A0A3Q0KP46_SCHMA Loading...

Matrix metallopeptidase-7 (M10 family)

AlphaFold DB , UniProt , Accession A0A3Q0KP46, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 619 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	66.9	Low	77.3	Confident	199 Å²	199	145.4 Å²	145.4	98%	0.98	65%	0.647	S	S	*	*				0	-59.9	0	-145.6	-177.4	-77	0	0	113.1	R3 F4 I5	M1-R3 PolarHBondContact O-N 3.36Å; M1-F4 WeakPolarHBondContact O-CB 3.43Å; M1-F4 PolarHBondContact O-N 3.13Å; M1-I5 PolarHBondContact O-N 3.21Å
2	L	75.1	Confident	77.1	Confident	138 Å²	138	147.1 Å²	147.1	72%	0.723	65%	0.647	S	S	*	*	H	α-helix	trans	-54.5	-39.1	-178.5	-96.1	105.5	0	0	0	115.9	F4 I5 K6	L2-F4 VanDerWaalsContact C-N 3.29Å; L2-F4 PolarHBondContact O-N 3.05Å; L2-I5 PolarHBondContact O-N 2.97Å; L2-K6 PolarHBondContact O-N 2.97Å
3	R	76.6	Confident	77.1	Confident	232 Å²	232	142.9 Å²	142.9	88%	0.875	64%	0.635	S	S	*	*	H	α-helix	trans	-63.7	-33.2	177.1	-72.7	-175	-177.5	176.9	0.9	112.8	M1 K7	M1-R3 PolarHBondContact O-N 3.36Å; R3-K7 PolarHBondContact O-N 3.27Å
4	F	79.2	Confident	77	Confident	146 Å²	146	144.8 Å²	144.8	64%	0.64	64%	0.637	S	S	*	*	H	α-helix	trans	-72.8	-41.7	178.8	-161.9	-95.7	0	0	0	111.1	M1 L2 K7 Q8	M1-F4 WeakPolarHBondContact O-CB 3.43Å; M1-F4 PolarHBondContact O-N 3.13Å; L2-F4 VanDerWaalsContact C-N 3.29Å; L2-F4 PolarHBondContact O-N 3.05Å; F4-K7 PolarHBondContact O-N 3.37Å; F4-Q8 HydrophobicContact CD1-CG 4.32Å; F4-Q8 HydrophobicContact CE1-CG 4.18Å; F4-Q8 PolarHBondContact O-N 3.41Å
5	I	80.5	Confident	76.9	Confident	95 Å²	95	140.7 Å²	140.7	49%	0.487	62%	0.623	S	S	.	*	H	α-helix	trans	-61.6	-45	175.2	-62.1	171.1	0	0	0	110.8	M1 L2 K7 Q8 F9	M1-I5 PolarHBondContact O-N 3.21Å; L2-I5 PolarHBondContact O-N 2.97Å; I5-K7 VanDerWaalsContact C-N 3.32Å; I5-K7 PolarHBondContact O-N 3.42Å; I5-Q8 PolarHBondContact O-N 3.34Å; I5-F9 PolarHBondContact O-N 3.38Å
6	K	78.1	Confident	76.7	Confident	151 Å²	151	135.2 Å²	135.2	66%	0.657	61%	0.607	S	S	*	*	H	α-helix	trans	-61.1	-37.3	176	-83.1	-172.6	175.6	-177.9	0	113.1	L2 R10	L2-K6 PolarHBondContact O-N 2.97Å; K6-R10 PolarHBondContact O-N 3.23Å; K6-R10 VanDerWaalsContact O-N 3.12Å
7	K	80.9	Confident	76.7	Confident	144 Å²	144	136.3 Å²	136.3	63%	0.626	61%	0.607	S	S	*	*	H	α-helix	trans	-68.2	-44.1	178.1	-168.5	178.6	179.8	-177.7	0	111.3	R3 F4 I5 R10 I11	R3-K7 PolarHBondContact O-N 3.27Å; F4-K7 PolarHBondContact O-N 3.37Å; I5-K7 VanDerWaalsContact C-N 3.32Å; I5-K7 PolarHBondContact O-N 3.42Å; K7-R10 PolarHBondContact O-N 2.89Å; K7-I11 HydrophobicContact CG-CD1 4.21Å; K7-I11 WeakPolarHBondContact O-CG1 3.47Å; K7-I11 PolarHBondContact O-N 3.41Å; K7-I11 VanDerWaalsContact O-N 3.07Å
8	Q	77.3	Confident	76.6	Confident	82 Å²	82	135.5 Å²	135.5	38%	0.383	61%	0.609	S	S	.	*	H	α-helix	trans	-61.7	-43.7	175.5	-75	-68.9	-8.1	0	0	111.8	F4 I5 R10 I11 Y12	F4-Q8 HydrophobicContact CD1-CG 4.32Å; F4-Q8 HydrophobicContact CE1-CG 4.18Å; F4-Q8 PolarHBondContact O-N 3.41Å; I5-Q8 PolarHBondContact O-N 3.34Å; Q8-R10 VanDerWaalsContact C-N 3.34Å; Q8-R10 PolarHBondContact O-N 3.02Å; Q8-I11 PolarHBondContact O-N 3.41Å; Q8-Y12 PolarHBondContact O-N 3.4Å
9	F	78.7	Confident	76.5	Confident	148 Å²	148	136.6 Å²	136.6	65%	0.649	61%	0.609	S	S	*	*	H	α-helix	trans	-60.5	-41.7	176.4	-119.4	-86.2	0	0	0	112.5	I5 Y12 L13	I5-F9 PolarHBondContact O-N 3.38Å; F9-Y12 PolarHBondContact O-N 3.28Å; F9-L13 WeakPolarHBondContact O-CB 3.44Å; F9-L13 PolarHBondContact O-N 3.05Å
10	R	77.3	Confident	76.5	Confident	190 Å²	190	135.2 Å²	135.2	72%	0.717	61%	0.607	S	S	*	*	H	α-helix	trans	-63	-43.4	175.4	-80.6	-174.9	172.5	-176.8	-2.8	112	K6 K7 Q8 L13 Y14	K6-R10 PolarHBondContact O-N 3.23Å; K6-R10 VanDerWaalsContact O-N 3.12Å; K7-R10 PolarHBondContact O-N 2.89Å; Q8-R10 VanDerWaalsContact C-N 3.34Å; Q8-R10 PolarHBondContact O-N 3.02Å; R10-L13 PolarHBondContact O-N 3.49Å; R10-Y14 WeakPolarHBondContact O-CD2 3.35Å; R10-Y14 PolarHBondContact O-N 3.27Å
11	I	79.5	Confident	76.3	Confident	74 Å²	74	130 Å²	130	38%	0.379	59%	0.591	S	S	.	*	H	α-helix	trans	-63.3	-46.4	178.9	-67.5	165.7	0	0	0	110.6	K7 Q8 L13 Y14 I15	K7-I11 HydrophobicContact CG-CD1 4.21Å; K7-I11 WeakPolarHBondContact O-CG1 3.47Å; K7-I11 PolarHBondContact O-N 3.41Å; K7-I11 VanDerWaalsContact O-N 3.07Å; Q8-I11 PolarHBondContact O-N 3.41Å; I11-L13 VanDerWaalsContact C-N 3.32Å; I11-L13 PolarHBondContact O-N 3.5Å; I11-Y14 PolarHBondContact O-N 3.06Å; I11-I15 HydrophobicContact CG2-CD1 3.76Å; I11-I15 HydrophobicContact CG2-CG1 4.42Å; I11-I15 WeakPolarHBondContact O-CG1 3.4Å; I11-I15 PolarHBondContact O-N 3.38Å
12	Y	75.5	Confident	76.7	Confident	166 Å²	166	123.7 Å²	123.7	65%	0.651	56%	0.564	S	S	*	*	H	α-helix	trans	-60.3	-41.1	176	-97.1	-84.1	0	0	0	112.5	Q8 F9 I15 S16	Q8-Y12 PolarHBondContact O-N 3.4Å; F9-Y12 PolarHBondContact O-N 3.28Å; Y12-I15 PolarHBondContact O-N 3.29Å; Y12-S16 WeakPolarHBondContact O-CB 3.46Å; Y12-S16 PolarHBondContact O-N 3.17Å
13	L	77	Confident	76.8	Confident	93 Å²	93	121.2 Å²	121.2	49%	0.487	55%	0.551	S	S	.	*	H	α-helix	trans	-60.4	-48.4	176.2	-148	90.6	0	0	0	110.7	F9 R10 I11 I15 S16 Y17	F9-L13 WeakPolarHBondContact O-CB 3.44Å; F9-L13 PolarHBondContact O-N 3.05Å; R10-L13 PolarHBondContact O-N 3.49Å; I11-L13 VanDerWaalsContact C-N 3.32Å; I11-L13 PolarHBondContact O-N 3.5Å; L13-I15 PolarHBondContact O-N 3.19Å; L13-S16 PolarHBondContact O-N 3.45Å; L13-S16 PolarHBondContact O-OG 2.82Å; L13-Y17 HydrophobicContact CD2-CD2 4.27Å; L13-Y17 HydrophobicContact CD2-CE2 3.7Å; L13-Y17 HydrophobicContact CG-CD2 4.1Å; L13-Y17 HydrophobicContact CG-CE2 3.78Å; L13-Y17 WeakPolarHBondContact O-CD2 3.33Å; L13-Y17 PolarHBondContact O-N 2.97Å
14	Y	75	Confident	76.8	Confident	169 Å²	169	118.3 Å²	118.3	66%	0.663	54%	0.54	S	S	*	.	H	α-helix	trans	-61.3	-41.7	178.1	-93.3	-77.3	0	0	0	113	R10 I11 S16 Y17 L18	R10-Y14 WeakPolarHBondContact O-CD2 3.35Å; R10-Y14 PolarHBondContact O-N 3.27Å; I11-Y14 PolarHBondContact O-N 3.06Å; Y14-S16 VanDerWaalsContact C-N 3.34Å; Y14-Y17 PolarHBondContact O-N 2.81Å; Y14-L18 PolarHBondContact O-N 3.27Å
15	I	76.5	Confident	76.6	Confident	84 Å²	84	116 Å²	116	43%	0.431	53%	0.533	S	S	.	.	H	α-helix	trans	-65.1	-40	176.1	-66.1	169.2	0	0	0	110.6	I11 Y12 L13 Y17 L18 Y19	I11-I15 HydrophobicContact CG2-CD1 3.76Å; I11-I15 HydrophobicContact CG2-CG1 4.42Å; I11-I15 WeakPolarHBondContact O-CG1 3.4Å; I11-I15 PolarHBondContact O-N 3.38Å; Y12-I15 PolarHBondContact O-N 3.29Å; L13-I15 PolarHBondContact O-N 3.19Å; I15-Y17 PolarHBondContact O-N 3.31Å; I15-L18 PolarHBondContact O-N 3.49Å; I15-Y19 HydrophobicContact CG2-CD2 4.21Å; I15-Y19 PolarHBondContact O-N 3.23Å
16	S	73.3	Confident	76.2	Confident	52 Å²	52	118.9 Å²	118.9	36%	0.364	54%	0.542	S	S	.	.	H	α-helix	trans	-64.7	-39	176.3	83.7	0	0	0	0	112.2	Y12 L13 Y14 Y19 L20	Y12-S16 WeakPolarHBondContact O-CB 3.46Å; Y12-S16 PolarHBondContact O-N 3.17Å; L13-S16 PolarHBondContact O-N 3.45Å; L13-S16 PolarHBondContact O-OG 2.82Å; Y14-S16 VanDerWaalsContact C-N 3.34Å; S16-Y19 PolarHBondContact O-N 3.31Å; S16-L20 WeakPolarHBondContact O-CB 3.28Å; S16-L20 WeakPolarHBondContact O-CG 3.49Å; S16-L20 PolarHBondContact O-N 3.26Å
17	Y	76.2	Confident	75.9	Confident	154 Å²	154	115.4 Å²	115.4	60%	0.604	53%	0.53	S	S	*	.	H	α-helix	trans	-67.3	-37.5	175.9	-85.1	-69.7	0	0	0	112.1	L13 Y14 I15 L20 G21	L13-Y17 HydrophobicContact CD2-CD2 4.27Å; L13-Y17 HydrophobicContact CD2-CE2 3.7Å; L13-Y17 HydrophobicContact CG-CD2 4.1Å; L13-Y17 HydrophobicContact CG-CE2 3.78Å; L13-Y17 WeakPolarHBondContact O-CD2 3.33Å; L13-Y17 PolarHBondContact O-N 2.97Å; Y14-Y17 PolarHBondContact O-N 2.81Å; I15-Y17 PolarHBondContact O-N 3.31Å; Y17-L20 PolarHBondContact O-N 2.88Å; Y17-G21 PolarHBondContact O-N 2.79Å
18	L	75.2	Confident	75.2	Confident	122 Å²	122	111 Å²	111	64%	0.639	51%	0.513	S	S	*	.	H	α-helix	trans	-63.8	-42.9	173.2	-81.9	162.8	0	0	0	111.8	Y14 I15 G21 T22	Y14-L18 PolarHBondContact O-N 3.27Å; I15-L18 PolarHBondContact O-N 3.49Å; L18-G21 PolarHBondContact O-N 2.94Å; L18-T22 WeakPolarHBondContact O-CG2 3.3Å; L18-T22 PolarHBondContact O-N 3.4Å; L18-T22 PolarHBondContact O-OG1 2.94Å
19	Y	75.3	Confident	74.5	Confident	157 Å²	157	110.8 Å²	110.8	62%	0.616	52%	0.517	S	S	*	.	H	α-helix	trans	-65.8	-41.4	176.1	-104.3	-87.2	0	0	0	112.8	I15 S16 G21 T22 I23	I15-Y19 HydrophobicContact CG2-CD2 4.21Å; I15-Y19 PolarHBondContact O-N 3.23Å; S16-Y19 PolarHBondContact O-N 3.31Å; Y19-G21 VanDerWaalsContact C-N 3.33Å; Y19-T22 PolarHBondContact O-N 3.1Å; Y19-T22 PolarHBondContact O-OG1 2.88Å; Y19-I23 WeakPolarHBondContact O-CB 3.18Å; Y19-I23 WeakPolarHBondContact O-CD1 3.37Å; Y19-I23 VanDerWaalsContact O-CG1 3.25Å; Y19-I23 WeakPolarHBondContact O-CG1 3.33Å; Y19-I23 PolarHBondContact O-N 2.67Å
20	L	76.1	Confident	73.6	Confident	107 Å²	107	111.9 Å²	111.9	56%	0.56	52%	0.517	S	S	*	.	H	α-helix	trans	-66.6	-37.2	175.4	-72.8	168.5	0	0	0	111.4	S16 Y17 W24	S16-L20 WeakPolarHBondContact O-CB 3.28Å; S16-L20 WeakPolarHBondContact O-CG 3.49Å; S16-L20 PolarHBondContact O-N 3.26Å; Y17-L20 PolarHBondContact O-N 2.88Å; L20-W24 VanDerWaalsContact O-CB 3.32Å; L20-W24 WeakPolarHBondContact O-CB 3.37Å; L20-W24 PolarHBondContact O-N 3.4Å
21	G	72	Confident	72.3	Confident	28 Å²	28	106.6 Å²	106.6	29%	0.289	50%	0.503	S	S	.	.	H	α-helix	trans	-63.6	-44	175.1	0	0	0	0	0	112.8	Y17 L18 Y19 W24 I25	Y17-G21 PolarHBondContact O-N 2.79Å; L18-G21 PolarHBondContact O-N 2.94Å; Y19-G21 VanDerWaalsContact C-N 3.33Å; G21-W24 PolarHBondContact O-N 3.05Å; G21-I25 VanDerWaalsContact O-CG1 3.28Å; G21-I25 WeakPolarHBondContact O-CG1 3.5Å; G21-I25 PolarHBondContact O-N 3.07Å
22	T	75.9	Confident	70.5	Confident	66 Å²	66	109.7 Å²	109.7	41%	0.405	51%	0.513	S	S	.	.	H	α-helix	trans	-67.7	-42.5	176.8	55.4	0	0	0	0	111.7	L18 Y19 W24 I25 F26	L18-T22 WeakPolarHBondContact O-CG2 3.3Å; L18-T22 PolarHBondContact O-N 3.4Å; L18-T22 PolarHBondContact O-OG1 2.94Å; Y19-T22 PolarHBondContact O-N 3.1Å; Y19-T22 PolarHBondContact O-OG1 2.88Å; T22-W24 VanDerWaalsContact C-N 3.3Å; T22-W24 PolarHBondContact O-N 3.24Å; T22-I25 PolarHBondContact O-N 3.06Å; T22-F26 VanDerWaalsContact O-CD2 3.23Å; T22-F26 WeakPolarHBondContact O-CD2 3.46Å; T22-F26 PolarHBondContact O-N 3.28Å
23	I	77.3	Confident	69	Low	86 Å²	86	105.4 Å²	105.4	44%	0.441	51%	0.505	S	S	.	.	H	α-helix	trans	-59.8	-42.5	174.4	-68.7	166.9	0	0	0	110.6	Y19 F26 I27	Y19-I23 WeakPolarHBondContact O-CB 3.18Å; Y19-I23 WeakPolarHBondContact O-CD1 3.37Å; Y19-I23 VanDerWaalsContact O-CG1 3.25Å; Y19-I23 WeakPolarHBondContact O-CG1 3.33Å; Y19-I23 PolarHBondContact O-N 2.67Å; I23-F26 PolarHBondContact O-N 3.49Å; I23-I27 HydrophobicContact CG2-CD1 3.62Å; I23-I27 HydrophobicContact CG2-CG1 4.29Å; I23-I27 WeakPolarHBondContact O-CB 3.42Å; I23-I27 VanDerWaalsContact O-CG1 3.23Å; I23-I27 WeakPolarHBondContact O-CG1 3.32Å; I23-I27 PolarHBondContact O-N 3.21Å
24	W	75.9	Confident	67.3	Low	171 Å²	171	105.1 Å²	105.1	65%	0.648	50%	0.504	S	S	*	.	H	α-helix	trans	-65.1	-39.7	176.8	-172.8	77.2	0	0	0	112.4	L20 G21 T22 I27 N28	L20-W24 VanDerWaalsContact O-CB 3.32Å; L20-W24 WeakPolarHBondContact O-CB 3.37Å; L20-W24 PolarHBondContact O-N 3.4Å; G21-W24 PolarHBondContact O-N 3.05Å; T22-W24 VanDerWaalsContact C-N 3.3Å; T22-W24 PolarHBondContact O-N 3.24Å; W24-I27 PolarHBondContact O-N 3.48Å; W24-N28 VanDerWaalsContact CD2-ND2 3.33Å; W24-N28 PolarHBondContact NE1-ND2 2.97Å; W24-N28 VanDerWaalsContact NE1-ND2 3.16Å; W24-N28 WeakPolarHBondContact O-CB 3.39Å; W24-N28 PolarHBondContact O-N 2.96Å; W24-N28 PolarHBondContact O-ND2 3.25Å
25	I	75.1	Confident	65.3	Low	97 Å²	97	101.9 Å²	101.9	50%	0.497	50%	0.498	S	S	.	.	H	α-helix	trans	-64.6	-45.6	173.6	-67.5	164.6	0	0	0	110.5	G21 T22 I27 N28 V29	G21-I25 VanDerWaalsContact O-CG1 3.28Å; G21-I25 WeakPolarHBondContact O-CG1 3.5Å; G21-I25 PolarHBondContact O-N 3.07Å; T22-I25 PolarHBondContact O-N 3.06Å; I25-I27 PolarHBondContact O-N 3.01Å; I25-N28 PolarHBondContact O-N 3.33Å; I25-V29 HydrophobicContact CG2-CG2 4.03Å; I25-V29 VanDerWaalsContact O-CB 3.28Å; I25-V29 WeakPolarHBondContact O-CB 3.41Å; I25-V29 WeakPolarHBondContact O-CG2 3.44Å; I25-V29 PolarHBondContact O-N 3.07Å
26	F	72.4	Confident	63.2	Low	155 Å²	155	103.5 Å²	103.5	68%	0.68	51%	0.507	S	S	*	.	H	α-helix	trans	-63.3	-40.9	177.8	-87.5	-74.3	0	0	0	112.1	T22 I23 W30	T22-F26 VanDerWaalsContact O-CD2 3.23Å; T22-F26 WeakPolarHBondContact O-CD2 3.46Å; T22-F26 PolarHBondContact O-N 3.28Å; I23-F26 PolarHBondContact O-N 3.49Å; F26-W30 WeakPolarHBondContact O-CB 3.18Å; F26-W30 PolarHBondContact O-N 3.36Å
27	I	72.5	Confident	61.4	Low	78 Å²	78	105.1 Å²	105.1	40%	0.4	51%	0.514	S	S	.	.	H	α-helix	trans	-65.1	-45.9	175.3	-69.5	168.6	0	0	0	110.3	I23 W24 I25 W30 I31	I23-I27 HydrophobicContact CG2-CD1 3.62Å; I23-I27 HydrophobicContact CG2-CG1 4.29Å; I23-I27 WeakPolarHBondContact O-CB 3.42Å; I23-I27 VanDerWaalsContact O-CG1 3.23Å; I23-I27 WeakPolarHBondContact O-CG1 3.32Å; I23-I27 PolarHBondContact O-N 3.21Å; W24-I27 PolarHBondContact O-N 3.48Å; I25-I27 PolarHBondContact O-N 3.01Å; I27-W30 PolarHBondContact O-N 3.47Å; I27-I31 HydrophobicContact CG2-CD1 3.54Å; I27-I31 HydrophobicContact CG2-CG1 4.26Å; I27-I31 VanDerWaalsContact O-CB 3.3Å; I27-I31 WeakPolarHBondContact O-CB 3.44Å; I27-I31 WeakPolarHBondContact O-CG1 3.28Å; I27-I31 PolarHBondContact O-N 3.22Å
28	N	64.8	Low	59.4	Low	51 Å²	51	103 Å²	103	27%	0.273	51%	0.506	S	S	.	.	H	α-helix	trans	-68.7	-38.8	179.7	-81.2	-82.5	0	0	0	112.4	W24 I25 I31 F32	W24-N28 VanDerWaalsContact CD2-ND2 3.33Å; W24-N28 PolarHBondContact NE1-ND2 2.97Å; W24-N28 VanDerWaalsContact NE1-ND2 3.16Å; W24-N28 WeakPolarHBondContact O-CB 3.39Å; W24-N28 PolarHBondContact O-N 2.96Å; W24-N28 PolarHBondContact O-ND2 3.25Å; I25-N28 PolarHBondContact O-N 3.33Å; N28-I31 PolarHBondContact O-N 3.25Å; N28-F32 VanDerWaalsContact O-CB 3.26Å; N28-F32 WeakPolarHBondContact O-CB 3.48Å; N28-F32 PolarHBondContact O-N 3.18Å
29	V	64	Low	57.3	Low	78 Å²	78	101.9 Å²	101.9	47%	0.473	51%	0.509	S	S	.	.	H	α-helix	trans	-66.9	-40.9	174.1	172.4	0	0	0	0	110.2	I25 F32 T33	I25-V29 HydrophobicContact CG2-CG2 4.03Å; I25-V29 VanDerWaalsContact O-CB 3.28Å; I25-V29 WeakPolarHBondContact O-CB 3.41Å; I25-V29 WeakPolarHBondContact O-CG2 3.44Å; I25-V29 PolarHBondContact O-N 3.07Å; V29-F32 PolarHBondContact O-N 3.13Å; V29-T33 HydrophobicContact CG1-CG2 4.1Å; V29-T33 WeakPolarHBondContact O-CB 3.48Å; V29-T33 VanDerWaalsContact O-CG2 3.29Å; V29-T33 WeakPolarHBondContact O-CG2 3.25Å; V29-T33 PolarHBondContact O-N 3.49Å; V29-T33 PolarHBondContact O-OG1 3.07Å
30	W	58.1	Low	55.3	Low	172 Å²	172	98.9 Å²	98.9	65%	0.652	50%	0.502	S	S	*	.	H	α-helix	trans	-67.9	-37	176.4	-173	49.6	0	0	0	112.5	F26 I27 T33 N34	F26-W30 WeakPolarHBondContact O-CB 3.18Å; F26-W30 PolarHBondContact O-N 3.36Å; I27-W30 PolarHBondContact O-N 3.47Å; W30-T33 PolarHBondContact O-OG1 3.32Å; W30-N34 PolarHBondContact NE1-ND2 2.8Å; W30-N34 VanDerWaalsContact O-CB 3.32Å; W30-N34 WeakPolarHBondContact O-CB 3.49Å; W30-N34 VanDerWaalsContact O-CG 3.32Å; W30-N34 PolarHBondContact O-N 3.12Å; W30-N34 VanDerWaalsContact O-N 3.1Å; W30-N34 PolarHBondContact O-ND2 3.25Å
31	I	51.6	Low	53.1	Low	79 Å²	79	98.9 Å²	98.9	41%	0.405	51%	0.509	S	S	.	.	H	α-helix	trans	-66.7	-44	170.8	-69.7	168.9	0	0	0	109.8	I27 N28 N35	I27-I31 HydrophobicContact CG2-CD1 3.54Å; I27-I31 HydrophobicContact CG2-CG1 4.26Å; I27-I31 VanDerWaalsContact O-CB 3.3Å; I27-I31 WeakPolarHBondContact O-CB 3.44Å; I27-I31 WeakPolarHBondContact O-CG1 3.28Å; I27-I31 PolarHBondContact O-N 3.22Å; N28-I31 PolarHBondContact O-N 3.25Å; I31-N35 VanDerWaalsContact CG2-ND2 3.28Å; I31-N35 WeakPolarHBondContact CG2-ND2 3.33Å; I31-N35 WeakPolarHBondContact O-CB 3.46Å; I31-N35 PolarHBondContact O-N 2.97Å; I31-N35 PolarHBondContact O-ND2 2.94Å; I31-N35 VanDerWaalsContact O-ND2 3.12Å
