-75.1	-174.9	-4.3	0	0	112.4	I187 E312 E319 L320	I187-Q316 VanDerWaalsContact CD1-OE1 3.29Å; E312-Q316 WeakPolarHBondContact O-CG 3.48Å; E312-Q316 PolarHBondContact O-N 3.5Å; Q316-E319 PolarHBondContact O-N 2.93Å; Q316-L320 WeakPolarHBondContact O-CB 3.28Å; Q316-L320 WeakPolarHBondContact O-CG 3.18Å; Q316-L320 PolarHBondContact O-N 3.17Å
317	F	53.1	Low	54	Low	12 Å²	12	75.7 Å²	75.7	5%	0.053	41%	0.411	C	S	.	.	H	α-helix	trans	-64	-43.1	175.1	-167.8	-90.6	0	0	0	112	T282 V284 I313 L314 D315 L320 N321	T282-F317 VanDerWaalsContact CB-CZ 3.49Å; T282-F317 HydrophobicContact CG2-CE1 4.39Å; T282-F317 HydrophobicContact CG2-CE2 4.39Å; T282-F317 HydrophobicContact CG2-CZ 3.58Å; T282-F317 WeakPolarHBondContact O-CE1 3.42Å; T282-F317 WeakPolarHBondContact O-CZ 3.47Å; V284-F317 HydrophobicContact CG2-CD2 3.84Å; V284-F317 HydrophobicContact CG2-CE2 3.48Å; V284-F317 VanDerWaalsContact CG2-CE2 3.48Å; V284-F317 HydrophobicContact CG2-CZ 3.93Å; I313-F317 WeakPolarHBondContact O-CB 3.32Å; I313-F317 PolarHBondContact O-N 3.4Å; L314-F317 VanDerWaalsContact O-CB 3.27Å; L314-F317 WeakPolarHBondContact O-CB 3.44Å; L314-F317 PolarHBondContact O-N 3.39Å; D315-F317 PolarHBondContact O-N 3.42Å; F317-L320 PolarHBondContact O-N 2.99Å; F317-N321 WeakPolarHBondContact CD1-ND2 3.26Å; F317-N321 WeakPolarHBondContact CE1-ND2 3.1Å; F317-N321 WeakPolarHBondContact CZ-ND2 3.22Å; F317-N321 PolarHBondContact O-N 3.34Å; F317-N321 PolarHBondContact O-ND2 3.21Å
318	N	55.3	Low	54.3	Low	81 Å²	81	77.3 Å²	77.3	43%	0.433	41%	0.41	S	S	.	.	H	α-helix	trans	-70.6	-33.1	177.6	-68.3	-30.4	0	0	0	111.9	L314 D315 N322	L314-N318 VanDerWaalsContact O-CG 3.31Å; L314-N318 PolarHBondContact O-N 2.82Å; L314-N318 PolarHBondContact O-ND2 3.33Å; D315-N318 PolarHBondContact O-N 3.32Å; D315-N318 VanDerWaalsContact O-N 3.12Å; N318-N322 PolarHBondContact O-N 3.31Å; N318-N322 PolarHBondContact O-ND2 2.77Å
319	E	62.4	Low	54.4	Low	148 Å²	148	78.3 Å²	78.3	69%	0.692	41%	0.408	S	S	*	.	H	α-helix	trans	-68.8	-36	174.1	-74.7	-177.2	170.6	0	0	113	D315 Q316 N321	D315-E319 PolarHBondContact O-N 2.98Å; Q316-E319 PolarHBondContact O-N 2.93Å; E319-N321 VanDerWaalsContact C-N 3.29Å; E319-N321 PolarHBondContact O-N 3.06Å
320	L	51.7	Low	54.6	Low	139 Å²	139	83.4 Å²	83.4	73%	0.728	43%	0.433	S	S	*	.	H	α-helix	trans	-74.7	-16.3	180	-80.4	163.2	0	0	0	114	Q316 F317	Q316-L320 WeakPolarHBondContact O-CB 3.28Å; Q316-L320 WeakPolarHBondContact O-CG 3.18Å; Q316-L320 PolarHBondContact O-N 3.17Å; F317-L320 PolarHBondContact O-N 2.99Å
321	N	48	Very low	54.8	Low	90 Å²	90	89.7 Å²	89.7	48%	0.481	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	0.3	-177.8	-66.7	-54	0	0	0	113.9	F317 E319	F317-N321 WeakPolarHBondContact CD1-ND2 3.26Å; F317-N321 WeakPolarHBondContact CE1-ND2 3.1Å; F317-N321 WeakPolarHBondContact CZ-ND2 3.22Å; F317-N321 PolarHBondContact O-N 3.34Å; F317-N321 PolarHBondContact O-ND2 3.21Å; E319-N321 VanDerWaalsContact C-N 3.29Å; E319-N321 PolarHBondContact O-N 3.06Å
322	N	43	Very low	54.7	Low	195 Å²	195	91 Å²	91	100%	1.043	46%	0.464	S	S	*	.			trans	-105.8	0	170.1	-74.5	-46.8	0	0	0	110.3	N318	N318-N322 PolarHBondContact O-N 3.31Å; N318-N322 PolarHBondContact O-ND2 2.77Å

Retrieved 322 of 322 residues in 121.4 ms (Link to these results)

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