32	F	41.3	Very low	51.6	Low	138 Å²	138	104.6 Å²	104.6	61%	0.605	52%	0.522	S	S	*	.	H	α-helix	trans	-67.2	-41.8	179.1	-106.3	-91.6	0	0	0	112.5	N28 V29 N35 L36	N28-F32 VanDerWaalsContact O-CB 3.26Å; N28-F32 WeakPolarHBondContact O-CB 3.48Å; N28-F32 PolarHBondContact O-N 3.18Å; V29-F32 PolarHBondContact O-N 3.13Å; F32-N35 PolarHBondContact O-N 3.1Å; F32-L36 HydrophobicContact CD1-CD1 4.22Å; F32-L36 WeakPolarHBondContact O-CB 3.43Å; F32-L36 WeakPolarHBondContact O-CD1 3.23Å; F32-L36 WeakPolarHBondContact O-CG 3.16Å; F32-L36 PolarHBondContact O-N 3.08Å
33	T	42.9	Very low	49.7	Very low	76 Å²	76	106.9 Å²	106.9	47%	0.466	53%	0.532	S	S	.	.	H	α-helix	trans	-72.6	-35.1	-179.6	54.8	0	0	0	0	112.3	V29 W30	V29-T33 HydrophobicContact CG1-CG2 4.1Å; V29-T33 WeakPolarHBondContact O-CB 3.48Å; V29-T33 VanDerWaalsContact O-CG2 3.29Å; V29-T33 WeakPolarHBondContact O-CG2 3.25Å; V29-T33 PolarHBondContact O-N 3.49Å; V29-T33 PolarHBondContact O-OG1 3.07Å; W30-T33 PolarHBondContact O-OG1 3.32Å
34	N	41.8	Very low	48.4	Very low	87 Å²	87	109.7 Å²	109.7	47%	0.465	54%	0.542	S	S	.	.	H	α-helix	trans	-73.2	-32.3	171.9	-71.7	-45.3	0	0	0	112.5	W30	W30-N34 PolarHBondContact NE1-ND2 2.8Å; W30-N34 VanDerWaalsContact O-CB 3.32Å; W30-N34 WeakPolarHBondContact O-CB 3.49Å; W30-N34 VanDerWaalsContact O-CG 3.32Å; W30-N34 PolarHBondContact O-N 3.12Å; W30-N34 VanDerWaalsContact O-N 3.1Å; W30-N34 PolarHBondContact O-ND2 3.25Å
35	N	33.7	Very low	47.1	Very low	102 Å²	102	101.6 Å²	101.6	55%	0.545	51%	0.511	S	S	.	.	H	α-helix	trans	-82.1	-20.1	176.5	-73.1	-30.4	0	0	0	113.6	I31 F32 V37 Y38	I31-N35 VanDerWaalsContact CG2-ND2 3.28Å; I31-N35 WeakPolarHBondContact CG2-ND2 3.33Å; I31-N35 WeakPolarHBondContact O-CB 3.46Å; I31-N35 PolarHBondContact O-N 2.97Å; I31-N35 PolarHBondContact O-ND2 2.94Å; I31-N35 VanDerWaalsContact O-ND2 3.12Å; F32-N35 PolarHBondContact O-N 3.1Å; N35-V37 PolarHBondContact O-N 2.87Å; N35-Y38 PolarHBondContact O-N 3.37Å
36	L	32.6	Very low	46.3	Very low	118 Å²	118	101.6 Å²	101.6	62%	0.618	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-12.1	177.6	-102	151.7	0	0	0	113.8	F32 Y38	F32-L36 HydrophobicContact CD1-CD1 4.22Å; F32-L36 WeakPolarHBondContact O-CB 3.43Å; F32-L36 WeakPolarHBondContact O-CD1 3.23Å; F32-L36 WeakPolarHBondContact O-CG 3.16Å; F32-L36 PolarHBondContact O-N 3.08Å; L36-Y38 PolarHBondContact O-N 3.02Å
37	V	35.8	Very low	46.1	Very low	86 Å²	86	100.9 Å²	100.9	52%	0.521	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-11.6	168.1	-177.3	0	0	0	0	111.4	N35	N35-V37 PolarHBondContact O-N 2.87Å
38	Y	33.4	Very low	46.5	Very low	109 Å²	109	97.8 Å²	97.8	43%	0.427	50%	0.499	S	S	.	.			trans	-130.9	72.5	-173.1	-66	-77	0	0	0	113.2	N35 L36	N35-Y38 PolarHBondContact O-N 3.37Å; L36-Y38 PolarHBondContact O-N 3.02Å
39	S	30.4	Very low	47.2	Very low	99 Å²	99	100.7 Å²	100.7	69%	0.692	51%	0.511	S	S	*	.			trans	-133.4	68.1	146.6	55.2	0	0	0	0	109.1	P41	S39-P41 WeakPolarHBondContact O-CD 3.36Å
40	I	34.3	Very low	48	Very low	94 Å²	94	98.7 Å²	98.7	48%	0.482	50%	0.498	S	S	.	.			trans	-69.9	105.7	163.4	-58.6	173.3	0	0	0	105.9	Y42	I40-Y42 VanDerWaalsContact C-N 3.31Å; I40-Y42 PolarHBondContact O-N 3.25Å; I40-Y42 VanDerWaalsContact O-N 3.09Å
41	P	30	Very low	48.8	Very low	107 Å²	107	93.6 Å²	93.6	70%	0.695	48%	0.483	S	S	*	.			trans	-89.2	76.9	-178.9	30.9	-16.4	0	0	0	107.2	S39	S39-P41 WeakPolarHBondContact O-CD 3.36Å
42	Y	40.1	Very low	50.2	Low	147 Å²	147	93.9 Å²	93.9	58%	0.576	48%	0.483	S	S	*	.			trans	-152.7	107.9	165.4	-110.2	-83.7	0	0	0	109.2	I40 F44	I40-Y42 VanDerWaalsContact C-N 3.31Å; I40-Y42 PolarHBondContact O-N 3.25Å; I40-Y42 VanDerWaalsContact O-N 3.09Å; Y42-F44 VanDerWaalsContact C-N 3.28Å; Y42-F44 AromaticContact CD1-CD2 3.75Å; Y42-F44 HydrophobicContact CD1-CD2 3.75Å; Y42-F44 AromaticContact CD1-CE2 3.51Å; Y42-F44 HydrophobicContact CD1-CE2 3.51Å; Y42-F44 AromaticContact CE1-CE2 3.97Å; Y42-F44 HydrophobicContact CE1-CE2 3.97Å; Y42-F44 HydrophobicContact CG-CD2 4.42Å; Y42-F44 HydrophobicContact CG-CE2 4.43Å; Y42-F44 PolarHBondContact O-N 3.26Å
43	N	36.4	Very low	52.3	Low	115 Å²	115	87.3 Å²	87.3	62%	0.615	45%	0.454	S	S	*	.			trans	-77	69.5	177	-81.1	-41.5	0	0	0	110.7	K130	N43-K130 WeakPolarHBondContact OD1-CE 3.49Å; N43-K130 PolarHBondContact OD1-NZ 3.02Å
44	F	48.9	Very low	54.2	Low	145 Å²	145	83.7 Å²	83.7	64%	0.636	43%	0.432	S	S	*	.			trans	-85	-25.4	168.6	-91.8	-80.7	0	0	0	112.5	Y42 D46 I137	Y42-F44 VanDerWaalsContact C-N 3.28Å; Y42-F44 AromaticContact CD1-CD2 3.75Å; Y42-F44 HydrophobicContact CD1-CD2 3.75Å; Y42-F44 AromaticContact CD1-CE2 3.51Å; Y42-F44 HydrophobicContact CD1-CE2 3.51Å; Y42-F44 AromaticContact CE1-CE2 3.97Å; Y42-F44 HydrophobicContact CE1-CE2 3.97Å; Y42-F44 HydrophobicContact CG-CD2 4.42Å; Y42-F44 HydrophobicContact CG-CE2 4.43Å; Y42-F44 PolarHBondContact O-N 3.26Å; F44-D46 VanDerWaalsContact C-N 3.31Å; F44-D46 PolarHBondContact O-N 3.45Å; F44-I137 HydrophobicContact CB-CD1 3.53Å; F44-I137 HydrophobicContact CB-CG1 4.44Å
45	G	49	Very low	56	Low	0 Å²	0	82.8 Å²	82.8	0%	0	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-68.2	-18.1	-166.6	0	0	0	0	0	116.4	N47 L48 K133 N134	G45-N47 PolarHBondContact O-N 3.1Å; G45-N47 VanDerWaalsContact O-N 3.14Å; G45-L48 PolarHBondContact O-N 3.17Å; G45-K133 WeakPolarHBondContact O-CD 3.45Å; G45-N134 VanDerWaalsContact CA-OD1 3.28Å; G45-N134 WeakPolarHBondContact CA-OD1 3.48Å; G45-N134 PolarHBondContact N-OD1 2.88Å
46	D	58.6	Low	58.6	Low	97 Å²	97	78.8 Å²	78.8	52%	0.519	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-64.5	-26	-173.3	-67.4	-26.7	0	0	0	112.1	F44 K130	F44-D46 VanDerWaalsContact C-N 3.31Å; F44-D46 PolarHBondContact O-N 3.45Å; D46-K130 IonicContact OD1-NZ 3.1Å; D46-K130 IonicContact OD2-NZ 2.87Å
47	N	68.7	Low	61.2	Low	140 Å²	140	73.2 Å²	73.2	75%	0.749	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-96.4	-6.8	-177.3	-72.3	-16.1	0	0	0	116.1	G45 Q49	G45-N47 PolarHBondContact O-N 3.1Å; G45-N47 VanDerWaalsContact O-N 3.14Å; N47-Q49 PolarHBondContact O-N 2.84Å; N47-Q49 VanDerWaalsContact O-N 3.07Å
48	L	79.8	Confident	63.5	Low	14 Å²	14	71.5 Å²	71.5	7%	0.073	36%	0.361	C	S	.	.			trans	-62.6	117.3	-177.9	-179.1	71.6	0	0	0	110.5	G45 E52 A53 L56 L128 K133 L136 I137	G45-L48 PolarHBondContact O-N 3.17Å; L48-E52 HydrophobicContact CD1-CB 3.49Å; L48-E52 VanDerWaalsContact CD1-CB 3.49Å; L48-A53 HydrophobicContact CD2-CB 4.05Å; L48-A53 HydrophobicContact CG-CB 4.31Å; L48-L56 HydrophobicContact CD1-CD1 4.17Å; L48-L128 HydrophobicContact CD2-CD1 4.23Å; L48-L128 HydrophobicContact CD2-CD2 4.32Å; L48-K133 HydrophobicContact CB-CD 4.17Å; L48-K133 HydrophobicContact CB-CG 4.36Å; L48-K133 HydrophobicContact CD2-CB 4.28Å; L48-K133 HydrophobicContact CD2-CG 4.16Å; L48-K133 PolarHBondContact O-NZ 2.82Å; L48-L136 HydrophobicContact CD2-CB 4.47Å; L48-L136 HydrophobicContact CD2-CD2 4.03Å; L48-I137 HydrophobicContact CB-CG2 4.43Å; L48-I137 HydrophobicContact CD1-CG2 3.68Å; L48-I137 HydrophobicContact CD2-CG2 3.8Å; L48-I137 HydrophobicContact CG-CG2 4.17Å
49	Q	79.9	Confident	65.7	Low	112 Å²	112	68.9 Å²	68.9	52%	0.523	35%	0.35	S	S	.	.			trans	-84.8	162.2	179.9	-60.6	-172.1	7.4	0	0	111.4	N47 N51 E52 A53	N47-Q49 PolarHBondContact O-N 2.84Å; N47-Q49 VanDerWaalsContact O-N 3.07Å; Q49-N51 WeakPolarHBondContact CB-OD1 3.38Å; Q49-N51 PolarHBondContact OE1-OD1 2.89Å; Q49-E52 HydrophobicContact CB-CG 4.33Å; Q49-E52 PolarHBondContact N-OE2 3.09Å; Q49-E52 PolarHBondContact O-N 3.35Å; Q49-A53 WeakPolarHBondContact O-CB 3.47Å; Q49-A53 PolarHBondContact O-N 2.91Å
50	I	80.2	Confident	68.4	Low	36 Å²	36	64.2 Å²	64.2	19%	0.185	32%	0.317	C	S	.	.	H	α-helix	trans	-65	-42.1	-177.1	-67	173.9	0	0	0	111.4	E52 A53 V54 L102 F109	I50-E52 PolarHBondContact O-N 3.49Å; I50-A53 PolarHBondContact O-N 3.2Å; I50-V54 HydrophobicContact CG2-CG2 4.27Å; I50-V54 WeakPolarHBondContact O-CB 3.25Å; I50-V54 WeakPolarHBondContact O-CG2 2.93Å; I50-V54 PolarHBondContact O-N 3.42Å; I50-L102 HydrophobicContact CB-CD2 3.98Å; I50-L102 HydrophobicContact CD1-CB 4.43Å; I50-L102 HydrophobicContact CD1-CD2 4.44Å; I50-L102 VanDerWaalsContact CD1-O 3.3Å; I50-L102 WeakPolarHBondContact CD1-O 3.3Å; I50-L102 HydrophobicContact CG2-CD2 4.21Å; I50-F109 HydrophobicContact CG2-CE1 4.32Å; I50-F109 HydrophobicContact CG2-CE2 4.22Å; I50-F109 HydrophobicContact CG2-CZ 4Å
51	N	74.8	Confident	70.8	Confident	65 Å²	65	60.4 Å²	60.4	35%	0.348	30%	0.302	S	S	.	.	H	α-helix	trans	-59.2	-42.5	175.9	58	-25.3	0	0	0	112.4	Q49 V54 N55	Q49-N51 WeakPolarHBondContact CB-OD1 3.38Å; Q49-N51 PolarHBondContact OE1-OD1 2.89Å; N51-V54 WeakPolarHBondContact O-CB 3.32Å; N51-V54 PolarHBondContact O-N 2.91Å; N51-N55 PolarHBondContact O-N 3.05Å; N51-N55 VanDerWaalsContact O-N 3.16Å; N51-N55 PolarHBondContact O-ND2 3.47Å
52	E	80.6	Confident	73.5	Confident	84 Å²	84	55.6 Å²	55.6	39%	0.393	27%	0.269	S	S	.	.	H	α-helix	trans	-64.8	-45.6	175.1	-64.2	168.5	159.8	0	0	110.9	L48 Q49 I50 V54 N55 L56	L48-E52 HydrophobicContact CD1-CB 3.49Å; L48-E52 VanDerWaalsContact CD1-CB 3.49Å; Q49-E52 HydrophobicContact CB-CG 4.33Å; Q49-E52 PolarHBondContact N-OE2 3.09Å; Q49-E52 PolarHBondContact O-N 3.35Å; I50-E52 PolarHBondContact O-N 3.49Å; E52-V54 VanDerWaalsContact C-N 3.31Å; E52-V54 PolarHBondContact O-N 3.29Å; E52-N55 WeakPolarHBondContact O-CB 3.45Å; E52-N55 PolarHBondContact O-N 2.96Å; E52-L56 WeakPolarHBondContact O-CG 3.07Å; E52-L56 PolarHBondContact O-N 3.34Å
53	A	86.4	Confident	75.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-37.6	177.1	0	0	0	0	0	112.7	L48 Q49 I50 L56 L57 F109 L128 L136	L48-A53 HydrophobicContact CD2-CB 4.05Å; L48-A53 HydrophobicContact CG-CB 4.31Å; Q49-A53 WeakPolarHBondContact O-CB 3.47Å; Q49-A53 PolarHBondContact O-N 2.91Å; I50-A53 PolarHBondContact O-N 3.2Å; A53-L56 PolarHBondContact O-N 3.36Å; A53-L57 WeakPolarHBondContact O-CB 3.36Å; A53-L57 WeakPolarHBondContact O-CG 3.48Å; A53-L57 PolarHBondContact O-N 3.39Å; A53-F109 HydrophobicContact CB-CE2 4.04Å; A53-F109 HydrophobicContact CB-CZ 4.1Å; A53-L128 HydrophobicContact CB-CD1 3.95Å; A53-L128 HydrophobicContact CB-CD2 3.79Å; A53-L136 HydrophobicContact CB-CD2 3.89Å
54	V	83.6	Confident	77.2	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-58.6	-48.6	173.5	160.2	0	0	0	0	110.5	I50 N51 E52 L56 L57 Y58 M63 F94 Y96 F109	I50-V54 HydrophobicContact CG2-CG2 4.27Å; I50-V54 WeakPolarHBondContact O-CB 3.25Å; I50-V54 WeakPolarHBondContact O-CG2 2.93Å; I50-V54 PolarHBondContact O-N 3.42Å; N51-V54 WeakPolarHBondContact O-CB 3.32Å; N51-V54 PolarHBondContact O-N 2.91Å; E52-V54 VanDerWaalsContact C-N 3.31Å; E52-V54 PolarHBondContact O-N 3.29Å; V54-L56 VanDerWaalsContact C-N 3.33Å; V54-L56 PolarHBondContact O-N 3.49Å; V54-L57 PolarHBondContact O-N 2.9Å; V54-Y58 WeakPolarHBondContact O-CB 3.5Å; V54-Y58 PolarHBondContact O-N 3Å; V54-M63 HydrophobicContact CB-CE 4.21Å; V54-M63 HydrophobicContact CG1-CE 3.36Å; V54-M63 HydrophobicContact CG1-SD 4.39Å; V54-F94 HydrophobicContact CG1-CD1 3.93Å; V54-F94 HydrophobicContact CG1-CE1 4.45Å; V54-Y96 HydrophobicContact CB-CE2 4.02Å; V54-Y96 HydrophobicContact CG1-CD2 4.31Å; V54-Y96 HydrophobicContact CG1-CE2 3.55Å; V54-Y96 HydrophobicContact CG2-CD2 4.36Å; V54-Y96 HydrophobicContact CG2-CE2 3.42Å; V54-Y96 VanDerWaalsContact CG2-CE2 3.42Å; V54-Y96 WeakPolarHBondContact CG2-OH 3.35Å; V54-F109 HydrophobicContact CG2-CD2 3.52Å; V54-F109 HydrophobicContact CG2-CE2 3.64Å
55	N	79.8	Confident	77.7	Confident	67 Å²	67	42 Å²	42	36%	0.358	21%	0.213	S	C	.	.	H	α-helix	trans	-61.4	-42.6	179.9	-70.3	-23.2	0	0	0	111.4	N51 E52 Y58 R59 F94	N51-N55 PolarHBondContact O-N 3.05Å; N51-N55 VanDerWaalsContact O-N 3.16Å; N51-N55 PolarHBondContact O-ND2 3.47Å; E52-N55 WeakPolarHBondContact O-CB 3.45Å; E52-N55 PolarHBondContact O-N 2.96Å; N55-Y58 PolarHBondContact O-N 3.33Å; N55-R59 VanDerWaalsContact O-CB 3.27Å; N55-R59 WeakPolarHBondContact O-CB 3.5Å; N55-R59 PolarHBondContact O-N 3.24Å; N55-F94 WeakPolarHBondContact OD1-CD2 3.24Å; N55-F94 VanDerWaalsContact OD1-CG 3.25Å; N55-F94 WeakPolarHBondContact OD1-CG 3.48Å
56	L	86.8	Confident	77.8	Confident	18 Å²	18	47 Å²	47	9%	0.094	23%	0.233	C	C	.	.	H	α-helix	trans	-66.6	-44.7	177	-66	172.8	0	0	0	112.2	L48 E52 A53 V54 Y58 R59 Y60 L136 I137	L48-L56 HydrophobicContact CD1-CD1 4.17Å; E52-L56 WeakPolarHBondContact O-CG 3.07Å; E52-L56 PolarHBondContact O-N 3.34Å; A53-L56 PolarHBondContact O-N 3.36Å; V54-L56 VanDerWaalsContact C-N 3.33Å; V54-L56 PolarHBondContact O-N 3.49Å; L56-Y58 VanDerWaalsContact C-N 3.31Å; L56-Y58 PolarHBondContact O-N 3.5Å; L56-R59 PolarHBondContact O-N 3.41Å; L56-Y60 HydrophobicContact CB-CD2 4.37Å; L56-Y60 HydrophobicContact CB-CE2 4Å; L56-Y60 HydrophobicContact CD2-CE2 4.12Å; L56-Y60 WeakPolarHBondContact O-CD2 3.48Å; L56-Y60 PolarHBondContact O-N 3.1Å; L56-L136 HydrophobicContact CB-CD1 3.96Å; L56-L136 HydrophobicContact CB-CD2 4.18Å; L56-L136 HydrophobicContact CB-CG 3.89Å; L56-L136 HydrophobicContact CD1-CD2 4.32Å; L56-L136 HydrophobicContact CD1-CG 3.87Å; L56-I137 HydrophobicContact CD1-CG2 3.96Å
57	L	88.4	Confident	77.2	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-36.7	177.7	-73.4	167.9	0	0	0	112.4	A53 V54 G61 Y62 M63 F109 A112 I113 F116 L136	A53-L57 WeakPolarHBondContact O-CB 3.36Å; A53-L57 WeakPolarHBondContact O-CG 3.48Å; A53-L57 PolarHBondContact O-N 3.39Å; V54-L57 PolarHBondContact O-N 2.9Å; L57-G61 PolarHBondContact O-N 2.84Å; L57-Y62 HydrophobicContact CD2-CD2 4.32Å; L57-Y62 HydrophobicContact CD2-CG 4.31Å; L57-Y62 WeakPolarHBondContact O-CA 3.45Å; L57-Y62 PolarHBondContact O-N 3.43Å; L57-M63 HydrophobicContact CB-CB 4.19Å; L57-M63 PolarHBondContact O-N 3.41Å; L57-F109 HydrophobicContact CD1-CD2 3.89Å; L57-F109 HydrophobicContact CD1-CE2 3.66Å; L57-F109 HydrophobicContact CD1-CZ 4.5Å; L57-A112 HydrophobicContact CB-CB 4.45Å; L57-A112 HydrophobicContact CD1-CB 4.07Å; L57-A112 HydrophobicContact CD2-CB 4.42Å; L57-I113 HydrophobicContact CD1-CG1 3.89Å; L57-F116 HydrophobicContact CD2-CB 4.05Å; L57-F116 HydrophobicContact CD2-CG 4.42Å; L57-L136 HydrophobicContact CD2-CD1 4.23Å; L57-L136 HydrophobicContact CG-CD1 4.48Å; L57-L136 HydrophobicContact CG-CD2 4.3Å
58	Y	82.8	Confident	75.7	Confident	51 Å²	51	44.7 Å²	44.7	20%	0.2	22%	0.216	C	C	.	.	H	α-helix	trans	-65.3	-50.9	171.9	173	-100.5	0	0	0	111.1	V54 N55 L56 Y60 G61 M63 D65 F94	V54-Y58 WeakPolarHBondContact O-CB 3.5Å; V54-Y58 PolarHBondContact O-N 3Å; N55-Y58 PolarHBondContact O-N 3.33Å; L56-Y58 VanDerWaalsContact C-N 3.31Å; L56-Y58 PolarHBondContact O-N 3.5Å; Y58-Y60 VanDerWaalsContact C-N 3.31Å; Y58-Y60 PolarHBondContact O-N 3.21Å; Y58-G61 PolarHBondContact O-N 2.94Å; Y58-M63 WeakPolarHBondContact CD2-O 3.41Å; Y58-D65 HydrophobicContact CD2-CB 4.41Å; Y58-D65 HydrophobicContact CE2-CB 3.54Å; Y58-F94 HydrophobicContact CD1-CE1 4.47Å; Y58-F94 AromaticContact CD1-CE2 3.99Å; Y58-F94 HydrophobicContact CD1-CE2 3.99Å; Y58-F94 AromaticContact CD1-CZ 3.44Å; Y58-F94 HydrophobicContact CD1-CZ 3.44Å; Y58-F94 VanDerWaalsContact CD1-CZ 3.44Å; Y58-F94 HydrophobicContact CD2-CE1 4.36Å; Y58-F94 AromaticContact CD2-CZ 3.95Å; Y58-F94 HydrophobicContact CD2-CZ 3.95Å; Y58-F94 HydrophobicContact CE1-CE2 4.34Å; Y58-F94 AromaticContact CE1-CZ 3.88Å; Y58-F94 HydrophobicContact CE1-CZ 3.88Å; Y58-F94 HydrophobicContact CE2-CZ 4.36Å; Y58-F94 HydrophobicContact CG-CE1 4.09Å; Y58-F94 HydrophobicContact CG-CE2 4.41Å; Y58-F94 AromaticContact CG-CZ 3.47Å; Y58-F94 HydrophobicContact CG-CZ 3.47Å; Y58-F94 VanDerWaalsContact CG-CZ 3.47Å
59	R	80.2	Confident	73.5	Confident	54 Å²	54	48.1 Å²	48.1	20%	0.204	24%	0.238	C	C	.	.	H	α-helix	trans	-55	-45.8	179.6	179.1	174.5	-69.7	-171.2	-11	111.9	N55 L56 G61 P275	N55-R59 VanDerWaalsContact O-CB 3.27Å; N55-R59 WeakPolarHBondContact O-CB 3.5Å; N55-R59 PolarHBondContact O-N 3.24Å; L56-R59 PolarHBondContact O-N 3.41Å; R59-G61 PolarHBondContact O-N 2.89Å; R59-P275 VanDerWaalsContact CZ-O 3.26Å; R59-P275 PolarHBondContact NH1-O 2.65Å; R59-P275 PolarHBondContact NH2-O 2.83Å
60	Y	87.6	Confident	71.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	2	-179.5	-54.4	-39	0	0	0	114.2	L56 Y58 L136 R140 D145 V282	L56-Y60 HydrophobicContact CB-CD2 4.37Å; L56-Y60 HydrophobicContact CB-CE2 4Å; L56-Y60 HydrophobicContact CD2-CE2 4.12Å; L56-Y60 WeakPolarHBondContact O-CD2 3.48Å; L56-Y60 PolarHBondContact O-N 3.1Å; Y58-Y60 VanDerWaalsContact C-N 3.31Å; Y58-Y60 PolarHBondContact O-N 3.21Å; Y60-L136 HydrophobicContact CD2-CD1 3.91Å; Y60-L136 HydrophobicContact CE2-CD1 4Å; Y60-R140 HydrophobicContact CE1-CG 4.19Å; Y60-R140 WeakPolarHBondContact OH-CD 3.43Å; Y60-R140 WeakPolarHBondContact OH-CG 3.25Å; Y60-D145 PolarHBondContact O-N 3.25Å; Y60-V282 HydrophobicContact CE1-CG2 4.3Å
61	G	85.2	Confident	68.9	Low	15 Å²	15	51.9 Å²	51.9	16%	0.155	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	16.8	172.5	0	0	0	0	0	115.8	L57 Y58 R59	L57-G61 PolarHBondContact O-N 2.84Å; Y58-G61 PolarHBondContact O-N 2.94Å; R59-G61 PolarHBondContact O-N 2.89Å
62	Y	86.6	Confident	66.6	Low	5 Å²	5	55.5 Å²	55.5	2%	0.02	28%	0.277	C	S	.	.	S	Bend	trans	-87.7	-22.6	177.1	-64.2	-79.9	0	0	0	113.4	L57 A112 K115 F116 Q119 Y120 D145	L57-Y62 HydrophobicContact CD2-CD2 4.32Å; L57-Y62 HydrophobicContact CD2-CG 4.31Å; L57-Y62 WeakPolarHBondContact O-CA 3.45Å; L57-Y62 PolarHBondContact O-N 3.43Å; Y62-A112 WeakPolarHBondContact O-CB 3.21Å; Y62-K115 HydrophobicContact CD1-CB 3.7Å; Y62-K115 HydrophobicContact CE1-CB 4.38Å; Y62-K115 PolarHBondContact O-NZ 2.91Å; Y62-F116 HydrophobicContact CD1-CB 4.03Å; Y62-F116 HydrophobicContact CD2-CB 4.36Å; Y62-F116 AromaticContact CD2-CD2 3.99Å; Y62-F116 HydrophobicContact CD2-CD2 3.99Å; Y62-F116 VanDerWaalsContact CE1-CA 3.5Å; Y62-F116 HydrophobicContact CE1-CB 4.09Å; Y62-F116 HydrophobicContact CE1-CD2 4.43Å; Y62-F116 HydrophobicContact CE2-CB 4.45Å; Y62-F116 AromaticContact CE2-CD2 3.56Å; Y62-F116 HydrophobicContact CE2-CD2 3.56Å; Y62-F116 HydrophobicContact CE2-CE2 4.36Å; Y62-F116 HydrophobicContact CE2-CG 4.49Å; Y62-F116 HydrophobicContact CG-CB 4.16Å; Y62-F116 AromaticContact CZ-CD2 3.8Å; Y62-Q119 HydrophobicContact CE1-CB 4.11Å; Y62-Q119 VanDerWaalsContact OH-CG 3.31Å; Y62-Q119 WeakPolarHBondContact OH-CG 3.36Å; Y62-Y120 WeakPolarHBondContact OH-CE2 3.05Å; Y62-D145 HydrophobicContact CE2-CB 4.2Å; Y62-D145 VanDerWaalsContact CE2-OD2 3.31Å; Y62-D145 WeakPolarHBondContact CE2-OD2 3.39Å; Y62-D145 WeakPolarHBondContact OH-CB 3.32Å; Y62-D145 PolarHBondContact OH-OD2 2.76Å
63	M	81	Confident	64	Low	16 Å²	16	58.5 Å²	58.5	8%	0.079	30%	0.296	C	S	.	.	S	Bend	trans	-126.7	143.6	-178.8	-157.7	179.7	71.6	0	0	110.9	V54 L57 Y58 F94 A112	V54-M63 HydrophobicContact CB-CE 4.21Å; V54-M63 HydrophobicContact CG1-CE 3.36Å; V54-M63 HydrophobicContact CG1-SD 4.39Å; L57-M63 HydrophobicContact CB-CB 4.19Å; L57-M63 PolarHBondContact O-N 3.41Å; Y58-M63 WeakPolarHBondContact CD2-O 3.41Å; M63-F94 HydrophobicContact CE-CE1 4.38Å; M63-A112 HydrophobicContact CB-CB 3.95Å; M63-A112 HydrophobicContact CG-CB 4.23Å
64	D	73.1	Confident	61.1	Low	91 Å²	91	66.1 Å²	66.1	49%	0.487	33%	0.332	S	S	.	.			trans	-85.2	160.9	176.5	-64.1	-39.3	0	0	0	111	Y66	D64-Y66 PolarHBondContact O-N 3.37Å
65	D	59.4	Low	58.2	Low	15 Å²	15	73.9 Å²	73.9	8%	0.08	37%	0.37	C	S	.	.			trans	-66.5	111.5	178.8	-171.2	-11.4	0	0	0	110.6	Y58 S67 K68	Y58-D65 HydrophobicContact CD2-CB 4.41Å; Y58-D65 HydrophobicContact CE2-CB 3.54Å; D65-S67 VanDerWaalsContact C-N 3.34Å; D65-S67 VanDerWaalsContact CG-OG 3.31Å; D65-S67 PolarHBondContact O-N 2.99Å; D65-S67 WeakPolarHBondContact OD1-CB 2.99Å; D65-S67 PolarHBondContact OD1-N 3.35Å; D65-S67 VanDerWaalsContact OD1-N 3.12Å; D65-S67 PolarHBondContact OD1-OG 3.06Å; D65-S67 PolarHBondContact OD2-OG 3.16Å; D65-K68 HydrophobicContact CB-CD 4.41Å
66	Y	50.5	Low	55.5	Low	105 Å²	105	77 Å²	77	41%	0.412	39%	0.387	S	S	.	.	H	α-helix	trans	-68	-34.6	-177.9	-156.8	-99.5	0	0	0	111.9	D64 K68 T69	D64-Y66 PolarHBondContact O-N 3.37Å; Y66-K68 VanDerWaalsContact C-N 3.28Å; Y66-K68 PolarHBondContact O-N 2.9Å; Y66-T69 PolarHBondContact O-N 3.37Å; Y66-T69 PolarHBondContact O-OG1 2.89Å
67	S	46.3	Very low	52.5	Low	39 Å²	39	83.2 Å²	83.2	27%	0.273	42%	0.419	S	S	.	.	H	α-helix	trans	-61.3	-34	-177	71.3	0	0	0	0	113	D65	D65-S67 VanDerWaalsContact C-N 3.34Å; D65-S67 VanDerWaalsContact CG-OG 3.31Å; D65-S67 PolarHBondContact O-N 2.99Å; D65-S67 WeakPolarHBondContact OD1-CB 2.99Å; D65-S67 PolarHBondContact OD1-N 3.35Å; D65-S67 VanDerWaalsContact OD1-N 3.12Å; D65-S67 PolarHBondContact OD1-OG 3.06Å; D65-S67 PolarHBondContact OD2-OG 3.16Å
68	K	36.7	Very low	49.5	Very low	150 Å²	150	90.9 Å²	90.9	65%	0.652	46%	0.46	S	S	*	.	H	α-helix	trans	-76.2	-21.1	178.4	-72.3	-178.6	-177.8	176.6	0	113.8	D65 Y66	D65-K68 HydrophobicContact CB-CD 4.41Å; Y66-K68 VanDerWaalsContact C-N 3.28Å; Y66-K68 PolarHBondContact O-N 2.9Å
69	T	34.2	Very low	46.8	Very low	85 Å²	85	97.7 Å²	97.7	52%	0.521	49%	0.494	S	S	.	.	H	α-helix	trans	-84.2	-20.5	-176.4	63.3	0	0	0	0	113.6	Y66	Y66-T69 PolarHBondContact O-N 3.37Å; Y66-T69 PolarHBondContact O-OG1 2.89Å
70	H	32.9	Very low	44.4	Very low	117 Å²	117	98.7 Å²	98.7	54%	0.542	52%	0.521	S	S	.	.	H	α-helix	trans	-112.5	-11.4	-178.1	-86.2	38	0	0	0	115.2	N72 N73	H70-N72 PolarHBondContact O-N 2.99Å; H70-N72 VanDerWaalsContact O-N 3.13Å; H70-N73 PolarHBondContact O-N 2.86Å
71	N	29.2	Very low	41.5	Very low	110 Å²	110	106 Å²	106	59%	0.588	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	0	174.9	-88.7	-8.7	0	0	0	115.4
72	N	26.7	Very low	38.8	Very low	141 Å²	141	110.9 Å²	110.9	75%	0.754	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-8.6	169.1	-76	-18.9	0	0	0	113.9	H70	H70-N72 PolarHBondContact O-N 2.99Å; H70-N72 VanDerWaalsContact O-N 3.13Å
73	N	27.2	Very low	36	Very low	148 Å²	148	116.4 Å²	116.4	79%	0.791	62%	0.618	S	S	*	*	S	Bend	trans	-118.4	1.7	-177.6	-75.7	-8.3	0	0	0	115.4	H70	H70-N73 PolarHBondContact O-N 2.86Å
74	H	24.3	Very low	33.3	Very low	160 Å²	160	119.1 Å²	119.1	74%	0.741	64%	0.637	S	S	*	*			trans	-122	13	176.3	-97	-67.2	0	0	0	115.4	N76	H74-N76 PolarHBondContact O-N 3.11Å
75	M	23.8	Very low	31.3	Very low	164 Å²	164	121.7 Å²	121.7	81%	0.808	66%	0.658	S	S	*	*			trans	-79.1	65.3	160.8	-76.1	-76.9	178.3	0	0	109.7
76	N	22.8	Very low	30	Very low	133 Å²	133	127.6 Å²	127.6	71%	0.711	69%	0.69	S	S	*	*	S	Bend	trans	-162.2	112.5	155.6	-88.1	-30.8	0	0	0	106.4	H74	H74-N76 PolarHBondContact O-N 3.11Å
77	N	23.7	Very low	28.8	Very low	147 Å²	147	128.2 Å²	128.2	79%	0.786	70%	0.696	S	S	*	*	S	Bend	trans	81.2	81.6	169.8	-44.1	-26	0	0	0	116.2
78	D	26.1	Very low	28	Very low	162 Å²	162	129.7 Å²	129.7	87%	0.866	70%	0.701	S	S	*	*				179.9	135.8	113.3	-103	-24	0	0	0	111	G80	D78-G80 PolarHBondContact O-N 3.38Å; D78-G80 VanDerWaalsContact O-N 3.1Å
79	H	26.3	Very low	27.7	Very low	194 Å²	194	126.7 Å²	126.7	90%	0.898	70%	0.697	S	S	*	*			trans	-65.5	105.5	177.9	-74.5	-63.1	0	0	0	110.5	N81	H79-N81 PolarHBondContact O-N 2.63Å
80	G	29.8	Very low	27.6	Very low	75 Å²	75	126.9 Å²	126.9	77%	0.773	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-62.9	116.2	179.8	0	0	0	0	0	112.7	D78	D78-G80 PolarHBondContact O-N 3.38Å; D78-G80 VanDerWaalsContact O-N 3.1Å
81	N	25.1	Very low	27.5	Very low	153 Å²	153	128.2 Å²	128.2	82%	0.818	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-62.2	141.8	162.8	-89.6	-30.6	0	0	0	110.2	H79	H79-N81 PolarHBondContact O-N 2.63Å
82	P	28.9	Very low	27.6	Very low	118 Å²	118	126.4 Å²	126.4	77%	0.766	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-62.9	135.9	179.6	-19.1	30.7	0	0	0	112.7
83	I	27.7	Very low	28	Very low	122 Å²	122	123.9 Å²	123.9	63%	0.626	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-67.4	133.7	175.3	-59.2	167.7	0	0	0	109.2	Q87	I83-Q87 HydrophobicContact CG2-CB 4.27Å
84	P	25.5	Very low	28.4	Very low	73 Å²	73	118.5 Å²	118.5	47%	0.474	64%	0.643	S	S	.	*	P	Polyproline II helix	trans	-62	151.3	177.9	-22.4	33.1	0	0	0	113.7	D86	P84-D86 PolarHBondContact O-N 3.12Å; P84-D86 VanDerWaalsContact O-N 3.12Å
85	P	30.8	Very low	28.8	Very low	144 Å²	144	117.4 Å²	117.4	94%	0.935	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-10.8	-170.8	-17.8	30.6	0	0	0	116.4
86	D	31.4	Very low	29.3	Very low	139 Å²	139	111.7 Å²	111.7	74%	0.743	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-5.6	-174.6	71.5	-17.1	0	0	0	114.2	P84	P84-D86 PolarHBondContact O-N 3.12Å; P84-D86 VanDerWaalsContact O-N 3.12Å
87	Q	25.3	Very low	29.7	Very low	118 Å²	118	109.7 Å²	109.7	55%	0.551	61%	0.606	S	S	*	*	S	Bend	trans	-91	129.9	179.6	-75.5	-174.2	-18.4	0	0	112.8	I83 P89	I83-Q87 HydrophobicContact CG2-CB 4.27Å; Q87-P89 VanDerWaalsContact O-CD 3.25Å; Q87-P89 WeakPolarHBondContact O-CD 3.44Å
88	N	30	Very low	30.3	Very low	71 Å²	71	107.9 Å²	107.9	38%	0.38	60%	0.596	S	S	.	*			trans	-65.5	117	175	-179.7	-1.3	0	0	0	110.4	Y90 E91 K269	N88-Y90 PolarHBondContact O-N 3.2Å; N88-Y90 PolarHBondContact OD1-N 3.24Å; N88-Y90 VanDerWaalsContact OD1-N 3.12Å; N88-E91 HydrophobicContact CB-CG 4.21Å; N88-E91 PolarHBondContact O-N 3.49Å; N88-K269 PolarHBondContact OD1-NZ 3.1Å
89	P	29.8	Very low	30.8	Very low	86 Å²	86	108.6 Å²	108.6	56%	0.558	59%	0.592	S	S	*	*	H	α-helix	trans	-59.9	-17	-178.5	-24.4	32.9	0	0	0	114.6	Q87 S92	Q87-P89 VanDerWaalsContact O-CD 3.25Å; Q87-P89 WeakPolarHBondContact O-CD 3.44Å; P89-S92 PolarHBondContact O-N 3.2Å; P89-S92 PolarHBondContact O-OG 3.01Å
90	Y	32.4	Very low	31.3	Very low	90 Å²	90	105.7 Å²	105.7	35%	0.353	58%	0.582	S	S	.	*	H	α-helix	trans	-84	-20.8	176.6	-82	-111.2	0	0	0	113.6	N88 S92 K93 K269 P275	N88-Y90 PolarHBondContact O-N 3.2Å; N88-Y90 PolarHBondContact OD1-N 3.24Å; N88-Y90 VanDerWaalsContact OD1-N 3.12Å; Y90-S92 PolarHBondContact O-N 3.18Å; Y90-K93 PolarHBondContact O-N 3.33Å; Y90-K269 HydrophobicContact CD2-CD 4.36Å; Y90-K269 VanDerWaalsContact CD2-NZ 3.26Å; Y90-K269 HydrophobicContact CE2-CD 4.26Å; Y90-P275 HydrophobicContact CD1-CG 4.32Å; Y90-P275 HydrophobicContact CE1-CG 4.07Å
91	E	29.9	Very low	31.8	Very low	145 Å²	145	104.1 Å²	104.1	68%	0.678	56%	0.559	S	S	*	*	H	α-helix	trans	-66	-29	166.8	-73.4	-177.5	160.9	0	0	110.9	N88	N88-E91 HydrophobicContact CB-CG 4.21Å; N88-E91 PolarHBondContact O-N 3.49Å
92	S	31.6	Very low	32.5	Very low	72 Å²	72	99.8 Å²	99.8	50%	0.503	54%	0.536	S	S	.	.	H	α-helix	trans	-77	-24.1	178.3	81.6	0	0	0	0	114.6	P89 Y90 F94	P89-S92 PolarHBondContact O-N 3.2Å; P89-S92 PolarHBondContact O-OG 3.01Å; Y90-S92 PolarHBondContact O-N 3.18Å; S92-F94 PolarHBondContact O-N 3.47Å
93	K	35.1	Very low	33.4	Very low	88 Å²	88	99.4 Å²	99.4	38%	0.383	53%	0.531	S	S	.	.	H	α-helix	trans	-75.7	-24.7	-168.4	-162	171.9	-177.2	177.8	0	113.5	Y90	Y90-K93 PolarHBondContact O-N 3.33Å
94	F	35.6	Very low	34.5	Very low	35 Å²	35	100.1 Å²	100.1	15%	0.154	54%	0.536	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	58.6	173.5	-70	-84.2	0	0	0	110.3	V54 N55 Y58 M63 S92 Y96	V54-F94 HydrophobicContact CG1-CD1 3.93Å; V54-F94 HydrophobicContact CG1-CE1 4.45Å; N55-F94 WeakPolarHBondContact OD1-CD2 3.24Å; N55-F94 VanDerWaalsContact OD1-CG 3.25Å; N55-F94 WeakPolarHBondContact OD1-CG 3.48Å; Y58-F94 HydrophobicContact CD1-CE1 4.47Å; Y58-F94 AromaticContact CD1-CE2 3.99Å; Y58-F94 HydrophobicContact CD1-CE2 3.99Å; Y58-F94 AromaticContact CD1-CZ 3.44Å; Y58-F94 HydrophobicContact CD1-CZ 3.44Å; Y58-F94 VanDerWaalsContact CD1-CZ 3.44Å; Y58-F94 HydrophobicContact CD2-CE1 4.36Å; Y58-F94 AromaticContact CD2-CZ 3.95Å; Y58-F94 HydrophobicContact CD2-CZ 3.95Å; Y58-F94 HydrophobicContact CE1-CE2 4.34Å; Y58-F94 AromaticContact CE1-CZ 3.88Å; Y58-F94 HydrophobicContact CE1-CZ 3.88Å; Y58-F94 HydrophobicContact CE2-CZ 4.36Å; Y58-F94 HydrophobicContact CG-CE1 4.09Å; Y58-F94 HydrophobicContact CG-CE2 4.41Å; Y58-F94 AromaticContact CG-CZ 3.47Å; Y58-F94 HydrophobicContact CG-CZ 3.47Å; Y58-F94 VanDerWaalsContact CG-CZ 3.47Å; M63-F94 HydrophobicContact CE-CE1 4.38Å; S92-F94 PolarHBondContact O-N 3.47Å; F94-Y96 VanDerWaalsContact C-N 3.31Å; F94-Y96 PolarHBondContact O-N 3.15Å
95	L	32.4	Very low	36.2	Very low	136 Å²	136	98.2 Å²	98.2	71%	0.712	52%	0.524	S	S	*	.			trans	-68.9	93.2	167.2	-161.4	75.2	0	0	0	108.3	P97	L95-P97 VanDerWaalsContact O-CD 3.28Å; L95-P97 WeakPolarHBondContact O-CD 3.14Å
96	Y	34.2	Very low	38.2	Very low	45 Å²	45	93 Å²	93	18%	0.176	49%	0.49	C	S	.	.			trans	-63.1	115.5	152.1	-95.8	-100.5	0	0	0	105.8	V54 F94 D98 P106	V54-Y96 HydrophobicContact CB-CE2 4.02Å; V54-Y96 HydrophobicContact CG1-CD2 4.31Å; V54-Y96 HydrophobicContact CG1-CE2 3.55Å; V54-Y96 HydrophobicContact CG2-CD2 4.36Å; V54-Y96 HydrophobicContact CG2-CE2 3.42Å; V54-Y96 VanDerWaalsContact CG2-CE2 3.42Å; V54-Y96 WeakPolarHBondContact CG2-OH 3.35Å; F94-Y96 VanDerWaalsContact C-N 3.31Å; F94-Y96 PolarHBondContact O-N 3.15Å; Y96-D98 PolarHBondContact O-N 3.2Å; Y96-D98 VanDerWaalsContact O-N 3.09Å; Y96-P106 HydrophobicContact CE1-CG 3.76Å
97	P	33	Very low	40.4	Very low	91 Å²	91	93.8 Å²	93.8	59%	0.591	49%	0.487	S	S	*	.			trans	-68.5	116.8	177.6	28	-29.1	0	0	0	106.9	L95 S101	L95-P97 VanDerWaalsContact O-CD 3.28Å; L95-P97 WeakPolarHBondContact O-CD 3.14Å; P97-S101 WeakPolarHBondContact O-CB 3.47Å; P97-S101 PolarHBondContact O-OG 2.98Å
98	D	35.5	Very low	43	Very low	108 Å²	108	93.3 Å²	93.3	58%	0.578	48%	0.484	S	S	*	.			trans	75.9	136.7	165.2	-158.8	-3.2	0	0	0	117.5	Y96 L100 S101	Y96-D98 PolarHBondContact O-N 3.2Å; Y96-D98 VanDerWaalsContact O-N 3.09Å; D98-L100 HydrophobicContact CB-CB 4.39Å; D98-L100 PolarHBondContact O-N 3.43Å; D98-L100 VanDerWaalsContact O-N 3.07Å; D98-L100 PolarHBondContact OD1-N 3.41Å; D98-L100 WeakPolarHBondContact OD2-CB 3.28Å; D98-S101 PolarHBondContact O-N 3.35Å; D98-S101 PolarHBondContact O-OG 3.17Å
99	K	36.1	Very low	45.7	Very low	178 Å²	178	90 Å²	90	77%	0.774	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-53.3	-25.2	168	-92.8	177.8	174.7	174.6	0	112.1	S101 L102	K99-S101 VanDerWaalsContact C-N 3.34Å; K99-S101 PolarHBondContact O-N 3.01Å; K99-L102 HydrophobicContact CB-CD1 4.31Å; K99-L102 HydrophobicContact CG-CD1 4Å; K99-L102 WeakPolarHBondContact O-CB 3.14Å; K99-L102 PolarHBondContact O-N 3.16Å
100	L	36.8	Very low	48.5	Very low	132 Å²	132	87.9 Å²	87.9	69%	0.691	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-65.2	-32.9	177.7	-138.8	78	0	0	0	113	D98 L102 T103	D98-L100 HydrophobicContact CB-CB 4.39Å; D98-L100 PolarHBondContact O-N 3.43Å; D98-L100 VanDerWaalsContact O-N 3.07Å; D98-L100 PolarHBondContact OD1-N 3.41Å; D98-L100 WeakPolarHBondContact OD2-CB 3.28Å; L100-L102 VanDerWaalsContact C-N 3.27Å; L100-L102 PolarHBondContact O-N 2.87Å; L100-T103 PolarHBondContact O-OG1 3.44Å
101	S	40.8	Very low	51.2	Low	42 Å²	42	86.6 Å²	86.6	29%	0.294	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-74.6	-13.8	177.1	67.9	0	0	0	0	113.7	P97 D98 K99 T103 N104	P97-S101 WeakPolarHBondContact O-CB 3.47Å; P97-S101 PolarHBondContact O-OG 2.98Å; D98-S101 PolarHBondContact O-N 3.35Å; D98-S101 PolarHBondContact O-OG 3.17Å; K99-S101 VanDerWaalsContact C-N 3.34Å; K99-S101 PolarHBondContact O-N 3.01Å; S101-T103 VanDerWaalsContact C-N 3.25Å; S101-T103 PolarHBondContact O-N 3.43Å; S101-N104 CarbonylContact O-C 3.54Å; S101-N104 PolarHBondContact O-N 3.35Å
102	L	39.4	Very low	54	Low	63 Å²	63	79.8 Å²	79.8	33%	0.33	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-72.7	-15	177	-59.6	171.7	0	0	0	113.4	I50 K99 L100	I50-L102 HydrophobicContact CB-CD2 3.98Å; I50-L102 HydrophobicContact CD1-CB 4.43Å; I50-L102 HydrophobicContact CD1-CD2 4.44Å; I50-L102 VanDerWaalsContact CD1-O 3.3Å; I50-L102 WeakPolarHBondContact CD1-O 3.3Å; I50-L102 HydrophobicContact CG2-CD2 4.21Å; K99-L102 HydrophobicContact CB-CD1 4.31Å; K99-L102 HydrophobicContact CG-CD1 4Å; K99-L102 WeakPolarHBondContact O-CB 3.14Å; K99-L102 PolarHBondContact O-N 3.16Å; L100-L102 VanDerWaalsContact C-N 3.27Å; L100-L102 PolarHBondContact O-N 2.87Å
103	T	47.9	Very low	56.9	Low	109 Å²	109	76.4 Å²	76.4	67%	0.669	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-74.9	-27.2	178.2	57.8	0	0	0	0	112.9	L100 S101	L100-T103 PolarHBondContact O-OG1 3.44Å; S101-T103 VanDerWaalsContact C-N 3.25Å; S101-T103 PolarHBondContact O-N 3.43Å
104	N	51.8	Low	59.7	Low	137 Å²	137	76.7 Å²	76.7	73%	0.733	39%	0.393	S	S	*	.	S	Bend	trans	-136.9	90.7	176.9	-81.7	-34.5	0	0	0	109.8	S101	S101-N104 CarbonylContact O-C 3.54Å; S101-N104 PolarHBondContact O-N 3.35Å
105	P	61.1	Low	62.3	Low	33 Å²	33	80.2 Å²	80.2	21%	0.214	41%	0.409	C	S	.	.			trans	-61.6	145.9	-179.4	22.4	-31.3	0	0	0	111.8	F109 N110	P105-F109 HydrophobicContact CB-CB 4.31Å; P105-F109 HydrophobicContact CB-CD1 3.4Å; P105-F109 VanDerWaalsContact CB-CD1 3.4Å; P105-F109 HydrophobicContact CB-CE1 3.92Å; P105-F109 HydrophobicContact CB-CG 4.1Å; P105-F109 HydrophobicContact CG-CD1 3.98Å; P105-F109 HydrophobicContact CG-CE1 4.24Å; P105-N110 PolarHBondContact O-ND2 3.38Å
106	P	71.8	Confident	65.2	Low	34 Å²	34	73.7 Å²	73.7	22%	0.221	38%	0.375	C	S	.	.			trans	-54.6	154.7	-178.1	-25.5	32.8	0	0	0	113.4	Y96 E108 F109 N110	Y96-P106 HydrophobicContact CE1-CG 3.76Å; P106-E108 WeakPolarHBondContact CB-OE2 3.21Å; P106-E108 PolarHBondContact O-N 3.4Å; P106-F109 WeakPolarHBondContact O-CB 3.26Å; P106-F109 PolarHBondContact O-N 3.43Å; P106-N110 PolarHBondContact O-N 2.86Å; P106-N110 PolarHBondContact O-ND2 2.87Å
107	K	77.4	Confident	68	Low	156 Å²	156	71.6 Å²	71.6	68%	0.678	37%	0.366	S	S	*	.	H	α-helix	trans	-57.3	-34.2	177.7	-173.7	178.1	179.8	179.7	0	111.3	N110 N111	K107-N110 PolarHBondContact O-N 3.18Å; K107-N111 WeakPolarHBondContact O-CB 3.28Å; K107-N111 PolarHBondContact O-N 2.86Å; K107-N111 PolarHBondContact O-ND2 3.34Å
108	E	80.2	Confident	70.8	Confident	108 Å²	108	72 Å²	72	51%	0.505	36%	0.362	S	S	.	.	H	α-helix	trans	-61	-45.4	176.1	-64.9	69.6	-151.6	0	0	111.7	P106 N111 A112	P106-E108 WeakPolarHBondContact CB-OE2 3.21Å; P106-E108 PolarHBondContact O-N 3.4Å; E108-N111 PolarHBondContact O-N 2.81Å; E108-A112 WeakPolarHBondContact O-CB 3.38Å; E108-A112 PolarHBondContact O-N 3.44Å
109	F	86	Confident	73.3	Confident	3 Å²	3	70.1 Å²	70.1	1%	0.013	35%	0.35	C	S	.	.	H	α-helix	trans	-63.2	-49	176.9	176.2	-100.2	0	0	0	111.5	I50 A53 V54 L57 P105 P106 N111 A112 I113	I50-F109 HydrophobicContact CG2-CE1 4.32Å; I50-F109 HydrophobicContact CG2-CE2 4.22Å; I50-F109 HydrophobicContact CG2-CZ 4Å; A53-F109 HydrophobicContact CB-CE2 4.04Å; A53-F109 HydrophobicContact CB-CZ 4.1Å; V54-F109 HydrophobicContact CG2-CD2 3.52Å; V54-F109 HydrophobicContact CG2-CE2 3.64Å; L57-F109 HydrophobicContact CD1-CD2 3.89Å; L57-F109 HydrophobicContact CD1-CE2 3.66Å; L57-F109 HydrophobicContact CD1-CZ 4.5Å; P105-F109 HydrophobicContact CB-CB 4.31Å; P105-F109 HydrophobicContact CB-CD1 3.4Å; P105-F109 VanDerWaalsContact CB-CD1 3.4Å; P105-F109 HydrophobicContact CB-CE1 3.92Å; P105-F109 HydrophobicContact CB-CG 4.1Å; P105-F109 HydrophobicContact CG-CD1 3.98Å; P105-F109 HydrophobicContact CG-CE1 4.24Å; P106-F109 WeakPolarHBondContact O-CB 3.26Å; P106-F109 PolarHBondContact O-N 3.43Å; F109-N111 PolarHBondContact O-N 2.85Å; F109-A112 WeakPolarHBondContact O-CB 3.28Å; F109-A112 PolarHBondContact O-N 3.27Å; F109-A112 VanDerWaalsContact O-N 3.08Å; F109-I113 HydrophobicContact CD1-CD1 3.83Å; F109-I113 HydrophobicContact CE1-CD1 3.29Å; F109-I113 HydrophobicContact CE1-CG1 4.26Å; F109-I113 HydrophobicContact CE2-CD1 4.33Å; F109-I113 HydrophobicContact CZ-CD1 3.59Å; F109-I113 HydrophobicContact CZ-CG1 4.32Å; F109-I113 PolarHBondContact O-N 2.99Å
110	N	89.1	Confident	75.9	Confident	40 Å²	40	62.3 Å²	62.3	21%	0.214	32%	0.316	C	S	.	.	H	α-helix	trans	-61.8	-34.3	178.2	-64.5	-37.6	0	0	0	111.6	P105 P106 K107 R114 G126	P105-N110 PolarHBondContact O-ND2 3.38Å; P106-N110 PolarHBondContact O-N 2.86Å; P106-N110 PolarHBondContact O-ND2 2.87Å; K107-N110 PolarHBondContact O-N 3.18Å; N110-R114 WeakPolarHBondContact O-CG 3.27Å; N110-R114 PolarHBondContact O-N 3.2Å; N110-R114 VanDerWaalsContact O-N 3.1Å; N110-R114 PolarHBondContact O-NH1 3.49Å; N110-G126 PolarHBondContact OD1-O 3.04Å
111	N	89.4	Confident	78.5	Confident	63 Å²	63	63.1 Å²	63.1	34%	0.337	32%	0.321	S	S	.	.	H	α-helix	trans	-70.7	-38.7	174	-72.6	-17.5	0	0	0	112.5	K107 E108 F109 I113 R114 K115	K107-N111 WeakPolarHBondContact O-CB 3.28Å; K107-N111 PolarHBondContact O-N 2.86Å; K107-N111 PolarHBondContact O-ND2 3.34Å; E108-N111 PolarHBondContact O-N 2.81Å; F109-N111 PolarHBondContact O-N 2.85Å; N111-I113 VanDerWaalsContact C-N 3.34Å; N111-R114 PolarHBondContact O-N 3.23Å; N111-R114 PolarHBondContact OD1-NH1 3.37Å; N111-K115 WeakPolarHBondContact O-CG 3.3Å; N111-K115 PolarHBondContact O-N 3.12Å
112	A	89.9	Confident	80.9	Confident	2 Å²	2	62.1 Å²	62.1	2%	0.017	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-43.7	174.1	0	0	0	0	0	111.1	L57 Y62 M63 E108 F109 R114 K115 F116	L57-A112 HydrophobicContact CB-CB 4.45Å; L57-A112 HydrophobicContact CD1-CB 4.07Å; L57-A112 HydrophobicContact CD2-CB 4.42Å; Y62-A112 WeakPolarHBondContact O-CB 3.21Å; M63-A112 HydrophobicContact CB-CB 3.95Å; M63-A112 HydrophobicContact CG-CB 4.23Å; E108-A112 WeakPolarHBondContact O-CB 3.38Å; E108-A112 PolarHBondContact O-N 3.44Å; F109-A112 WeakPolarHBondContact O-CB 3.28Å; F109-A112 PolarHBondContact O-N 3.27Å; F109-A112 VanDerWaalsContact O-N 3.08Å; A112-R114 PolarHBondContact O-N 3.36Å; A112-K115 PolarHBondContact O-N 3.28Å; A112-F116 PolarHBondContact O-N 3.1Å
113	I	92.3	Very high	83.4	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-58.2	-47	172.8	-69.2	177.8	0	0	0	111.2	L57 F109 N111 K115 F116 Q117 L128 T132	L57-I113 HydrophobicContact CD1-CG1 3.89Å; F109-I113 HydrophobicContact CD1-CD1 3.83Å; F109-I113 HydrophobicContact CE1-CD1 3.29Å; F109-I113 HydrophobicContact CE1-CG1 4.26Å; F109-I113 HydrophobicContact CE2-CD1 4.33Å; F109-I113 HydrophobicContact CZ-CD1 3.59Å; F109-I113 HydrophobicContact CZ-CG1 4.32Å; F109-I113 PolarHBondContact O-N 2.99Å; N111-I113 VanDerWaalsContact C-N 3.34Å; I113-K115 VanDerWaalsContact C-N 3.31Å; I113-K115 PolarHBondContact O-N 2.77Å; I113-F116 WeakPolarHBondContact O-CB 3.46Å; I113-F116 PolarHBondContact O-N 3.47Å; I113-Q117 HydrophobicContact CG2-CG 4.08Å; I113-Q117 WeakPolarHBondContact O-CB 3.28Å; I113-Q117 VanDerWaalsContact O-CG 3.32Å; I113-Q117 WeakPolarHBondContact O-CG 3.34Å; I113-Q117 PolarHBondContact O-N 3.37Å; I113-L128 HydrophobicContact CD1-CB 4.03Å; I113-L128 HydrophobicContact CD1-CD1 4.31Å; I113-T132 HydrophobicContact CG2-CG2 4.15Å
114	R	92.3	Very high	85.6	Confident	94 Å²	94	63.2 Å²	63.2	36%	0.355	32%	0.318	S	S	.	.	H	α-helix	trans	-58.8	-43.1	178.3	-72.5	-177.3	-174.2	90.2	10.1	112	N110 N111 A112 F116 Q117 I118 I124 G126	N110-R114 WeakPolarHBondContact O-CG 3.27Å; N110-R114 PolarHBondContact O-N 3.2Å; N110-R114 VanDerWaalsContact O-N 3.1Å; N110-R114 PolarHBondContact O-NH1 3.49Å; N111-R114 PolarHBondContact O-N 3.23Å; N111-R114 PolarHBondContact OD1-NH1 3.37Å; A112-R114 PolarHBondContact O-N 3.36Å; R114-F116 VanDerWaalsContact C-N 3.34Å; R114-F116 PolarHBondContact O-N 2.87Å; R114-Q117 PolarHBondContact O-N 3.39Å; R114-I118 WeakPolarHBondContact O-CB 3.41Å; R114-I118 WeakPolarHBondContact O-CD1 3.31Å; R114-I118 WeakPolarHBondContact O-CG1 3.41Å; R114-I118 PolarHBondContact O-N 3.05Å; R114-I124 HydrophobicContact CB-CG2 4.1Å; R114-I124 HydrophobicContact CG-CG2 3.87Å; R114-G126 VanDerWaalsContact CG-CA 3.48Å
115	K	91.4	Very high	87.5	Confident	109 Å²	109	59.3 Å²	59.3	47%	0.474	30%	0.299	S	S	.	.	H	α-helix	trans	-60.9	-43.9	176.8	-67	173.1	-169.5	169.4	0	111.4	Y62 N111 A112 I113 I118 Q119	Y62-K115 HydrophobicContact CD1-CB 3.7Å; Y62-K115 HydrophobicContact CE1-CB 4.38Å; Y62-K115 PolarHBondContact O-NZ 2.91Å; N111-K115 WeakPolarHBondContact O-CG 3.3Å; N111-K115 PolarHBondContact O-N 3.12Å; A112-K115 PolarHBondContact O-N 3.28Å; I113-K115 VanDerWaalsContact C-N 3.31Å; I113-K115 PolarHBondContact O-N 2.77Å; K115-I118 PolarHBondContact O-N 2.88Å; K115-Q119 PolarHBondContact O-N 3.5Å
116	F	92.2	Very high	88.9	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.8	-46.5	176.1	178.3	-93.2	0	0	0	111.8	L57 Y62 A112 I113 R114 I118 Q119 Y120 L122 T132 L135 L136 Y347	L57-F116 HydrophobicContact CD2-CB 4.05Å; L57-F116 HydrophobicContact CD2-CG 4.42Å; Y62-F116 HydrophobicContact CD1-CB 4.03Å; Y62-F116 HydrophobicContact CD2-CB 4.36Å; Y62-F116 AromaticContact CD2-CD2 3.99Å; Y62-F116 HydrophobicContact CD2-CD2 3.99Å; Y62-F116 VanDerWaalsContact CE1-CA 3.5Å; Y62-F116 HydrophobicContact CE1-CB 4.09Å; Y62-F116 HydrophobicContact CE1-CD2 4.43Å; Y62-F116 HydrophobicContact CE2-CB 4.45Å; Y62-F116 AromaticContact CE2-CD2 3.56Å; Y62-F116 HydrophobicContact CE2-CD2 3.56Å; Y62-F116 HydrophobicContact CE2-CE2 4.36Å; Y62-F116 HydrophobicContact CE2-CG 4.49Å; Y62-F116 HydrophobicContact CG-CB 4.16Å; Y62-F116 AromaticContact CZ-CD2 3.8Å; A112-F116 PolarHBondContact O-N 3.1Å; I113-F116 WeakPolarHBondContact O-CB 3.46Å; I113-F116 PolarHBondContact O-N 3.47Å; R114-F116 VanDerWaalsContact C-N 3.34Å; R114-F116 PolarHBondContact O-N 2.87Å; F116-I118 VanDerWaalsContact C-N 3.34Å; F116-I118 PolarHBondContact O-N 3.37Å; F116-Q119 PolarHBondContact O-N 2.84Å; F116-Y120 AromaticContact CD2-CD2 3.93Å; F116-Y120 HydrophobicContact CD2-CD2 3.93Å; F116-Y120 AromaticContact CD2-CE2 3.86Å; F116-Y120 HydrophobicContact CD2-CE2 3.86Å; F116-Y120 HydrophobicContact CE1-CD2 4.29Å; F116-Y120 AromaticContact CE2-CD2 3.65Å; F116-Y120 HydrophobicContact CE2-CD2 3.65Å; F116-Y120 AromaticContact CE2-CE2 3.49Å; F116-Y120 HydrophobicContact CE2-CE2 3.49Å; F116-Y120 VanDerWaalsContact CE2-CE2 3.49Å; F116-Y120 HydrophobicContact CG-CD2 4.36Å; F116-Y120 AromaticContact CZ-CD2 3.85Å; F116-Y120 HydrophobicContact CZ-CD2 3.85Å; F116-Y120 HydrophobicContact CZ-CE2 4.08Å; F116-Y120 WeakPolarHBondContact O-CD2 3.42Å; F116-Y120 PolarHBondContact O-N 3.22Å; F116-Y120 VanDerWaalsContact O-N 3.15Å; F116-L122 HydrophobicContact CD1-CD1 4.39Å; F116-L122 HydrophobicContact CE1-CD1 4.04Å; F116-T132 HydrophobicContact CD1-CG2 4.08Å; F116-T132 HydrophobicContact CE1-CG2 4.23Å; F116-L135 HydrophobicContact CE1-CB 4.28Å; F116-L135 HydrophobicContact CE1-CD2 4.09Å; F116-L135 HydrophobicContact CE1-CG 4.29Å; F116-L135 HydrophobicContact CZ-CB 4.23Å; F116-L135 HydrophobicContact CZ-CD2 4.03Å; F116-L135 HydrophobicContact CZ-CG 3.93Å; F116-L136 HydrophobicContact CD2-CD1 4.18Å; F116-L136 HydrophobicContact CE2-CD1 3.81Å; F116-L136 HydrophobicContact CZ-CB 4.27Å; F116-L136 HydrophobicContact CZ-CD1 4Å; F116-Y347 WeakPolarHBondContact CZ-OH 3.41Å
117	Q	94.6	Very high	89.8	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.6	-41.5	177.6	-71.7	171.5	-25.7	0	0	112.1	I113 R114 Y120 N121 L122 P123 T125 K127 D129 T132	I113-Q117 HydrophobicContact CG2-CG 4.08Å; I113-Q117 WeakPolarHBondContact O-CB 3.28Å; I113-Q117 VanDerWaalsContact O-CG 3.32Å; I113-Q117 WeakPolarHBondContact O-CG 3.34Å; I113-Q117 PolarHBondContact O-N 3.37Å; R114-Q117 PolarHBondContact O-N 3.39Å; Q117-Y120 PolarHBondContact O-N 2.94Å; Q117-N121 WeakPolarHBondContact O-CA 3.47Å; Q117-N121 PolarHBondContact O-N 3.4Å; Q117-L122 HydrophobicContact CB-CB 4Å; Q117-L122 HydrophobicContact CG-CB 4.02Å; Q117-L122 HydrophobicContact CG-CD1 4.31Å; Q117-L122 PolarHBondContact O-N 3.48Å; Q117-P123 PolarHBondContact NE2-O 3.14Å; Q117-P123 PolarHBondContact OE1-O 3.22Å; Q117-T125 PolarHBondContact NE2-OG1 3.18Å; Q117-K127 PolarHBondContact NE2-O 2.79Å; Q117-D129 PolarHBondContact NE2-OD2 2.77Å; Q117-T132 HydrophobicContact CG-CG2 4.45Å; Q117-T132 PolarHBondContact NE2-OG1 3.31Å
118	I	90.5	Very high	90.3	Very high	99 Å²	99	57.3 Å²	57.3	51%	0.508	29%	0.286	S	S	.	.	H	α-helix	trans	-61	-46.5	174.3	-71.1	163.1	0	0	0	110.6	R114 K115 F116 Y120 N121 I124	R114-I118 WeakPolarHBondContact O-CB 3.41Å; R114-I118 WeakPolarHBondContact O-CD1 3.31Å; R114-I118 WeakPolarHBondContact O-CG1 3.41Å; R114-I118 PolarHBondContact O-N 3.05Å; K115-I118 PolarHBondContact O-N 2.88Å; F116-I118 VanDerWaalsContact C-N 3.34Å; F116-I118 PolarHBondContact O-N 3.37Å; I118-Y120 VanDerWaalsContact C-N 3.28Å; I118-Y120 PolarHBondContact O-N 2.81Å; I118-N121 PolarHBondContact O-N 3.47Å; I118-I124 HydrophobicContact CD1-CD1 4.36Å; I118-I124 HydrophobicContact CG1-CD1 3.62Å; I118-I124 HydrophobicContact CG1-CG1 3.97Å; I118-I124 HydrophobicContact CG1-CG2 4.47Å
119	Q	88.9	Confident	90.8	Very high	70 Å²	70	54.2 Å²	54.2	33%	0.327	27%	0.272	S	S	.	.	H	α-helix	trans	-58.7	-41.3	-178	178	62.4	22.9	0	0	112.1	Y62 K115 F116	Y62-Q119 HydrophobicContact CE1-CB 4.11Å; Y62-Q119 VanDerWaalsContact OH-CG 3.31Å; Y62-Q119 WeakPolarHBondContact OH-CG 3.36Å; K115-Q119 PolarHBondContact O-N 3.5Å; F116-Q119 PolarHBondContact O-N 2.84Å
120	Y	89.6	Confident	91	Very high	13 Å²	13	58.8 Å²	58.8	5%	0.051	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	15.8	-175.7	-65.4	-70.7	0	0	0	114.3	Y62 F116 Q117 I118 L122 L135 R140 D145 Y347	Y62-Y120 WeakPolarHBondContact OH-CE2 3.05Å; F116-Y120 AromaticContact CD2-CD2 3.93Å; F116-Y120 HydrophobicContact CD2-CD2 3.93Å; F116-Y120 AromaticContact CD2-CE2 3.86Å; F116-Y120 HydrophobicContact CD2-CE2 3.86Å; F116-Y120 HydrophobicContact CE1-CD2 4.29Å; F116-Y120 AromaticContact CE2-CD2 3.65Å; F116-Y120 HydrophobicContact CE2-CD2 3.65Å; F116-Y120 AromaticContact CE2-CE2 3.49Å; F116-Y120 HydrophobicContact CE2-CE2 3.49Å; F116-Y120 VanDerWaalsContact CE2-CE2 3.49Å; F116-Y120 HydrophobicContact CG-CD2 4.36Å; F116-Y120 AromaticContact CZ-CD2 3.85Å; F116-Y120 HydrophobicContact CZ-CD2 3.85Å; F116-Y120 HydrophobicContact CZ-CE2 4.08Å; F116-Y120 WeakPolarHBondContact O-CD2 3.42Å; F116-Y120 PolarHBondContact O-N 3.22Å; F116-Y120 VanDerWaalsContact O-N 3.15Å; Q117-Y120 PolarHBondContact O-N 2.94Å; I118-Y120 VanDerWaalsContact C-N 3.28Å; I118-Y120 PolarHBondContact O-N 2.81Å; Y120-L122 PolarHBondContact O-N 3.35Å; Y120-L135 VanDerWaalsContact CB-CD2 3.5Å; Y120-L135 HydrophobicContact CD1-CD2 4.37Å; Y120-L135 HydrophobicContact CD2-CD2 4.11Å; Y120-L135 HydrophobicContact CG-CD2 3.74Å; Y120-R140 PolarHBondContact OH-NH1 2.99Å; Y120-R140 VanDerWaalsContact OH-NH1 3.09Å; Y120-R140 PolarHBondContact OH-NH2 2.87Å; Y120-D145 VanDerWaalsContact OH-CG 3.27Å; Y120-D145 PolarHBondContact OH-OD1 3.07Å; Y120-D145 PolarHBondContact OH-OD2 2.96Å; Y120-Y347 HydrophobicContact CD1-CD2 4.37Å; Y120-Y347 AromaticContact CD1-CE2 3.89Å; Y120-Y347 HydrophobicContact CD1-CE2 3.89Å; Y120-Y347 HydrophobicContact CD2-CE2 4.42Å; Y120-Y347 AromaticContact CE1-CD2 3.77Å; Y120-Y347 HydrophobicContact CE1-CD2 3.77Å; Y120-Y347 AromaticContact CE1-CE2 3.37Å; Y120-Y347 HydrophobicContact CE1-CE2 3.37Å; Y120-Y347 AromaticContact CE2-CE2 3.94Å; Y120-Y347 HydrophobicContact CE2-CE2 3.94Å; Y120-Y347 HydrophobicContact CG-CE2 4.39Å; Y120-Y347 AromaticContact CZ-CE2 3.37Å; Y120-Y347 WeakPolarHBondContact OH-CE2 3.37Å
121	N	91.3	Very high	91.1	Very high	150 Å²	150	59.1 Å²	59.1	80%	0.802	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	34.8	179.1	-57.9	-61.3	0	0	0	113.9	Q117 I118	Q117-N121 WeakPolarHBondContact O-CA 3.47Å; Q117-N121 PolarHBondContact O-N 3.4Å; I118-N121 PolarHBondContact O-N 3.47Å
122	L	91.3	Very high	91.2	Very high	21 Å²	21	56.1 Å²	56.1	11%	0.11	28%	0.284	C	S	.	.			trans	-79	158.9	169.6	-62.5	178.9	0	0	0	110.2	F116 Q117 Y120 I124 A131 L135	F116-L122 HydrophobicContact CD1-CD1 4.39Å; F116-L122 HydrophobicContact CE1-CD1 4.04Å; Q117-L122 HydrophobicContact CB-CB 4Å; Q117-L122 HydrophobicContact CG-CB 4.02Å; Q117-L122 HydrophobicContact CG-CD1 4.31Å; Q117-L122 PolarHBondContact O-N 3.48Å; Y120-L122 PolarHBondContact O-N 3.35Å; L122-I124 PolarHBondContact O-N 3Å; L122-A131 HydrophobicContact CD2-CB 4.39Å; L122-L135 HydrophobicContact CD1-CB 4.45Å; L122-L135 HydrophobicContact CD1-CD2 3.84Å; L122-L135 HydrophobicContact CD2-CD2 4.31Å; L122-L135 HydrophobicContact CG-CD2 4.19Å
123	P	92.2	Very high	91.3	Very high	90 Å²	90	58 Å²	58	58%	0.584	29%	0.292	S	S	*	.			trans	-52.9	125.3	168.5	-25.4	35.1	0	0	0	111.1	Q117 T125	Q117-P123 PolarHBondContact NE2-O 3.14Å; Q117-P123 PolarHBondContact OE1-O 3.22Å; P123-T125 VanDerWaalsContact C-N 3.28Å; P123-T125 HydrophobicContact CB-CG2 4.2Å; P123-T125 PolarHBondContact O-N 3.39Å
124	I	93.6	Very high	91.2	Very high	105 Å²	105	60 Å²	60	54%	0.538	30%	0.303	S	S	.	.			trans	-79.4	77.1	-175.5	-50.6	169.5	0	0	0	109.5	R114 I118 L122	R114-I124 HydrophobicContact CB-CG2 4.1Å; R114-I124 HydrophobicContact CG-CG2 3.87Å; I118-I124 HydrophobicContact CD1-CD1 4.36Å; I118-I124 HydrophobicContact CG1-CD1 3.62Å; I118-I124 HydrophobicContact CG1-CG1 3.97Å; I118-I124 HydrophobicContact CG1-CG2 4.47Å; L122-I124 PolarHBondContact O-N 3Å
125	T	92.6	Very high	91.1	Very high	54 Å²	54	56 Å²	56	33%	0.331	29%	0.289	S	S	.	.			trans	-87.7	-27.7	179.7	66.7	0	0	0	0	112	Q117 P123 K127 D129	Q117-T125 PolarHBondContact NE2-OG1 3.18Å; P123-T125 VanDerWaalsContact C-N 3.28Å; P123-T125 HydrophobicContact CB-CG2 4.2Å; P123-T125 PolarHBondContact O-N 3.39Å; T125-K127 PolarHBondContact O-N 3.38Å; T125-K127 PolarHBondContact OG1-N 2.73Å; T125-K127 VanDerWaalsContact OG1-N 3.1Å; T125-K127 PolarHBondContact OG1-O 2.93Å; T125-D129 VanDerWaalsContact CG2-OD2 3.28Å; T125-D129 WeakPolarHBondContact CG2-OD2 3.42Å; T125-D129 PolarHBondContact OG1-OD2 3.34Å
126	G	89.4	Confident	91.1	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.01	27%	0.266	C	S	.	.	S	Bend	trans	63.4	16.5	-167.3	0	0	0	0	0	113.5	N110 R114	N110-G126 PolarHBondContact OD1-O 3.04Å; R114-G126 VanDerWaalsContact CG-CA 3.48Å
127	K	90.4	Very high	91	Very high	150 Å²	150	52.6 Å²	52.6	65%	0.652	28%	0.275	S	S	*	.	S	Bend	trans	-118.2	152.1	179.3	-63.5	-177.7	-179.8	-177.4	0	109.3	Q117 T125 D129	Q117-K127 PolarHBondContact NE2-O 2.79Å; T125-K127 PolarHBondContact O-N 3.38Å; T125-K127 PolarHBondContact OG1-N 2.73Å; T125-K127 VanDerWaalsContact OG1-N 3.1Å; T125-K127 PolarHBondContact OG1-O 2.93Å; K127-D129 PolarHBondContact O-N 2.8Å
128	L	88.5	Confident	90.8	Very high	31 Å²	31	53.3 Å²	53.3	16%	0.162	28%	0.28	C	S	.	.			trans	-77.9	62.3	176.1	-165	66.9	0	0	0	110.3	L48 A53 I113 T132 K133 L136	L48-L128 HydrophobicContact CD2-CD1 4.23Å; L48-L128 HydrophobicContact CD2-CD2 4.32Å; A53-L128 HydrophobicContact CB-CD1 3.95Å; A53-L128 HydrophobicContact CB-CD2 3.79Å; I113-L128 HydrophobicContact CD1-CB 4.03Å; I113-L128 HydrophobicContact CD1-CD1 4.31Å; L128-T132 HydrophobicContact CD1-CG2 4.21Å; L128-K133 HydrophobicContact CD1-CG 3.94Å; L128-K133 HydrophobicContact CD2-CD 4.39Å; L128-K133 HydrophobicContact CD2-CG 4.16Å; L128-K133 HydrophobicContact CG-CD 4.14Å; L128-K133 HydrophobicContact CG-CG 3.53Å; L128-K133 WeakPolarHBondContact O-CE 3.31Å; L128-L136 HydrophobicContact CD1-CD2 4.26Å
129	D	90.6	Very high	90.9	Very high	42 Å²	42	50.1 Å²	50.1	23%	0.225	27%	0.265	C	S	.	.			trans	-73.1	168.1	178.8	59.4	47.5	0	0	0	112.5	Q117 T125 K127 A131 T132 K133	Q117-D129 PolarHBondContact NE2-OD2 2.77Å; T125-D129 VanDerWaalsContact CG2-OD2 3.28Å; T125-D129 WeakPolarHBondContact CG2-OD2 3.42Å; T125-D129 PolarHBondContact OG1-OD2 3.34Å; K127-D129 PolarHBondContact O-N 2.8Å; D129-A131 VanDerWaalsContact C-N 3.3Å; D129-A131 PolarHBondContact O-N 2.81Å; D129-A131 PolarHBondContact OD1-N 3.14Å; D129-T132 WeakPolarHBondContact O-CB 3.5Å; D129-T132 PolarHBondContact O-N 3.46Å; D129-T132 VanDerWaalsContact O-N 3.1Å; D129-T132 VanDerWaalsContact OD1-CB 3.25Å; D129-T132 WeakPolarHBondContact OD1-CB 3.27Å; D129-T132 PolarHBondContact OD1-N 3.08Å; D129-T132 PolarHBondContact OD1-OG1 3.34Å; D129-K133 WeakPolarHBondContact O-CG 3.09Å; D129-K133 PolarHBondContact O-N 2.8Å
130	K	90.2	Very high	91.1	Very high	100 Å²	100	46.9 Å²	46.9	44%	0.435	25%	0.25	S	S	.	.	H	α-helix	trans	-56	-41.8	-173.5	-176.1	166.1	-178	154.3	0	113.2	N43 D46 N134	N43-K130 WeakPolarHBondContact OD1-CE 3.49Å; N43-K130 PolarHBondContact OD1-NZ 3.02Å; D46-K130 IonicContact OD1-NZ 3.1Å; D46-K130 IonicContact OD2-NZ 2.87Å; K130-N134 WeakPolarHBondContact O-CB 3.32Å; K130-N134 PolarHBondContact O-N 3.33Å; K130-N134 PolarHBondContact O-ND2 3.03Å
131	A	91	Very high	91.3	Very high	46 Å²	46	46.5 Å²	46.5	38%	0.38	25%	0.249	S	C	.	.	H	α-helix	trans	-66.2	-44	178.7	0	0	0	0	0	111.3	L122 D129 N134 L135	L122-A131 HydrophobicContact CD2-CB 4.39Å; D129-A131 VanDerWaalsContact C-N 3.3Å; D129-A131 PolarHBondContact O-N 2.81Å; D129-A131 PolarHBondContact OD1-N 3.14Å; A131-N134 PolarHBondContact O-N 3.45Å; A131-L135 WeakPolarHBondContact O-CB 3.17Å; A131-L135 PolarHBondContact O-N 2.91Å
132	T	92.6	Very high	91.2	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-46.9	176.4	-54.7	0	0	0	0	111.3	I113 F116 Q117 L128 D129 L135 L136	I113-T132 HydrophobicContact CG2-CG2 4.15Å; F116-T132 HydrophobicContact CD1-CG2 4.08Å; F116-T132 HydrophobicContact CE1-CG2 4.23Å; Q117-T132 HydrophobicContact CG-CG2 4.45Å; Q117-T132 PolarHBondContact NE2-OG1 3.31Å; L128-T132 HydrophobicContact CD1-CG2 4.21Å; D129-T132 WeakPolarHBondContact O-CB 3.5Å; D129-T132 PolarHBondContact O-N 3.46Å; D129-T132 VanDerWaalsContact O-N 3.1Å; D129-T132 VanDerWaalsContact OD1-CB 3.25Å; D129-T132 WeakPolarHBondContact OD1-CB 3.27Å; D129-T132 PolarHBondContact OD1-N 3.08Å; D129-T132 PolarHBondContact OD1-OG1 3.34Å; T132-L135 PolarHBondContact O-N 3.25Å; T132-L136 VanDerWaalsContact O-CB 3.24Å; T132-L136 WeakPolarHBondContact O-CB 3.42Å; T132-L136 PolarHBondContact O-N 3.01Å
133	K	91.3	Very high	91	Very high	42 Å²	42	38.7 Å²	38.7	18%	0.183	21%	0.208	C	C	.	.	H	α-helix	trans	-58.7	-51.3	177.4	-70.5	-169.5	-175	-155.7	0	111.8	G45 L48 L128 D129 L135 L136 I137	G45-K133 WeakPolarHBondContact O-CD 3.45Å; L48-K133 HydrophobicContact CB-CD 4.17Å; L48-K133 HydrophobicContact CB-CG 4.36Å; L48-K133 HydrophobicContact CD2-CB 4.28Å; L48-K133 HydrophobicContact CD2-CG 4.16Å; L48-K133 PolarHBondContact O-NZ 2.82Å; L128-K133 HydrophobicContact CD1-CG 3.94Å; L128-K133 HydrophobicContact CD2-CD 4.39Å; L128-K133 HydrophobicContact CD2-CG 4.16Å; L128-K133 HydrophobicContact CG-CD 4.14Å; L128-K133 HydrophobicContact CG-CG 3.53Å; L128-K133 WeakPolarHBondContact O-CE 3.31Å; D129-K133 WeakPolarHBondContact O-CG 3.09Å; D129-K133 PolarHBondContact O-N 2.8Å; K133-L135 VanDerWaalsContact C-N 3.29Å; K133-L135 PolarHBondContact O-N 3.5Å; K133-L136 PolarHBondContact O-N 2.92Å; K133-I137 WeakPolarHBondContact O-CG1 3.35Å; K133-I137 PolarHBondContact O-N 3.41Å
134	N	90	Very high	90.7	Very high	42 Å²	42	36.5 Å²	36.5	23%	0.225	19%	0.194	C	C	.	.	H	α-helix	trans	-59	-42.2	-178.9	-75.4	-13.8	0	0	0	111.6	G45 K130 A131 S138	G45-N134 VanDerWaalsContact CA-OD1 3.28Å; G45-N134 WeakPolarHBondContact CA-OD1 3.48Å; G45-N134 PolarHBondContact N-OD1 2.88Å; K130-N134 WeakPolarHBondContact O-CB 3.32Å; K130-N134 PolarHBondContact O-N 3.33Å; K130-N134 PolarHBondContact O-ND2 3.03Å; A131-N134 PolarHBondContact O-N 3.45Å; N134-S138 WeakPolarHBondContact O-CB 3.23Å; N134-S138 PolarHBondContact O-N 2.85Å; N134-S138 PolarHBondContact O-OG 3.34Å
135	L	91.9	Very high	90.3	Very high	11 Å²	11	32.6 Å²	32.6	6%	0.058	17%	0.174	C	C	.	.	H	α-helix	trans	-73.7	-36.2	179	-169.4	61.7	0	0	0	112.1	F116 Y120 L122 A131 T132 K133 I137 S138 Y347	F116-L135 HydrophobicContact CE1-CB 4.28Å; F116-L135 HydrophobicContact CE1-CD2 4.09Å; F116-L135 HydrophobicContact CE1-CG 4.29Å; F116-L135 HydrophobicContact CZ-CB 4.23Å; F116-L135 HydrophobicContact CZ-CD2 4.03Å; F116-L135 HydrophobicContact CZ-CG 3.93Å; Y120-L135 VanDerWaalsContact CB-CD2 3.5Å; Y120-L135 HydrophobicContact CD1-CD2 4.37Å; Y120-L135 HydrophobicContact CD2-CD2 4.11Å; Y120-L135 HydrophobicContact CG-CD2 3.74Å; L122-L135 HydrophobicContact CD1-CB 4.45Å; L122-L135 HydrophobicContact CD1-CD2 3.84Å; L122-L135 HydrophobicContact CD2-CD2 4.31Å; L122-L135 HydrophobicContact CG-CD2 4.19Å; A131-L135 WeakPolarHBondContact O-CB 3.17Å; A131-L135 PolarHBondContact O-N 2.91Å; T132-L135 PolarHBondContact O-N 3.25Å; K133-L135 VanDerWaalsContact C-N 3.29Å; K133-L135 PolarHBondContact O-N 3.5Å; L135-I137 VanDerWaalsContact C-N 3.3Å; L135-I137 PolarHBondContact O-N 2.72Å; L135-S138 WeakPolarHBondContact O-CB 3.48Å; L135-S138 PolarHBondContact O-N 3.43Å; L135-Y347 HydrophobicContact CD1-CD1 4.18Å; L135-Y347 HydrophobicContact CD1-CD2 4.15Å; L135-Y347 HydrophobicContact CD1-CE1 3.77Å; L135-Y347 HydrophobicContact CD1-CE2 3.68Å; L135-Y347 HydrophobicContact CD1-CG 4.38Å; L135-Y347 HydrophobicContact CD2-CE2 4.41Å; L135-Y347 HydrophobicContact CG-CE1 4.24Å; L135-Y347 HydrophobicContact CG-CE2 3.99Å; L135-Y347 WeakPolarHBondContact CG-OH 3.4Å; L135-Y347 WeakPolarHBondContact O-CE1 3.27Å; L135-Y347 VanDerWaalsContact O-CZ 3.26Å; L135-Y347 PolarHBondContact O-OH 2.89Å
136	L	90.8	Very high	89	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.5	-33	-178.4	-169	61.5	0	0	0	112.8	L48 A53 L56 L57 Y60 F116 L128 T132 K133	L48-L136 HydrophobicContact CD2-CB 4.47Å; L48-L136 HydrophobicContact CD2-CD2 4.03Å; A53-L136 HydrophobicContact CB-CD2 3.89Å; L56-L136 HydrophobicContact CB-CD1 3.96Å; L56-L136 HydrophobicContact CB-CD2 4.18Å; L56-L136 HydrophobicContact CB-CG 3.89Å; L56-L136 HydrophobicContact CD1-CD2 4.32Å; L56-L136 HydrophobicContact CD1-CG 3.87Å; L57-L136 HydrophobicContact CD2-CD1 4.23Å; L57-L136 HydrophobicContact CG-CD1 4.48Å; L57-L136 HydrophobicContact CG-CD2 4.3Å; Y60-L136 HydrophobicContact CD2-CD1 3.91Å; Y60-L136 HydrophobicContact CE2-CD1 4Å; F116-L136 HydrophobicContact CD2-CD1 4.18Å; F116-L136 HydrophobicContact CE2-CD1 3.81Å; F116-L136 HydrophobicContact CZ-CB 4.27Å; F116-L136 HydrophobicContact CZ-CD1 4Å; L128-L136 HydrophobicContact CD1-CD2 4.26Å; T132-L136 VanDerWaalsContact O-CB 3.24Å; T132-L136 WeakPolarHBondContact O-CB 3.42Å; T132-L136 PolarHBondContact O-N 3.01Å; K133-L136 PolarHBondContact O-N 2.92Å
137	I	89.9	Confident	87.2	Confident	37 Å²	37	36.6 Å²	36.6	19%	0.19	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	1.1	177.5	70.3	-167.7	0	0	0	113.5	F44 L48 L56 K133 L135	F44-I137 HydrophobicContact CB-CD1 3.53Å; F44-I137 HydrophobicContact CB-CG1 4.44Å; L48-I137 HydrophobicContact CB-CG2 4.43Å; L48-I137 HydrophobicContact CD1-CG2 3.68Å; L48-I137 HydrophobicContact CD2-CG2 3.8Å; L48-I137 HydrophobicContact CG-CG2 4.17Å; L56-I137 HydrophobicContact CD1-CG2 3.96Å; K133-I137 WeakPolarHBondContact O-CG1 3.35Å; K133-I137 PolarHBondContact O-N 3.41Å; L135-I137 VanDerWaalsContact C-N 3.3Å; L135-I137 PolarHBondContact O-N 2.72Å
138	S	90.7	Very high	85	Confident	14 Å²	14	33.1 Å²	33.1	10%	0.098	18%	0.184	C	C	.	.	S	Bend	trans	-66.7	140.1	-179.2	-79.4	0	0	0	0	110.2	N134 L135 R140	N134-S138 WeakPolarHBondContact O-CB 3.23Å; N134-S138 PolarHBondContact O-N 2.85Å; N134-S138 PolarHBondContact O-OG 3.34Å; L135-S138 WeakPolarHBondContact O-CB 3.48Å; L135-S138 PolarHBondContact O-N 3.43Å; S138-R140 WeakPolarHBondContact O-CG 3.29Å; S138-R140 PolarHBondContact O-N 2.86Å
139	P	92.3	Very high	82.5	Confident	32 Å²	32	39.5 Å²	39.5	21%	0.208	21%	0.211	C	C	.	.	S	Bend	trans	-47.9	125.6	177.1	-33	38.5	0	0	0	113.1	G281 L283 Y348	P139-G281 CarbonylContact C-O 3.52Å; P139-G281 VanDerWaalsContact CA-O 3.22Å; P139-G281 WeakPolarHBondContact CA-O 3.31Å; P139-L283 HydrophobicContact CB-CD1 4.01Å; P139-L283 HydrophobicContact CB-CD2 4.07Å; P139-L283 HydrophobicContact CB-CG 4.13Å; P139-Y348 HydrophobicContact CB-CD1 4.3Å; P139-Y348 WeakPolarHBondContact O-CB 3.42Å; P139-Y348 PolarHBondContact O-N 3.21Å
140	R	93.4	Very high	79.7	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.008	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	171.1	-173.7	60.4	-179.9	-74.3	162.4	3.9	113.3	Y60 Y120 S138 D145 G281 V282 L283 P346 Y347	Y60-R140 HydrophobicContact CE1-CG 4.19Å; Y60-R140 WeakPolarHBondContact OH-CD 3.43Å; Y60-R140 WeakPolarHBondContact OH-CG 3.25Å; Y120-R140 PolarHBondContact OH-NH1 2.99Å; Y120-R140 VanDerWaalsContact OH-NH1 3.09Å; Y120-R140 PolarHBondContact OH-NH2 2.87Å; S138-R140 WeakPolarHBondContact O-CG 3.29Å; S138-R140 PolarHBondContact O-N 2.86Å; R140-D145 IonicContact CZ-OD1 3.96Å; R140-D145 IonicContact CZ-OD2 3.62Å; R140-D145 IonicContact NH1-OD2 2.81Å; R140-D145 PolarHBondContact NH1-OD2 3.25Å; R140-D145 IonicContact NH2-OD1 3.57Å; R140-D145 PolarHBondContact NH2-OD1 2.87Å; R140-D145 IonicContact NH2-OD2 2.65Å; R140-D145 PolarHBondContact NH2-OD2 3.22Å; R140-G281 PolarHBondContact N-O 3.32Å; R140-V282 WeakPolarHBondContact O-CA 3.2Å; R140-L283 PolarHBondContact O-N 3.31Å; R140-P346 CarbonylContact C-O 3.52Å; R140-P346 VanDerWaalsContact CA-O 3.26Å; R140-P346 WeakPolarHBondContact CA-O 3.11Å; R140-P346 WeakPolarHBondContact CB-O 3.46Å; R140-Y347 HydrophobicContact CB-CD1 3.74Å; R140-Y347 HydrophobicContact CB-CE1 3.98Å; R140-Y347 HydrophobicContact CB-CG 4.35Å; R140-Y347 HydrophobicContact CG-CD1 4.47Å; R140-Y347 HydrophobicContact CG-CE1 4.23Å; R140-Y347 VanDerWaalsContact NH1-CZ 3.28Å; R140-Y347 PolarHBondContact NH1-OH 2.74Å
141	C	93.3	Very high	76.7	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.034	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	144.9	166.8	-177.5	0	0	0	0	111.1	N143 H326 E327 P346	C141-N143 VanDerWaalsContact C-N 3.34Å; C141-N143 PolarHBondContact SG-N 3.49Å; C141-N143 VanDerWaalsContact SG-N 3.38Å; C141-H326 WeakPolarHBondContact CB-NE2 3.26Å; C141-E327 PolarHBondContact SG-OE1 3.09Å; C141-E327 PolarHBondContact SG-OE2 2.71Å; C141-E327 VanDerWaalsContact SG-OE2 3.4Å; C141-P346 PolarHBondContact N-O 3.43Å
142	G	89.3	Confident	73.7	Confident	2 Å²	2	51.6 Å²	51.6	2%	0.021	27%	0.266	C	S	.	.	S	Bend	trans	-80.5	-10.7	178.5	0	0	0	0	0	114.5	V282 A284	G142-V282 VanDerWaalsContact CA-CG1 3.42Å; G142-A284 PolarHBondContact N-O 3.41Å
143	N	87.8	Confident	70.5	Confident	5 Å²	5	56.1 Å²	56.1	3%	0.027	30%	0.298	C	S	.	.	S	Bend	trans	-65	144.8	176.2	-78.1	5.1	0	0	0	111.2	C141 H285 A286 H330 H336	C141-N143 VanDerWaalsContact C-N 3.34Å; C141-N143 PolarHBondContact SG-N 3.49Å; C141-N143 VanDerWaalsContact SG-N 3.38Å; N143-H285 WeakPolarHBondContact OD1-CB 3.15Å; N143-A286 PolarHBondContact ND2-O 3.04Å; N143-A286 PolarHBondContact OD1-N 3.05Å; N143-A286 PolarHBondContact OD1-O 3.19Å; N143-H330 PolarHBondContact ND2-CD2 3.43Å; N143-H330 PolarHBondContact ND2-NE2 3.42Å; N143-H336 PolarHBondContact O-CE1 3.43Å
144	P	85	Confident	67.4	Low	45 Å²	45	58.8 Å²	58.8	29%	0.292	32%	0.322	S	S	.	.			trans	-72.1	140.8	-179.4	30.2	-35.2	0	0	0	111.3	Q146 I148	P144-Q146 VanDerWaalsContact C-N 3.27Å; P144-Q146 WeakPolarHBondContact CB-O 3.25Å; P144-Q146 PolarHBondContact O-N 3.38Å; P144-I148 HydrophobicContact CB-CG1 4.38Å
145	D	84.6	Confident	64.5	Low	22 Å²	22	60 Å²	60	12%	0.118	33%	0.331	C	S	.	.	S	Bend	trans	-71.5	-27.2	177.4	-66.7	-37.7	0	0	0	112.5	Y60 Y62 Y120 R140 H336	Y60-D145 PolarHBondContact O-N 3.25Å; Y62-D145 HydrophobicContact CE2-CB 4.2Å; Y62-D145 VanDerWaalsContact CE2-OD2 3.31Å; Y62-D145 WeakPolarHBondContact CE2-OD2 3.39Å; Y62-D145 WeakPolarHBondContact OH-CB 3.32Å; Y62-D145 PolarHBondContact OH-OD2 2.76Å; Y120-D145 VanDerWaalsContact OH-CG 3.27Å; Y120-D145 PolarHBondContact OH-OD1 3.07Å; Y120-D145 PolarHBondContact OH-OD2 2.96Å; R140-D145 IonicContact CZ-OD1 3.96Å; R140-D145 IonicContact CZ-OD2 3.62Å; R140-D145 IonicContact NH1-OD2 2.81Å; R140-D145 PolarHBondContact NH1-OD2 3.25Å; R140-D145 IonicContact NH2-OD1 3.57Å; R140-D145 PolarHBondContact NH2-OD1 2.87Å; R140-D145 IonicContact NH2-OD2 2.65Å; R140-D145 PolarHBondContact NH2-OD2 3.22Å; D145-H336 IonicContact OD1-CE1 3.87Å; D145-H336 PolarHBondContact OD1-CE1 3.35Å; D145-H336 IonicContact OD1-ND1 3.94Å; D145-H336 PolarHBondContact OD1-ND1 2.98Å
146	Q	65.1	Low	61.5	Low	55 Å²	55	65.8 Å²	65.8	26%	0.257	36%	0.361	S	S	.	.	S	Bend	trans	-124.8	139.4	-179.9	-62.6	-66.7	-47.5	0	0	108.4	P144 I148	P144-Q146 VanDerWaalsContact C-N 3.27Å; P144-Q146 WeakPolarHBondContact CB-O 3.25Å; P144-Q146 PolarHBondContact O-N 3.38Å; Q146-I148 PolarHBondContact O-N 2.63Å; Q146-I148 VanDerWaalsContact O-N 3.08Å
147	P	53	Low	58.4	Low	85 Å²	85	72 Å²	72	55%	0.552	39%	0.394	S	S	*	.			trans	-58.2	121.3	174	22.3	-30.5	0	0	0	109.5	K149	P147-K149 PolarHBondContact O-N 3.41Å; P147-K149 VanDerWaalsContact O-N 3.14Å
148	I	44.7	Very low	55.3	Low	76 Å²	76	73.7 Å²	73.7	39%	0.39	41%	0.409	S	S	.	.			trans	-58.2	120.6	174.2	-60.4	172.8	0	0	0	106.8	P144 Q146 S150	P144-I148 HydrophobicContact CB-CG1 4.38Å; Q146-I148 PolarHBondContact O-N 2.63Å; Q146-I148 VanDerWaalsContact O-N 3.08Å; I148-S150 PolarHBondContact O-N 2.97Å
149	K	34.2	Very low	52.2	Low	165 Å²	165	81.3 Å²	81.3	72%	0.717	44%	0.44	S	S	*	.			trans	-71.7	80.8	173.5	-68.8	-177.8	-177.2	177.3	0	108.3	P147 K151	P147-K149 PolarHBondContact O-N 3.41Å; P147-K149 VanDerWaalsContact O-N 3.14Å; K149-K151 PolarHBondContact O-N 3.27Å
150	S	32.3	Very low	48.9	Very low	89 Å²	89	84.9 Å²	84.9	62%	0.622	46%	0.457	S	S	*	.			trans	-66.3	89.7	163.9	60.1	0	0	0	0	107.8	I148 Q152	I148-S150 PolarHBondContact O-N 2.97Å; S150-Q152 PolarHBondContact O-N 2.81Å
151	K	28.6	Very low	45.6	Very low	193 Å²	193	95.6 Å²	95.6	84%	0.839	50%	0.498	S	S	*	.	S	Bend	trans	-68.9	78.1	161.5	-80.5	-175.6	177	177.3	0	107.2	K149	K149-K151 PolarHBondContact O-N 3.27Å
152	Q	26.1	Very low	42.4	Very low	161 Å²	161	104.8 Å²	104.8	75%	0.752	54%	0.537	S	S	*	.	S	Bend	trans	145.8	89.6	160.2	-81.6	169.3	20.8	0	0	110.2	S150	S150-Q152 PolarHBondContact O-N 2.81Å
153	S	27.2	Very low	39.2	Very low	96 Å²	96	107.7 Å²	107.7	67%	0.671	57%	0.567	S	S	*	*	S	Bend	trans	-144.7	-21.4	144.5	-163.3	0	0	0	0	111.5
154	S	26.2	Very low	36.1	Very low	98 Å²	98	115 Å²	115	69%	0.685	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-3.5	177.6	57.4	0	0	0	0	116.5	S158	S154-S158 PolarHBondContact O-OG 3.41Å
155	T	29.1	Very low	33.2	Very low	68 Å²	68	119 Å²	119	42%	0.417	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.4	-11.8	-178.3	57.6	0	0	0	0	116.2	S158 K159	T155-S158 WeakPolarHBondContact CA-OG 3.33Å; T155-K159 VanDerWaalsContact O-CB 3.3Å; T155-K159 WeakPolarHBondContact O-CB 3.48Å; T155-K159 VanDerWaalsContact O-CG 3.27Å; T155-K159 WeakPolarHBondContact O-CG 3.08Å; T155-K159 PolarHBondContact O-N 2.94Å
156	L	27	Very low	30.1	Very low	131 Å²	131	123.9 Å²	123.9	69%	0.686	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-42.3	173	-156.9	74.9	0	0	0	110.3	K159 L160	L156-K159 PolarHBondContact O-N 2.76Å; L156-L160 PolarHBondContact O-N 3.02Å
157	L	26.3	Very low	28	Very low	132 Å²	132	130.4 Å²	130.4	69%	0.691	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-23.2	-179.4	-81.9	-83.8	0	0	0	113
158	S	25.2	Very low	26.4	Very low	72 Å²	72	135.8 Å²	135.8	50%	0.503	71%	0.706	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.9	-11.2	171.1	59.4	0	0	0	0	114.1	S154 T155	S154-S158 PolarHBondContact O-OG 3.41Å; T155-S158 WeakPolarHBondContact CA-OG 3.33Å
159	K	25.4	Very low	25.4	Very low	174 Å²	174	138.4 Å²	138.4	76%	0.757	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-11.7	172.8	-79.2	-175.5	176.4	-174.6	0	114.1	T155 L156 R161	T155-K159 VanDerWaalsContact O-CB 3.3Å; T155-K159 WeakPolarHBondContact O-CB 3.48Å; T155-K159 VanDerWaalsContact O-CG 3.27Å; T155-K159 WeakPolarHBondContact O-CG 3.08Å; T155-K159 PolarHBondContact O-N 2.94Å; L156-K159 PolarHBondContact O-N 2.76Å; K159-R161 PolarHBondContact O-N 3.09Å
160	L	23	Very low	24.9	Very low	107 Å²	107	137.7 Å²	137.7	56%	0.56	72%	0.72	S	S	*	*			trans	-80.3	57.3	165.5	-71.3	162.4	0	0	0	110.1	L156 F162	L156-L160 PolarHBondContact O-N 3.02Å; L160-F162 PolarHBondContact O-N 3.37Å
161	R	24.2	Very low	24.4	Very low	227 Å²	227	140.4 Å²	140.4	86%	0.857	73%	0.727	S	S	*	*			trans	-85.2	96.8	159.9	-80.1	-167.9	-176.7	-179.4	1.2	107.7	K159 G163	K159-R161 PolarHBondContact O-N 3.09Å; R161-G163 PolarHBondContact O-N 3.37Å
162	F	25.9	Very low	24.1	Very low	198 Å²	198	142.2 Å²	142.2	87%	0.868	73%	0.731	S	S	*	*			trans	-48.7	123.8	155.8	-63.6	-88.8	0	0	0	109	L160	L160-F162 PolarHBondContact O-N 3.37Å
163	G	22.2	Very low	23.8	Very low	63 Å²	63	139.8 Å²	139.8	65%	0.649	73%	0.732	S	S	*	*			trans	138.2	86.6	168.6	0	0	0	0	0	115.5	R161	R161-G163 PolarHBondContact O-N 3.37Å
164	N	22.3	Very low	23.5	Very low	157 Å²	157	144 Å²	144	84%	0.84	74%	0.738	S	S	*	*			trans	56.7	134.4	135.4	-66.7	-7.7	0	0	0	122.8
165	T	24.3	Very low	23.3	Very low	130 Å²	130	144.9 Å²	144.9	80%	0.798	74%	0.74	S	S	*	*			trans	79.1	94.7	153.7	53.1	0	0	0	0	119.4
166	T	19.6	Very low	23	Very low	124 Å²	124	147.9 Å²	147.9	76%	0.761	76%	0.758	S	S	*	*			trans	-2.6	124.9	134.1	51.1	0	0	0	0	117.9
167	H	21.1	Very low	22.7	Very low	193 Å²	193	150.1 Å²	150.1	89%	0.894	77%	0.765	S	S	*	*				-157.3	122.2	128.4	-103.7	-77.8	0	0	0	110.7
168	F	18.8	Very low	22.5	Very low	197 Å²	197	151.2 Å²	151.2	86%	0.864	77%	0.771	S	S	*	*			trans	-56.5	135.4	165.5	-114.4	-112.6	0	0	0	111.4
169	N	23.7	Very low	22.5	Very low	132 Å²	132	152 Å²	152	71%	0.706	78%	0.782	S	S	*	*				-171.8	123.5	124.4	-118.7	-23.9	0	0	0	115.3
170	Q	25.6	Very low	22.4	Very low	150 Å²	150	150.9 Å²	150.9	70%	0.701	78%	0.784	S	S	*	*			trans	44.2	117.3	136.7	-70.6	179.9	-0.8	0	0	123
171	N	20.8	Very low	22.6	Very low	145 Å²	145	153 Å²	153	78%	0.775	80%	0.797	S	S	*	*				48.5	95.5	126	-58.9	-9	0	0	0	118.8
172	Y	22.7	Very low	22.7	Very low	231 Å²	231	149.3 Å²	149.3	91%	0.906	79%	0.793	S	S	*	*			trans	-125.6	97.2	147.6	-94.1	-90.5	0	0	0	109.9
173	S	18.7	Very low	22.8	Very low	111 Å²	111	148 Å²	148	78%	0.776	79%	0.79	S	S	*	*			trans	-75.9	118.9	156.9	51.8	0	0	0	0	108.4
174	F	22.1	Very low	23	Very low	184 Å²	184	150.9 Å²	150.9	81%	0.807	79%	0.79	S	S	*	*			trans	-109.1	104.9	171	-158.7	-96.7	0	0	0	109.4	V176	F174-V176 PolarHBondContact O-N 2.98Å
175	T	20.8	Very low	23.3	Very low	117 Å²	117	149.6 Å²	149.6	72%	0.718	78%	0.784	S	S	*	*			trans	-58.7	119	170.9	32.7	0	0	0	0	110.8	Q177	T175-Q177 PolarHBondContact O-N 3.34Å
176	V	23.3	Very low	23.6	Very low	131 Å²	131	149.6 Å²	149.6	79%	0.794	78%	0.778	S	S	*	*			trans	-74.5	102	171.4	-179.3	0	0	0	0	107.9	F174 N178	F174-V176 PolarHBondContact O-N 2.98Å; V176-N178 PolarHBondContact O-N 3.15Å
177	Q	21.7	Very low	24.1	Very low	178 Å²	178	150.7 Å²	150.7	83%	0.832	78%	0.775	S	S	*	*			trans	-69.2	122.4	167.1	-77.4	-175.3	-11.7	0	0	109.2	T175 A179	T175-Q177 PolarHBondContact O-N 3.34Å; Q177-A179 PolarHBondContact O-N 3.21Å
178	N	21.8	Very low	24.5	Very low	154 Å²	154	146.5 Å²	146.5	82%	0.824	76%	0.759	S	S	*	*			trans	-49.6	100	169.2	-93.8	-30.2	0	0	0	110.9	V176 N180	V176-N178 PolarHBondContact O-N 3.15Å; N178-N180 VanDerWaalsContact C-N 3.28Å; N178-N180 PolarHBondContact O-N 3.18Å; N178-N180 VanDerWaalsContact O-N 3.13Å
179	A	25.5	Very low	25.1	Very low	90 Å²	90	143.5 Å²	143.5	74%	0.744	75%	0.748	S	S	*	*			trans	-82.1	80.9	163	0	0	0	0	0	108.7	Q177 N181	Q177-A179 PolarHBondContact O-N 3.21Å; A179-N181 VanDerWaalsContact C-N 3.28Å; A179-N181 PolarHBondContact O-N 3.49Å
180	N	22.6	Very low	25.4	Very low	150 Å²	150	146.9 Å²	146.9	80%	0.802	75%	0.751	S	S	*	*			trans	-64.4	94.4	152.4	-93.3	-14.8	0	0	0	107.2	N178	N178-N180 VanDerWaalsContact C-N 3.28Å; N178-N180 PolarHBondContact O-N 3.18Å; N178-N180 VanDerWaalsContact O-N 3.13Å
181	N	26.8	Very low	25.6	Very low	152 Å²	152	149.6 Å²	149.6	81%	0.813	76%	0.755	S	S	*	*			trans	-132.9	98.1	162.3	-91.7	-28.9	0	0	0	109.3	A179	A179-N181 VanDerWaalsContact C-N 3.28Å; A179-N181 PolarHBondContact O-N 3.49Å
182	N	25.9	Very low	26.1	Very low	148 Å²	148	149.5 Å²	149.5	79%	0.791	75%	0.753	S	S	*	*			trans	-55.4	150.3	160.7	-84.2	-32.1	0	0	0	111.2
183	H	27.9	Very low	26.5	Very low	170 Å²	170	145.5 Å²	145.5	79%	0.787	75%	0.747	S	S	*	*	S	Bend	trans	59.9	88.5	161.1	-66.8	-48.7	0	0	0	117.6
184	N	26.2	Very low	26.9	Very low	125 Å²	125	148.9 Å²	148.9	67%	0.668	75%	0.748	S	S	*	*			trans	179.4	66.1	130.8	-89.2	-27.2	0	0	0	111.6
185	N	29.5	Very low	27.3	Very low	130 Å²	130	149 Å²	149	70%	0.695	74%	0.743	S	S	*	*	H	α-helix	trans	-78.1	-18.1	177	-80.7	-14.9	0	0	0	114.1	Q187	N185-Q187 PolarHBondContact O-N 2.89Å
186	N	30.2	Very low	27.7	Very low	129 Å²	129	150.1 Å²	150.1	69%	0.69	74%	0.74	S	S	*	*	H	α-helix	trans	-77.8	-19.8	-173	-69.1	-1.9	0	0	0	114.6
187	Q	31.3	Very low	27.9	Very low	148 Å²	148	153.6 Å²	153.6	69%	0.692	74%	0.744	S	S	*	*	H	α-helix	trans	-89.1	-27	-179.6	-71.7	-167	-7.3	0	0	113.5	N185	N185-Q187 PolarHBondContact O-N 2.89Å
188	N	29.1	Very low	28.6	Very low	105 Å²	105	150.8 Å²	150.8	56%	0.561	73%	0.726	S	S	*	*	H	α-helix	trans	-76.3	-27.5	176.9	-75.5	-21.8	0	0	0	112.5	R191	N188-R191 PolarHBondContact O-N 2.78Å
189	E	31.7	Very low	29.1	Very low	134 Å²	134	146.3 Å²	146.3	63%	0.626	70%	0.698	S	S	*	*	H	α-helix	trans	-66.2	-36.6	174.8	-72.1	-177.3	166.5	0	0	112.6	R191 L192	E189-R191 VanDerWaalsContact C-N 3.32Å; E189-R191 PolarHBondContact O-N 2.84Å; E189-L192 PolarHBondContact O-N 3.12Å
190	R	28.9	Very low	29.8	Very low	202 Å²	202	145.4 Å²	145.4	76%	0.762	68%	0.68	S	S	*	*	H	α-helix	trans	-69.5	-25.6	178.2	-76.3	-176.1	174	174.3	-1	113.8	L192 L193	R190-L192 VanDerWaalsContact C-N 3.29Å; R190-L193 PolarHBondContact O-N 2.93Å
191	R	29.5	Very low	30.4	Very low	207 Å²	207	139.8 Å²	139.8	78%	0.781	65%	0.65	S	S	*	*	H	α-helix	trans	-77.7	-12.6	176.3	-81.3	-177.5	172.7	168.1	-1.5	113.5	N188 E189	N188-R191 PolarHBondContact O-N 2.78Å; E189-R191 VanDerWaalsContact C-N 3.32Å; E189-R191 PolarHBondContact O-N 2.84Å
192	L	32.7	Very low	30.9	Very low	144 Å²	144	135.4 Å²	135.4	75%	0.754	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-0.5	174.1	-69.6	170.2	0	0	0	113.6	E189 R190 K194	E189-L192 PolarHBondContact O-N 3.12Å; R190-L192 VanDerWaalsContact C-N 3.29Å; L192-K194 PolarHBondContact O-N 2.72Å; L192-K194 VanDerWaalsContact O-N 3.11Å
193	L	31.1	Very low	32.1	Very low	146 Å²	146	132.1 Å²	132.1	76%	0.764	62%	0.623	S	S	*	*			trans	-75.6	17	168.2	-65.5	169.5	0	0	0	113.3	R190 R195	R190-L193 PolarHBondContact O-N 2.93Å; L193-R195 PolarHBondContact O-N 3.12Å
194	K	27.3	Very low	33.2	Very low	183 Å²	183	131.6 Å²	131.6	80%	0.796	62%	0.621	S	S	*	*	S	Bend	trans	-64.3	103.6	161.4	-92.4	-175.6	175.4	180	0	106.9	L192 Q196	L192-K194 PolarHBondContact O-N 2.72Å; L192-K194 VanDerWaalsContact O-N 3.11Å; K194-Q196 PolarHBondContact O-N 3.27Å
195	R	29.2	Very low	34.9	Very low	185 Å²	185	132.4 Å²	132.4	70%	0.698	62%	0.618	S	S	*	*			trans	-24.2	99.7	172.9	-179.2	180	174.2	-175.1	-3	110.8	L193 K197	L193-R195 PolarHBondContact O-N 3.12Å; R195-K197 PolarHBondContact O-N 2.92Å
196	Q	29.7	Very low	37.2	Very low	141 Å²	141	129 Å²	129	66%	0.659	60%	0.599	S	S	*	*			trans	-56.7	137.1	167.8	-87.8	176.8	-35.2	0	0	107.3	K194 R198	K194-Q196 PolarHBondContact O-N 3.27Å; Q196-R198 PolarHBondContact O-N 3.12Å
197	K	27.9	Very low	39.9	Very low	205 Å²	205	126.5 Å²	126.5	89%	0.891	58%	0.582	S	S	*	*			trans	-56	115.9	179	-74.9	-175.5	176.1	-175.5	0	107.6	R195 Y199	R195-K197 PolarHBondContact O-N 2.92Å; K197-Y199 PolarHBondContact O-N 3.07Å; K197-Y199 VanDerWaalsContact O-N 3.15Å
198	R	36	Very low	42.7	Very low	118 Å²	118	120.3 Å²	120.3	45%	0.445	55%	0.552	S	S	.	*			trans	-74.7	1.4	-165.3	-82.1	-168.4	-93.4	142.1	-13.8	114.8	Q196	Q196-R198 PolarHBondContact O-N 3.12Å
199	Y	32.9	Very low	45.6	Very low	61 Å²	61	120.3 Å²	120.3	24%	0.239	56%	0.556	C	S	.	*			trans	-156.8	150.3	-177.2	-48.4	-89.7	0	0	0	110.5	K197 I201 D360	K197-Y199 PolarHBondContact O-N 3.07Å; K197-Y199 VanDerWaalsContact O-N 3.15Å; Y199-I201 VanDerWaalsContact CB-CD1 3.46Å; Y199-I201 VanDerWaalsContact CB-N 3.33Å; Y199-I201 HydrophobicContact CD1-CD1 3.55Å; Y199-I201 HydrophobicContact CD1-CG1 4.15Å; Y199-I201 HydrophobicContact CD2-CD1 3.51Å; Y199-I201 HydrophobicContact CD2-CG1 4.38Å; Y199-I201 HydrophobicContact CE1-CD1 4.16Å; Y199-I201 HydrophobicContact CE2-CD1 4.14Å; Y199-I201 HydrophobicContact CG-CB 4.33Å; Y199-I201 HydrophobicContact CG-CD1 3.19Å; Y199-I201 HydrophobicContact CG-CG1 3.73Å; Y199-I201 PolarHBondContact O-N 2.9Å; Y199-D360 PolarHBondContact OH-OD1 2.92Å; Y199-D360 VanDerWaalsContact OH-OD1 3.05Å; Y199-D360 PolarHBondContact OH-OD2 2.89Å
200	L	39.1	Very low	48.3	Very low	71 Å²	71	118.8 Å²	118.8	37%	0.372	55%	0.547	S	S	.	.			trans	-72.1	19.4	152.7	-78.9	160.9	0	0	0	111.4	G202 M206	L200-G202 PolarHBondContact O-N 3.28Å; L200-M206 HydrophobicContact CD2-SD 4.49Å
201	I	35.5	Very low	51.3	Low	32 Å²	32	113.1 Å²	113.1	16%	0.164	53%	0.528	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	112	168.5	-71.9	165.4	0	0	0	107.4	Y199 Q367 I368	Y199-I201 VanDerWaalsContact CB-CD1 3.46Å; Y199-I201 VanDerWaalsContact CB-N 3.33Å; Y199-I201 HydrophobicContact CD1-CD1 3.55Å; Y199-I201 HydrophobicContact CD1-CG1 4.15Å; Y199-I201 HydrophobicContact CD2-CD1 3.51Å; Y199-I201 HydrophobicContact CD2-CG1 4.38Å; Y199-I201 HydrophobicContact CE1-CD1 4.16Å; Y199-I201 HydrophobicContact CE2-CD1 4.14Å; Y199-I201 HydrophobicContact CG-CB 4.33Å; Y199-I201 HydrophobicContact CG-CD1 3.19Å; Y199-I201 HydrophobicContact CG-CG1 3.73Å; Y199-I201 PolarHBondContact O-N 2.9Å; I201-Q367 HydrophobicContact CG2-CG 4.28Å; I201-I368 HydrophobicContact CG1-CD1 4.46Å; I201-I368 HydrophobicContact CG2-CG1 4.27Å
202	G	38.5	Very low	54.4	Low	59 Å²	59	109.1 Å²	109.1	61%	0.608	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	31.6	163.1	0	0	0	0	0	116.7	L200 E204	L200-G202 PolarHBondContact O-N 3.28Å; G202-E204 PolarHBondContact O-N 3.45Å
203	D	50.2	Low	57.4	Low	79 Å²	79	102.2 Å²	102.2	42%	0.422	48%	0.482	S	S	.	.			trans	-64.1	118.4	136.4	-161.4	-20.9	0	0	0	104.6	K205 M206	D203-K205 PolarHBondContact O-N 3.01Å; D203-K205 WeakPolarHBondContact OD1-CG 3.36Å; D203-K205 PolarHBondContact OD1-N 3.28Å; D203-M206 HydrophobicContact CB-CG 4.48Å; D203-M206 PolarHBondContact O-N 3.44Å
204	E	50.3	Low	60.4	Low	160 Å²	160	96.7 Å²	96.7	75%	0.748	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-14.4	-179.5	-67	-174.1	155.7	0	0	111.9	G202	G202-E204 PolarHBondContact O-N 3.45Å
205	K	62.1	Low	63.6	Low	141 Å²	141	88 Å²	88	61%	0.613	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.8	176	-56.4	-179.1	-179.5	-172.4	0	116.1	D203 P291	D203-K205 PolarHBondContact O-N 3.01Å; D203-K205 WeakPolarHBondContact OD1-CG 3.36Å; D203-K205 PolarHBondContact OD1-N 3.28Å; K205-P291 HydrophobicContact CB-CG 4.47Å; K205-P291 WeakPolarHBondContact O-CD 3.18Å
206	M	79	Confident	66.5	Low	59 Å²	59	79.3 Å²	79.3	29%	0.291	38%	0.384	S	S	.	.	S	Bend	trans	-120.4	43.6	-179	-66.4	-177.9	-178	0	0	112.7	L200 D203 P289	L200-M206 HydrophobicContact CD2-SD 4.49Å; D203-M206 HydrophobicContact CB-CG 4.48Å; D203-M206 PolarHBondContact O-N 3.44Å; M206-P289 VanDerWaalsContact CA-O 3.29Å; M206-P289 WeakPolarHBondContact CA-O 3.22Å
207	K	86.7	Confident	69.1	Low	77 Å²	77	72.7 Å²	72.7	34%	0.335	35%	0.354	S	S	.	.	S	Bend	trans	-142.3	154.4	175.2	70.8	-179.1	-177.5	-175.7	0	110.5	I368 Y369	K207-I368 HydrophobicContact CB-CG2 3.68Å; K207-I368 HydrophobicContact CD-CG2 4.21Å; K207-Y369 WeakPolarHBondContact CA-OH 3.34Å; K207-Y369 HydrophobicContact CB-CE1 3.98Å
208	W	89.9	Confident	71.6	Confident	18 Å²	18	65.7 Å²	65.7	7%	0.068	32%	0.324	C	S	.	.			trans	-67.5	133.1	169.5	-64.7	106.8	0	0	0	111.3	L213 D260 I261 P289 S298 S331 Y369	W208-L213 HydrophobicContact CB-CD1 4.2Å; W208-L213 HydrophobicContact CB-CD2 3.97Å; W208-L213 VanDerWaalsContact CD1-CD1 3.45Å; W208-L213 HydrophobicContact CD2-CD1 4.16Å; W208-L213 HydrophobicContact CD2-CD2 3.57Å; W208-L213 HydrophobicContact CE3-CD2 3.82Å; W208-L213 HydrophobicContact CG-CD1 3.67Å; W208-L213 HydrophobicContact CG-CD2 3.66Å; W208-L213 HydrophobicContact CG-CG 4.31Å; W208-D260 HydrophobicContact CH2-CB 4.1Å; W208-D260 WeakPolarHBondContact CH2-O 3.11Å; W208-D260 HydrophobicContact CZ3-CB 4.28Å; W208-I261 HydrophobicContact CZ2-CD1 4.46Å; W208-I261 HydrophobicContact CZ2-CG1 3.87Å; W208-P289 HydrophobicContact CD2-CB 3.7Å; W208-P289 VanDerWaalsContact CE2-CB 3.47Å; W208-P289 HydrophobicContact CE3-CB 4.29Å; W208-P289 HydrophobicContact CG-CB 3.97Å; W208-P289 HydrophobicContact CH2-CB 4.47Å; W208-P289 HydrophobicContact CZ2-CB 3.91Å; W208-S298 WeakPolarHBondContact CH2-O 3.42Å; W208-S331 PolarHBondContact NE1-O 2.79Å; W208-Y369 HydrophobicContact CB-CE1 4.13Å; W208-Y369 PolarHBondContact N-OH 2.75Å
209	T	88.9	Confident	73.6	Confident	105 Å²	105	60.5 Å²	60.5	64%	0.644	31%	0.306	S	S	*	.	S	Bend	trans	-81.8	-33.4	169.5	53.9	0	0	0	0	111.1
210	K	89.7	Confident	75.9	Confident	101 Å²	101	59 Å²	59	44%	0.439	30%	0.3	S	S	.	.			trans	-70.5	147	174.5	-60.6	-178.8	-171.3	171	0	111	L213 D260	K210-L213 HydrophobicContact CB-CD2 4.08Å; K210-D260 IonicContact NZ-OD1 3.51Å; K210-D260 PolarHBondContact NZ-OD1 3.41Å; K210-D260 IonicContact NZ-OD2 3.67Å
211	K	92	Very high	77.8	Confident	84 Å²	84	56.2 Å²	56.2	37%	0.365	29%	0.286	S	S	.	.	S	Bend	trans	-97.7	-24.9	174.6	-68.3	-55.4	-162.5	170.7	0	113.6	N246 L247 D248 Y369	K211-N246 WeakPolarHBondContact CD-O 3.47Å; K211-N246 PolarHBondContact NZ-O 3.27Å; K211-N246 VanDerWaalsContact NZ-O 3.1Å; K211-L247 HydrophobicContact CD-CD2 3.77Å; K211-L247 CarbonylContact O-C 3.59Å; K211-L247 WeakPolarHBondContact O-CA 3.46Å; K211-D248 PolarHBondContact O-N 2.61Å; K211-Y369 PolarHBondContact NZ-O 3.19Å
212	Q	94.5	Very high	79.6	Confident	122 Å²	122	56.6 Å²	56.6	57%	0.57	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.3	172	-175.8	177.4	-0.8	0	0	107.5	D248 M250	Q212-D248 CarbonylContact C-O 3.55Å; Q212-D248 WeakPolarHBondContact CA-O 3.14Å; Q212-M250 HydrophobicContact CG-CG 4.36Å
213	L	94.9	Very high	81.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.5	-178.8	-62.5	173.5	0	0	0	109	W208 K210 L247 D248 F249 M250 D260 I261 L332	W208-L213 HydrophobicContact CB-CD1 4.2Å; W208-L213 HydrophobicContact CB-CD2 3.97Å; W208-L213 VanDerWaalsContact CD1-CD1 3.45Å; W208-L213 HydrophobicContact CD2-CD1 4.16Å; W208-L213 HydrophobicContact CD2-CD2 3.57Å; W208-L213 HydrophobicContact CE3-CD2 3.82Å; W208-L213 HydrophobicContact CG-CD1 3.67Å; W208-L213 HydrophobicContact CG-CD2 3.66Å; W208-L213 HydrophobicContact CG-CG 4.31Å; K210-L213 HydrophobicContact CB-CD2 4.08Å; L213-L247 HydrophobicContact CD1-CD1 4.06Å; L213-D248 PolarHBondContact N-O 3.27Å; L213-F249 HydrophobicContact CB-CD1 4Å; L213-F249 HydrophobicContact CB-CE1 4.2Å; L213-F249 HydrophobicContact CD1-CD1 4.37Å; L213-F249 HydrophobicContact CD1-CE1 3.71Å; L213-F249 HydrophobicContact CD1-CZ 4.49Å; L213-F249 WeakPolarHBondContact O-CA 3.23Å; L213-M250 PolarHBondContact O-N 2.98Å; L213-D260 WeakPolarHBondContact CA-OD2 3.31Å; L213-D260 HydrophobicContact CD2-CB 4.22Å; L213-I261 HydrophobicContact CD1-CD1 4.48Å; L213-L332 HydrophobicContact CD1-CD2 4.12Å
214	T	94.6	Very high	82.3	Confident	30 Å²	30	57.2 Å²	57.2	18%	0.184	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	144.9	172.7	58	0	0	0	0	111.3	M250 A259 D260 I261	T214-M250 CarbonylContact C-O 3.51Å; T214-M250 WeakPolarHBondContact CA-O 3.48Å; T214-A259 WeakPolarHBondContact OG1-CA 3.04Å; T214-D260 PolarHBondContact N-OD2 3.18Å; T214-D260 CarbonylContact O-C 3.46Å; T214-D260 WeakPolarHBondContact O-CA 3.16Å; T214-D260 WeakPolarHBondContact O-CB 3.45Å; T214-D260 PolarHBondContact O-N 2.66Å; T214-D260 PolarHBondContact OG1-N 2.74Å; T214-D260 PolarHBondContact OG1-OD2 3.31Å; T214-I261 PolarHBondContact O-N 3.46Å
215	W	94.7	Very high	83.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	153.1	175.2	65.3	-89.6	0	0	0	111.9	I217 H231 F234 Q235 F238 M250 E251 E252 I261	W215-I217 HydrophobicContact CE3-CG1 4.36Å; W215-I217 HydrophobicContact CZ3-CD1 3.95Å; W215-I217 HydrophobicContact CZ3-CG1 3.93Å; W215-H231 AromaticContact CH2-NE2 3.78Å; W215-F234 HydrophobicContact CH2-CB 4.4Å; W215-F234 HydrophobicContact CZ3-CB 4.15Å; W215-Q235 HydrophobicContact CZ2-CB 4.43Å; W215-F238 HydrophobicContact CB-CD2 4.44Å; W215-F238 HydrophobicContact CB-CE1 4.1Å; W215-F238 HydrophobicContact CB-CE2 3.57Å; W215-F238 HydrophobicContact CB-CZ 3.35Å; W215-F238 AromaticContact CD1-CD2 3.74Å; W215-F238 AromaticContact CD1-CE2 3.72Å; W215-F238 AromaticContact CD1-CZ 3.97Å; W215-F238 AromaticContact CD2-CD2 3.63Å; W215-F238 HydrophobicContact CD2-CD2 3.63Å; W215-F238 AromaticContact CD2-CE2 3.33Å; W215-F238 HydrophobicContact CD2-CE2 3.33Å; W215-F238 HydrophobicContact CD2-CZ 4.11Å; W215-F238 AromaticContact CE2-CD2 3.64Å; W215-F238 AromaticContact CE2-CE2 3.89Å; W215-F238 HydrophobicContact CE3-CD2 4.25Å; W215-F238 AromaticContact CE3-CE2 3.76Å; W215-F238 HydrophobicContact CE3-CE2 3.76Å; W215-F238 AromaticContact CG-CD2 3.7Å; W215-F238 HydrophobicContact CG-CD2 3.7Å; W215-F238 HydrophobicContact CG-CE1 4.19Å; W215-F238 AromaticContact CG-CE2 3.24Å; W215-F238 HydrophobicContact CG-CE2 3.24Å; W215-F238 HydrophobicContact CG-CG 4.38Å; W215-F238 AromaticContact CG-CZ 3.52Å; W215-F238 HydrophobicContact CG-CZ 3.52Å; W215-F238 HydrophobicContact CZ2-CD2 4.27Å; W215-F238 AromaticContact NE1-CD2 3.69Å; W215-M250 VanDerWaalsContact CD1-O 3.26Å; W215-M250 PolarHBondContact N-O 3.05Å; W215-E251 HydrophobicContact CD2-CB 4.41Å; W215-E251 HydrophobicContact CH2-CB 4.17Å; W215-E251 HydrophobicContact CH2-CG 3.98Å; W215-E251 HydrophobicContact CZ2-CB 3.69Å; W215-E251 HydrophobicContact CZ2-CG 4.03Å; W215-E251 HydrophobicContact CZ3-CG 4.22Å; W215-E251 WeakPolarHBondContact O-CA 3.4Å; W215-E252 PolarHBondContact O-N 3.07Å; W215-I261 CarbonylContact C-O 3.58Å; W215-I261 WeakPolarHBondContact CA-O 3.46Å; W215-I261 HydrophobicContact CB-CB 4.2Å
216	Q	88.4	Confident	84.5	Confident	3 Å²	3	46.4 Å²	46.4	1%	0.014	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	141.4	178.9	-176.8	175.3	81.1	0	0	111.4	E252 D254 Y255 A259 I261 I263	Q216-E252 PolarHBondContact NE2-O 3.05Å; Q216-D254 PolarHBondContact NE2-O 2.87Å; Q216-Y255 HydrophobicContact CG-CD1 4.02Å; Q216-Y255 HydrophobicContact CG-CE1 3.92Å; Q216-A259 HydrophobicContact CB-CB 3.67Å; Q216-I261 PolarHBondContact N-O 3.2Å; Q216-I263 PolarHBondContact O-N 3.28Å
217	I	86.3	Confident	84.6	Confident	2 Å²	2	46 Å²	46	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117.4	172.6	-58	165.9	0	0	0	108.8	W215 S219 Y220 H231 F234 I263	W215-I217 HydrophobicContact CE3-CG1 4.36Å; W215-I217 HydrophobicContact CZ3-CD1 3.95Å; W215-I217 HydrophobicContact CZ3-CG1 3.93Å; I217-S219 WeakPolarHBondContact CG2-O 3.47Å; I217-Y220 HydrophobicContact CB-CE1 4.23Å; I217-Y220 HydrophobicContact CB-CE2 4.37Å; I217-Y220 HydrophobicContact CD1-CE1 3.95Å; I217-Y220 HydrophobicContact CG2-CD1 3.91Å; I217-Y220 HydrophobicContact CG2-CD2 4.05Å; I217-Y220 HydrophobicContact CG2-CE1 3.68Å; I217-Y220 HydrophobicContact CG2-CE2 3.8Å; I217-Y220 HydrophobicContact CG2-CG 4.1Å; I217-H231 HydrophobicContact CD1-CB 4.39Å; I217-F234 HydrophobicContact CD1-CB 4.16Å; I217-F234 HydrophobicContact CD1-CD2 3.59Å; I217-F234 HydrophobicContact CD1-CE2 4.41Å; I217-F234 HydrophobicContact CD1-CG 4.15Å; I217-F234 HydrophobicContact CG1-CD2 4.09Å; I217-F234 HydrophobicContact CG1-CG 4.46Å; I217-I263 HydrophobicContact CB-CB 4.47Å; I217-I263 HydrophobicContact CG1-CB 4.05Å; I217-I263 HydrophobicContact CG1-CG1 4.43Å; I217-I263 HydrophobicContact CG1-CG2 4.25Å; I217-I263 HydrophobicContact CG2-CG2 4.46Å
218	Q	79.1	Confident	84.2	Confident	57 Å²	57	46.9 Å²	46.9	27%	0.266	25%	0.25	S	S	.	.			trans	-100.5	-17.2	-179.2	-79.4	-173.8	4.4	0	0	114.3	V262 I263 Q264 L420	Q218-V262 HydrophobicContact CB-CG1 3.89Å; Q218-V262 HydrophobicContact CG-CG1 3.59Å; Q218-I263 PolarHBondContact N-O 3.46Å; Q218-Q264 HydrophobicContact CB-CG 3.89Å; Q218-L420 VanDerWaalsContact C-CD2 3.43Å; Q218-L420 VanDerWaalsContact CA-CD2 3.46Å; Q218-L420 HydrophobicContact CB-CD2 4.48Å; Q218-L420 WeakPolarHBondContact O-CD2 3.24Å
219	S	77.3	Confident	84	Confident	10 Å²	10	48 Å²	48	7%	0.07	25%	0.254	C	S	.	.	S	Bend	trans	-145.6	157	168.8	45.6	0	0	0	0	108.8	I217 Q264 F265	I217-S219 WeakPolarHBondContact CG2-O 3.47Å; S219-Q264 VanDerWaalsContact OG-CA 3.26Å; S219-Q264 WeakPolarHBondContact OG-CA 3.32Å; S219-Q264 WeakPolarHBondContact OG-CB 3.39Å; S219-F265 WeakPolarHBondContact O-CD2 3.43Å; S219-F265 PolarHBondContact OG-N 2.93Å; S219-F265 PolarHBondContact OG-O 3.47Å
220	Y	81.4	Confident	84	Confident	30 Å²	30	43 Å²	43	12%	0.118	22%	0.224	C	C	.	.			trans	-125.2	159.1	-175.1	-72.9	-91.7	0	0	0	109.3	I217 S222 R227 A230 L420	I217-Y220 HydrophobicContact CB-CE1 4.23Å; I217-Y220 HydrophobicContact CB-CE2 4.37Å; I217-Y220 HydrophobicContact CD1-CE1 3.95Å; I217-Y220 HydrophobicContact CG2-CD1 3.91Å; I217-Y220 HydrophobicContact CG2-CD2 4.05Å; I217-Y220 HydrophobicContact CG2-CE1 3.68Å; I217-Y220 HydrophobicContact CG2-CE2 3.8Å; I217-Y220 HydrophobicContact CG2-CG 4.1Å; Y220-S222 PolarHBondContact O-N 3.13Å; Y220-R227 HydrophobicContact CD1-CB 3.72Å; Y220-R227 HydrophobicContact CD1-CG 3.65Å; Y220-R227 HydrophobicContact CD2-CG 4Å; Y220-R227 HydrophobicContact CE1-CB 3.79Å; Y220-R227 HydrophobicContact CE1-CG 4.11Å; Y220-R227 HydrophobicContact CE2-CG 4.43Å; Y220-R227 HydrophobicContact CG-CB 4.18Å; Y220-R227 HydrophobicContact CG-CG 3.58Å; Y220-A230 HydrophobicContact CD1-CB 4.07Å; Y220-L420 HydrophobicContact CE2-CD1 4.17Å
221	P	80	Confident	84	Confident	12 Å²	12	39.8 Å²	39.8	8%	0.078	21%	0.21	C	C	.	.			trans	-48.9	130.9	171.6	-24	30.7	0	0	0	110.9	H223 L225 A230 F265 D305 W309	P221-H223 PolarHBondContact O-N 3.38Å; P221-L225 HydrophobicContact CB-CB 4.37Å; P221-L225 HydrophobicContact CG-CB 4.31Å; P221-L225 HydrophobicContact CG-CD2 4.44Å; P221-A230 HydrophobicContact CG-CB 4.38Å; P221-F265 HydrophobicContact CB-CD1 4.34Å; P221-F265 HydrophobicContact CB-CE1 4.41Å; P221-F265 HydrophobicContact CG-CD1 3.81Å; P221-F265 HydrophobicContact CG-CE1 3.5Å; P221-F265 VanDerWaalsContact CG-CE1 3.5Å; P221-F265 HydrophobicContact CG-CE2 4.25Å; P221-F265 HydrophobicContact CG-CG 4.34Å; P221-F265 HydrophobicContact CG-CZ 3.73Å; P221-D305 VanDerWaalsContact CA-OD1 3.29Å; P221-D305 WeakPolarHBondContact CA-OD1 3.1Å; P221-W309 HydrophobicContact CG-CB 4.5Å
222	S	72.1	Confident	84	Confident	39 Å²	39	36.1 Å²	36.1	27%	0.273	20%	0.196	S	C	.	.	S	Bend	trans	-71	-23.1	179.9	52.5	0	0	0	0	113.1	Y220 D305	Y220-S222 PolarHBondContact O-N 3.13Å; S222-D305 WeakPolarHBondContact CB-OD2 3.17Å; S222-D305 PolarHBondContact N-OD1 2.82Å; S222-D305 VanDerWaalsContact OG-CG 3.22Å; S222-D305 PolarHBondContact OG-OD1 3.09Å; S222-D305 PolarHBondContact OG-OD2 3.5Å
223	H	72.8	Confident	83.9	Confident	70 Å²	70	30.5 Å²	30.5	32%	0.324	17%	0.17	S	C	.	.	S	Bend	trans	-147.1	163.4	-174.9	58.3	-81	0	0	0	112.5	P221 L225 D305 E307	P221-H223 PolarHBondContact O-N 3.38Å; H223-L225 PolarHBondContact O-N 3.38Å; H223-D305 PolarHBondContact CE1-O 3.1Å; H223-E307 PolarHBondContact NE2-O 3.11Å
224	S	73.2	Confident	83.9	Confident	82 Å²	82	30.5 Å²	30.5	57%	0.573	17%	0.17	S	C	*	.	S	Bend	trans	66.1	-40.5	173.2	-56.9	0	0	0	0	118.2	I308	S224-I308 VanDerWaalsContact OG-CG2 3.31Å; S224-I308 WeakPolarHBondContact OG-CG2 3.45Å
225	L	81.3	Confident	84	Confident	14 Å²	14	29.6 Å²	29.6	7%	0.073	16%	0.163	C	C	.	.	S	Bend	trans	-112.5	122.1	-179	-168.3	66.3	0	0	0	110.8	P221 H223 R229 A230 W309 D311 L320	P221-L225 HydrophobicContact CB-CB 4.37Å; P221-L225 HydrophobicContact CG-CB 4.31Å; P221-L225 HydrophobicContact CG-CD2 4.44Å; H223-L225 PolarHBondContact O-N 3.38Å; L225-R229 HydrophobicContact CD1-CB 3.58Å; L225-R229 HydrophobicContact CD1-CG 4.4Å; L225-R229 HydrophobicContact CG-CB 4.1Å; L225-A230 HydrophobicContact CD2-CB 4.11Å; L225-A230 HydrophobicContact CG-CB 4.46Å; L225-W309 HydrophobicContact CB-CB 4.24Å; L225-W309 HydrophobicContact CD2-CB 4.29Å; L225-D311 HydrophobicContact CD1-CB 4.18Å; L225-L320 HydrophobicContact CD2-CB 4.3Å; L225-L320 HydrophobicContact CD2-CD2 3.5Å; L225-L320 VanDerWaalsContact CD2-CD2 3.5Å
226	S	78.7	Confident	84	Confident	60 Å²	60	32 Å²	32	42%	0.42	18%	0.175	S	C	.	.			trans	-71.2	154.5	179.8	79.2	0	0	0	0	111.9	V228 R229 A230	S226-V228 VanDerWaalsContact C-N 3.25Å; S226-V228 PolarHBondContact O-N 3.4Å; S226-R229 PolarHBondContact O-N 3.42Å; S226-R229 VanDerWaalsContact OG-CG 3.25Å; S226-R229 WeakPolarHBondContact OG-CG 3.26Å; S226-R229 PolarHBondContact OG-N 3.38Å; S226-A230 PolarHBondContact O-N 3.05Å
227	R	79.2	Confident	84.3	Confident	51 Å²	51	31.9 Å²	31.9	19%	0.192	17%	0.174	C	C	.	.	H	α-helix	trans	-55.1	-39.3	177.9	-63.3	-166.9	170.9	-175.1	-6.6	113.6	Y220 R229 A230 H231 E421	Y220-R227 HydrophobicContact CD1-CB 3.72Å; Y220-R227 HydrophobicContact CD1-CG 3.65Å; Y220-R227 HydrophobicContact CD2-CG 4Å; Y220-R227 HydrophobicContact CE1-CB 3.79Å; Y220-R227 HydrophobicContact CE1-CG 4.11Å; Y220-R227 HydrophobicContact CE2-CG 4.43Å; Y220-R227 HydrophobicContact CG-CB 4.18Å; Y220-R227 HydrophobicContact CG-CG 3.58Å; R227-R229 VanDerWaalsContact C-N 3.32Å; R227-A230 PolarHBondContact O-N 3.25Å; R227-H231 VanDerWaalsContact O-CB 3.25Å; R227-H231 WeakPolarHBondContact O-CB 3.43Å; R227-H231 PolarHBondContact O-N 2.71Å; R227-E421 IonicContact CZ-OE2 3.8Å; R227-E421 IonicContact NH1-OE2 3.19Å; R227-E421 PolarHBondContact NH1-OE2 3.17Å; R227-E421 IonicContact NH2-OE2 3.03Å
228	V	79.4	Confident	84.8	Confident	95 Å²	95	31.9 Å²	31.9	58%	0.576	17%	0.174	S	C	*	.	H	α-helix	trans	-65.1	-40	179.5	-177.8	0	0	0	0	110.3	S226 A232 L384	S226-V228 VanDerWaalsContact C-N 3.25Å; S226-V228 PolarHBondContact O-N 3.4Å; V228-A232 PolarHBondContact O-N 3.09Å; V228-A232 VanDerWaalsContact O-N 3.12Å; V228-L384 HydrophobicContact CG1-CD2 3.68Å
229	R	86.3	Confident	85.6	Confident	40 Å²	40	29.2 Å²	29.2	15%	0.151	16%	0.161	C	C	.	.	H	α-helix	trans	-70	-47	176.3	-61	-73.8	-68.6	-158.3	2.2	111	L225 S226 R227 H231 A232 V233 D311 P385	L225-R229 HydrophobicContact CD1-CB 3.58Å; L225-R229 HydrophobicContact CD1-CG 4.4Å; L225-R229 HydrophobicContact CG-CB 4.1Å; S226-R229 PolarHBondContact O-N 3.42Å; S226-R229 VanDerWaalsContact OG-CG 3.25Å; S226-R229 WeakPolarHBondContact OG-CG 3.26Å; S226-R229 PolarHBondContact OG-N 3.38Å; R227-R229 VanDerWaalsContact C-N 3.32Å; R229-H231 VanDerWaalsContact C-N 3.34Å; R229-H231 PolarHBondContact O-N 3.34Å; R229-A232 PolarHBondContact O-N 2.64Å; R229-V233 WeakPolarHBondContact O-CG2 3.48Å; R229-V233 PolarHBondContact O-N 3.01Å; R229-D311 IonicContact CZ-OD1 2.81Å; R229-D311 IonicContact CZ-OD2 2.76Å; R229-D311 IonicContact NE-OD1 3.81Å; R229-D311 IonicContact NE-OD2 3.17Å; R229-D311 PolarHBondContact NE-OD2 3.06Å; R229-D311 IonicContact NH2-OD1 2.83Å; R229-D311 PolarHBondContact NH2-OD1 3.04Å; R229-D311 IonicContact NH2-OD2 3.94Å; R229-D311 PolarHBondContact NH2-OD2 2.7Å; R229-P385 PolarHBondContact NH1-O 3.11Å; R229-P385 VanDerWaalsContact NH1-O 3.12Å
230	A	89.1	Confident	86.5	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-57.4	-44.7	175.5	0	0	0	0	0	112.1	Y220 P221 L225 S226 R227 A232 V233 F234 L320	Y220-A230 HydrophobicContact CD1-CB 4.07Å; P221-A230 HydrophobicContact CG-CB 4.38Å; L225-A230 HydrophobicContact CD2-CB 4.11Å; L225-A230 HydrophobicContact CG-CB 4.46Å; S226-A230 PolarHBondContact O-N 3.05Å; R227-A230 PolarHBondContact O-N 3.25Å; A230-A232 PolarHBondContact O-N 3.44Å; A230-V233 WeakPolarHBondContact O-CB 3.48Å; A230-V233 PolarHBondContact O-N 3.18Å; A230-F234 WeakPolarHBondContact O-CD2 3.37Å; A230-F234 PolarHBondContact O-N 3.37Å; A230-L320 HydrophobicContact CB-CD2 4.4Å
231	H	88.7	Confident	87.3	Confident	34 Å²	34	28.3 Å²	28.3	16%	0.157	16%	0.158	C	C	.	.	H	α-helix	trans	-58.3	-47.3	175	-179.5	-81.2	0	0	0	112.2	W215 I217 R227 R229 V233 F234 Q235 E251	W215-H231 AromaticContact CH2-NE2 3.78Å; I217-H231 HydrophobicContact CD1-CB 4.39Å; R227-H231 VanDerWaalsContact O-CB 3.25Å; R227-H231 WeakPolarHBondContact O-CB 3.43Å; R227-H231 PolarHBondContact O-N 2.71Å; R229-H231 VanDerWaalsContact C-N 3.34Å; R229-H231 PolarHBondContact O-N 3.34Å; H231-V233 VanDerWaalsContact C-N 3.29Å; H231-V233 PolarHBondContact O-N 3.34Å; H231-F234 PolarHBondContact O-N 2.78Å; H231-Q235 PolarHBondContact O-N 2.96Å; H231-E251 IonicContact CD2-OE1 3.11Å; H231-E251 PolarHBondContact CD2-OE1 3.01Å; H231-E251 IonicContact CE1-OE1 3.44Å; H231-E251 IonicContact CE1-OE2 2.74Å; H231-E251 IonicContact NE2-OE1 3.06Å; H231-E251 PolarHBondContact NE2-OE1 3.01Å; H231-E251 IonicContact NE2-OE2 2.79Å; H231-E251 PolarHBondContact NE2-OE2 3.38Å
232	A	91.6	Very high	88.1	Confident	7 Å²	7	27.8 Å²	27.8	6%	0.058	15%	0.154	C	C	.	.	H	α-helix	trans	-61.9	-36.4	176.6	0	0	0	0	0	112.5	V228 R229 A230 Q235 H236 P382 L384	V228-A232 PolarHBondContact O-N 3.09Å; V228-A232 VanDerWaalsContact O-N 3.12Å; R229-A232 PolarHBondContact O-N 2.64Å; A230-A232 PolarHBondContact O-N 3.44Å; A232-Q235 PolarHBondContact O-N 3.41Å; A232-H236 WeakPolarHBondContact O-CB 3.48Å; A232-H236 PolarHBondContact O-N 3.26Å; A232-P382 HydrophobicContact CB-CB 4.19Å; A232-P382 HydrophobicContact CB-CG 3.98Å; A232-L384 HydrophobicContact CB-CD1 3.32Å; A232-L384 HydrophobicContact CB-CD2 4.11Å; A232-L384 HydrophobicContact CB-CG 3.84Å
233	V	93.1	Very high	89.2	Confident	4 Å²	4	31.7 Å²	31.7	2%	0.024	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-47.2	173.6	169.6	0	0	0	0	111.3	R229 A230 H231 H236 T237 D311 L320 I321 A324	R229-V233 WeakPolarHBondContact O-CG2 3.48Å; R229-V233 PolarHBondContact O-N 3.01Å; A230-V233 WeakPolarHBondContact O-CB 3.48Å; A230-V233 PolarHBondContact O-N 3.18Å; H231-V233 VanDerWaalsContact C-N 3.29Å; H231-V233 PolarHBondContact O-N 3.34Å; V233-H236 PolarHBondContact O-N 3.2Å; V233-T237 HydrophobicContact CG1-CG2 4.44Å; V233-T237 WeakPolarHBondContact O-CB 3.4Å; V233-T237 WeakPolarHBondContact O-CG2 3.46Å; V233-T237 PolarHBondContact O-N 3.15Å; V233-T237 PolarHBondContact O-OG1 2.74Å; V233-D311 HydrophobicContact CG2-CB 3.46Å; V233-D311 VanDerWaalsContact CG2-CB 3.46Å; V233-L320 HydrophobicContact CB-CD2 4.33Å; V233-L320 HydrophobicContact CG1-CB 4.18Å; V233-L320 HydrophobicContact CG1-CD2 4.03Å; V233-L320 HydrophobicContact CG1-CG 3.8Å; V233-I321 HydrophobicContact CB-CG1 4.36Å; V233-I321 HydrophobicContact CG1-CB 4.33Å; V233-I321 HydrophobicContact CG1-CG1 3.79Å; V233-I321 HydrophobicContact CG2-CG1 3.83Å; V233-A324 HydrophobicContact CG1-CB 4.49Å
234	F	95.8	Very high	90.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.4	-43.4	177.8	-75.5	-70.9	0	0	0	111.9	W215 I217 A230 H231 H236 T237 F238 I263 F265 F303 L320 A324	W215-F234 HydrophobicContact CH2-CB 4.4Å; W215-F234 HydrophobicContact CZ3-CB 4.15Å; I217-F234 HydrophobicContact CD1-CB 4.16Å; I217-F234 HydrophobicContact CD1-CD2 3.59Å; I217-F234 HydrophobicContact CD1-CE2 4.41Å; I217-F234 HydrophobicContact CD1-CG 4.15Å; I217-F234 HydrophobicContact CG1-CD2 4.09Å; I217-F234 HydrophobicContact CG1-CG 4.46Å; A230-F234 WeakPolarHBondContact O-CD2 3.37Å; A230-F234 PolarHBondContact O-N 3.37Å; H231-F234 PolarHBondContact O-N 2.78Å; F234-H236 VanDerWaalsContact C-N 3.3Å; F234-H236 PolarHBondContact O-N 2.8Å; F234-T237 WeakPolarHBondContact CA-OG1 3.29Å; F234-T237 PolarHBondContact O-N 2.93Å; F234-T237 PolarHBondContact O-OG1 2.87Å; F234-T237 VanDerWaalsContact O-OG1 3.04Å; F234-F238 WeakPolarHBondContact O-CD2 3.48Å; F234-F238 PolarHBondContact O-N 3.01Å; F234-I263 HydrophobicContact CD1-CD1 4.21Å; F234-I263 HydrophobicContact CD1-CG1 4.05Å; F234-I263 HydrophobicContact CD1-CG2 4.17Å; F234-I263 HydrophobicContact CD2-CG2 4.23Å; F234-I263 HydrophobicContact CE1-CB 4.45Å; F234-I263 HydrophobicContact CE1-CD1 4.01Å; F234-I263 HydrophobicContact CE1-CG1 4.08Å; F234-I263 HydrophobicContact CE1-CG2 3.55Å; F234-I263 HydrophobicContact CE2-CG2 3.65Å; F234-I263 HydrophobicContact CG-CG2 4.49Å; F234-I263 HydrophobicContact CZ-CG2 3.28Å; F234-F265 AromaticContact CE2-CE2 3.78Å; F234-F265 HydrophobicContact CE2-CE2 3.78Å; F234-F265 AromaticContact CE2-CZ 3.83Å; F234-F265 HydrophobicContact CE2-CZ 3.83Å; F234-F265 HydrophobicContact CZ-CE2 4.04Å; F234-F265 AromaticContact CZ-CZ 3.96Å; F234-F265 HydrophobicContact CZ-CZ 3.96Å; F234-F303 HydrophobicContact CE1-CE1 4.48Å; F234-F303 AromaticContact CE1-CE2 3.68Å; F234-F303 HydrophobicContact CE1-CE2 3.68Å; F234-F303 AromaticContact CE1-CZ 3.61Å; F234-F303 HydrophobicContact CE1-CZ 3.61Å; F234-F303 HydrophobicContact CZ-CD2 4.08Å; F234-F303 HydrophobicContact CZ-CE1 4.35Å; F234-F303 AromaticContact CZ-CE2 3.6Å; F234-F303 HydrophobicContact CZ-CE2 3.6Å; F234-F303 AromaticContact CZ-CZ 3.75Å; F234-F303 HydrophobicContact CZ-CZ 3.75Å; F234-L320 HydrophobicContact CE2-CD2 4.14Å; F234-L320 HydrophobicContact CZ-CD1 4.36Å; F234-A324 HydrophobicContact CD1-CB 4.16Å; F234-A324 HydrophobicContact CE1-CB 3.67Å; F234-A324 HydrophobicContact CZ-CB 4.24Å
235	Q	95.7	Very high	91.5	Very high	11 Å²	11	25.7 Å²	25.7	5%	0.051	13%	0.128	C	C	.	.	H	α-helix	trans	-57.6	-43.6	173.7	-177	61	74.8	0	0	111.8	W215 H231 A232 N239 E381	W215-Q235 HydrophobicContact CZ2-CB 4.43Å; H231-Q235 PolarHBondContact O-N 2.96Å; A232-Q235 PolarHBondContact O-N 3.41Å; Q235-N239 PolarHBondContact NE2-OD1 3.32Å; Q235-N239 VanDerWaalsContact NE2-OD1 3.09Å; Q235-N239 WeakPolarHBondContact O-CB 3.34Å; Q235-N239 PolarHBondContact O-N 2.84Å; Q235-N239 PolarHBondContact O-ND2 3.41Å; Q235-N239 PolarHBondContact O-OD1 3.47Å; Q235-E381 HydrophobicContact CG-CG 4.42Å
236	H	93.9	Very high	92.2	Very high	51 Å²	51	26.5 Å²	26.5	24%	0.236	13%	0.132	C	C	.	.	H	α-helix	trans	-63.5	-44.1	177.1	178.7	83.2	0	0	0	112.4	A232 V233 F234 N239 L240 E381	A232-H236 WeakPolarHBondContact O-CB 3.48Å; A232-H236 PolarHBondContact O-N 3.26Å; V233-H236 PolarHBondContact O-N 3.2Å; F234-H236 VanDerWaalsContact C-N 3.3Å; F234-H236 PolarHBondContact O-N 2.8Å; H236-N239 WeakPolarHBondContact O-CB 3.33Å; H236-N239 PolarHBondContact O-N 2.91Å; H236-L240 PolarHBondContact O-N 3.01Å; H236-E381 IonicContact CE1-OE2 2.89Å; H236-E381 IonicContact CG-OE2 3.49Å; H236-E381 VanDerWaalsContact ND1-CD 3.3Å; H236-E381 IonicContact ND1-OE1 3.97Å; H236-E381 PolarHBondContact ND1-OE1 3.19Å; H236-E381 IonicContact ND1-OE2 2.78Å; H236-E381 PolarHBondContact ND1-OE2 3.03Å
237	T	95.3	Very high	93.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-73.2	-36.4	-178.4	50.4	0	0	0	0	112.8	V233 F234 N239 L240 W241 I321 A324 A325 L328	V233-T237 HydrophobicContact CG1-CG2 4.44Å; V233-T237 WeakPolarHBondContact O-CB 3.4Å; V233-T237 WeakPolarHBondContact O-CG2 3.46Å; V233-T237 PolarHBondContact O-N 3.15Å; V233-T237 PolarHBondContact O-OG1 2.74Å; F234-T237 WeakPolarHBondContact CA-OG1 3.29Å; F234-T237 PolarHBondContact O-N 2.93Å; F234-T237 PolarHBondContact O-OG1 2.87Å; F234-T237 VanDerWaalsContact O-OG1 3.04Å; T237-N239 VanDerWaalsContact C-N 3.32Å; T237-N239 PolarHBondContact O-N 3.19Å; T237-L240 WeakPolarHBondContact O-CB 3.24Å; T237-L240 PolarHBondContact O-N 3.5Å; T237-W241 PolarHBondContact O-N 3.21Å; T237-I321 HydrophobicContact CG2-CG2 3.9Å; T237-I321 WeakPolarHBondContact CG2-O 3.35Å; T237-A324 HydrophobicContact CG2-CB 4.08Å; T237-A325 HydrophobicContact CG2-CB 4.12Å; T237-L328 WeakPolarHBondContact OG1-CD1 3.19Å
238	F	97.6	Very high	93.9	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.009	12%	0.116	C	C	.	.	H	α-helix	trans	-60.5	-42.4	166.9	-82.1	-65.7	0	0	0	111.5	W215 F234 L240 W241 S242 F249 I261 L328	W215-F238 HydrophobicContact CB-CD2 4.44Å; W215-F238 HydrophobicContact CB-CE1 4.1Å; W215-F238 HydrophobicContact CB-CE2 3.57Å; W215-F238 HydrophobicContact CB-CZ 3.35Å; W215-F238 AromaticContact CD1-CD2 3.74Å; W215-F238 AromaticContact CD1-CE2 3.72Å; W215-F238 AromaticContact CD1-CZ 3.97Å; W215-F238 AromaticContact CD2-CD2 3.63Å; W215-F238 HydrophobicContact CD2-CD2 3.63Å; W215-F238 AromaticContact CD2-CE2 3.33Å; W215-F238 HydrophobicContact CD2-CE2 3.33Å; W215-F238 HydrophobicContact CD2-CZ 4.11Å; W215-F238 AromaticContact CE2-CD2 3.64Å; W215-F238 AromaticContact CE2-CE2 3.89Å; W215-F238 HydrophobicContact CE3-CD2 4.25Å; W215-F238 AromaticContact CE3-CE2 3.76Å; W215-F238 HydrophobicContact CE3-CE2 3.76Å; W215-F238 AromaticContact CG-CD2 3.7Å; W215-F238 HydrophobicContact CG-CD2 3.7Å; W215-F238 HydrophobicContact CG-CE1 4.19Å; W215-F238 AromaticContact CG-CE2 3.24Å; W215-F238 HydrophobicContact CG-CE2 3.24Å; W215-F238 HydrophobicContact CG-CG 4.38Å; W215-F238 AromaticContact CG-CZ 3.52Å; W215-F238 HydrophobicContact CG-CZ 3.52Å; W215-F238 HydrophobicContact CZ2-CD2 4.27Å; W215-F238 AromaticContact NE1-CD2 3.69Å; F234-F238 WeakPolarHBondContact O-CD2 3.48Å; F234-F238 PolarHBondContact O-N 3.01Å; F238-L240 VanDerWaalsContact C-N 3.33Å; F238-L240 PolarHBondContact O-N 2.86Å; F238-W241 PolarHBondContact O-N 3.49Å; F238-S242 VanDerWaalsContact O-CB 3.24Å; F238-S242 WeakPolarHBondContact O-CB 3.26Å; F238-S242 PolarHBondContact O-N 3.46Å; F238-F249 HydrophobicContact CB-CB 4.08Å; F238-F249 HydrophobicContact CB-CG 4.29Å; F238-F249 HydrophobicContact CD1-CB 3.89Å; F238-F249 AromaticContact CD1-CD1 3.46Å; F238-F249 HydrophobicContact CD1-CD1 3.46Å; F238-F249 VanDerWaalsContact CD1-CD1 3.46Å; F238-F249 HydrophobicContact CD1-CD2 4.23Å; F238-F249 HydrophobicContact CD1-CE1 4Å; F238-F249 AromaticContact CD1-CG 3.59Å; F238-F249 HydrophobicContact CD1-CG 3.59Å; F238-F249 AromaticContact CE1-CD1 3.78Å; F238-F249 HydrophobicContact CE1-CD1 3.78Å; F238-F249 HydrophobicContact CE1-CE1 4.19Å; F238-F249 HydrophobicContact CE1-CG 4.35Å; F238-F249 HydrophobicContact CG-CB 4.19Å; F238-F249 HydrophobicContact CG-CG 4.29Å; F238-I261 HydrophobicContact CE1-CD1 4.01Å; F238-I261 HydrophobicContact CZ-CB 4.49Å; F238-I261 HydrophobicContact CZ-CD1 4.48Å; F238-I261 HydrophobicContact CZ-CG2 4.02Å; F238-L328 HydrophobicContact CD1-CD1 4.07Å; F238-L328 HydrophobicContact CD2-CD1 4.17Å; F238-L328 HydrophobicContact CE1-CD1 4.06Å; F238-L328 HydrophobicContact CE1-CD2 3.72Å; F238-L328 HydrophobicContact CE1-CG 4.49Å; F238-L328 HydrophobicContact CE2-CD1 4.12Å; F238-L328 HydrophobicContact CE2-CD2 4.18Å; F238-L328 HydrophobicContact CG-CD1 4.12Å; F238-L328 HydrophobicContact CZ-CD1 4.07Å; F238-L328 HydrophobicContact CZ-CD2 3.5Å; F238-L328 VanDerWaalsContact CZ-CD2 3.5Å; F238-L328 HydrophobicContact CZ-CG 4.46Å
239	N	96.3	Very high	94.8	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-63.6	-38.1	175.9	-76.1	-6.1	0	0	0	112.5	Q235 H236 T237 W241 S242 R243 I378 P379 E381	Q235-N239 PolarHBondContact NE2-OD1 3.32Å; Q235-N239 VanDerWaalsContact NE2-OD1 3.09Å; Q235-N239 WeakPolarHBondContact O-CB 3.34Å; Q235-N239 PolarHBondContact O-N 2.84Å; Q235-N239 PolarHBondContact O-ND2 3.41Å; Q235-N239 PolarHBondContact O-OD1 3.47Å; H236-N239 WeakPolarHBondContact O-CB 3.33Å; H236-N239 PolarHBondContact O-N 2.91Å; T237-N239 VanDerWaalsContact C-N 3.32Å; T237-N239 PolarHBondContact O-N 3.19Å; N239-W241 VanDerWaalsContact C-N 3.35Å; N239-W241 PolarHBondContact O-N 2.97Å; N239-S242 PolarHBondContact O-N 3.38Å; N239-R243 VanDerWaalsContact O-CG 3.22Å; N239-R243 WeakPolarHBondContact O-CG 3.34Å; N239-R243 PolarHBondContact O-N 2.96Å; N239-I378 HydrophobicContact CB-CG2 3.86Å; N239-I378 WeakPolarHBondContact OD1-CG2 3.45Å; N239-P379 PolarHBondContact ND2-O 3.15Å; N239-E381 VanDerWaalsContact ND2-CG 3.34Å; N239-E381 WeakPolarHBondContact ND2-CG 3.5Å; N239-E381 PolarHBondContact ND2-OE1 3.47Å
240	L	95.5	Very high	95.2	Very high	21 Å²	21	19.9 Å²	19.9	11%	0.11	10%	0.095	C	C	.	.	H	α-helix	trans	-55.1	-49.8	175.9	-177.4	66.6	0	0	0	111	H236 T237 F238 A325 I343 V355 L357	H236-L240 PolarHBondContact O-N 3.01Å; T237-L240 WeakPolarHBondContact O-CB 3.24Å; T237-L240 PolarHBondContact O-N 3.5Å; F238-L240 VanDerWaalsContact C-N 3.33Å; F238-L240 PolarHBondContact O-N 2.86Å; L240-A325 HydrophobicContact CD2-CB 4.01Å; L240-I343 HydrophobicContact CD2-CD1 3.87Å; L240-V355 HydrophobicContact CD2-CG1 4.28Å; L240-L357 HydrophobicContact CD1-CD1 4.37Å; L240-L357 HydrophobicContact CD1-CG 4.23Å; L240-L357 HydrophobicContact CD2-CG 4.29Å; L240-L357 HydrophobicContact CG-CD1 4.04Å; L240-L357 HydrophobicContact CG-CG 3.94Å; L240-L357 WeakPolarHBondContact O-CD1 3.43Å
241	W	97.6	Very high	95.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.6	-46.9	174.6	-73.6	110.6	0	0	0	112.3	T237 F238 N239 R243 V244 V245 F249 A325 L332 L334 M344 L357 D361 I365	T237-W241 PolarHBondContact O-N 3.21Å; F238-W241 PolarHBondContact O-N 3.49Å; N239-W241 VanDerWaalsContact C-N 3.35Å; N239-W241 PolarHBondContact O-N 2.97Å; W241-R243 PolarHBondContact O-N 2.95Å; W241-R243 VanDerWaalsContact O-N 3.12Å; W241-V244 VanDerWaalsContact O-CG2 3.31Å; W241-V244 WeakPolarHBondContact O-CG2 3.41Å; W241-V244 PolarHBondContact O-N 3.45Å; W241-V245 VanDerWaalsContact O-CG1 3.26Å; W241-V245 WeakPolarHBondContact O-CG1 2.96Å; W241-V245 PolarHBondContact O-N 2.87Å; W241-F249 HydrophobicContact CB-CE2 4.31Å; W241-A325 WeakPolarHBondContact CZ2-O 3.1Å; W241-A325 PolarHBondContact NE1-O 3.09Å; W241-L332 HydrophobicContact CB-CD1 3.88Å; W241-L332 HydrophobicContact CD2-CD1 3.9Å; W241-L332 HydrophobicContact CE3-CD1 4.26Å; W241-L332 HydrophobicContact CG-CD1 3.73Å; W241-L334 HydrophobicContact CH2-CD1 3.2Å; W241-L334 HydrophobicContact CZ2-CD1 4.1Å; W241-L334 HydrophobicContact CZ3-CD1 3.52Å; W241-M344 HydrophobicContact CH2-SD 4.39Å; W241-M344 HydrophobicContact CZ2-SD 4.21Å; W241-L357 HydrophobicContact CD2-CD2 4.09Å; W241-L357 HydrophobicContact CE3-CD1 4.22Å; W241-L357 HydrophobicContact CE3-CD2 3.88Å; W241-L357 HydrophobicContact CH2-CD2 3.48Å; W241-L357 VanDerWaalsContact CH2-CD2 3.48Å; W241-L357 HydrophobicContact CZ2-CD2 3.73Å; W241-L357 HydrophobicContact CZ3-CD1 4.48Å; W241-L357 HydrophobicContact CZ3-CD2 3.56Å; W241-D361 HydrophobicContact CH2-CB 4.23Å; W241-I365 HydrophobicContact CE3-CB 4.3Å; W241-I365 HydrophobicContact CE3-CG1 4.05Å; W241-I365 HydrophobicContact CE3-CG2 4.25Å; W241-I365 HydrophobicContact CZ3-CB 3.89Å; W241-I365 HydrophobicContact CZ3-CD1 4.45Å; W241-I365 HydrophobicContact CZ3-CG1 4.08Å; W241-I365 HydrophobicContact CZ3-CG2 4Å
242	S	96.8	Very high	95.5	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.007	11%	0.106	C	C	.	.	H	α-helix	trans	-53.5	-35.6	-178.7	-165.1	0	0	0	0	113	F238 N239 V244 K376 I378	F238-S242 VanDerWaalsContact O-CB 3.24Å; F238-S242 WeakPolarHBondContact O-CB 3.26Å; F238-S242 PolarHBondContact O-N 3.46Å; N239-S242 PolarHBondContact O-N 3.38Å; S242-V244 PolarHBondContact O-N 3.25Å; S242-K376 PolarHBondContact O-NZ 3.43Å; S242-K376 WeakPolarHBondContact OG-CE 3.19Å; S242-K376 PolarHBondContact OG-NZ 2.87Å; S242-I378 VanDerWaalsContact OG-CD1 3.27Å; S242-I378 WeakPolarHBondContact OG-CD1 3.48Å
243	R	96.4	Very high	95	Very high	121 Å²	121	29.2 Å²	29.2	46%	0.457	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-26.2	-179.9	-75.8	166.5	-174	140.9	7.3	113.7	N239 W241 A372 I378 E381	N239-R243 VanDerWaalsContact O-CG 3.22Å; N239-R243 WeakPolarHBondContact O-CG 3.34Å; N239-R243 PolarHBondContact O-N 2.96Å; W241-R243 PolarHBondContact O-N 2.95Å; W241-R243 VanDerWaalsContact O-N 3.12Å; R243-A372 WeakPolarHBondContact O-CB 3.4Å; R243-I378 HydrophobicContact CG-CD1 4.27Å; R243-I378 HydrophobicContact CG-CG1 4.4Å; R243-E381 IonicContact CZ-OE1 3.98Å; R243-E381 IonicContact NH1-OE1 2.65Å; R243-E381 IonicContact NH2-OE1 3.37Å; R243-E381 PolarHBondContact NH2-OE1 2.65Å
244	V	97.4	Very high	94.1	Very high	26 Å²	26	31.5 Å²	31.5	16%	0.158	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-14.7	-173.9	-56.8	0	0	0	0	114	W241 S242 L357 I362 I365 Q366 A372	W241-V244 VanDerWaalsContact O-CG2 3.31Å; W241-V244 WeakPolarHBondContact O-CG2 3.41Å; W241-V244 PolarHBondContact O-N 3.45Å; S242-V244 PolarHBondContact O-N 3.25Å; V244-L357 HydrophobicContact CB-CD1 4.38Å; V244-L357 HydrophobicContact CG1-CD1 3.93Å; V244-L357 HydrophobicContact CG2-CD1 3.51Å; V244-I362 HydrophobicContact CB-CG1 4.5Å; V244-I362 HydrophobicContact CB-CG2 4.44Å; V244-I362 HydrophobicContact CG1-CD1 4.33Å; V244-I362 HydrophobicContact CG1-CG1 4.24Å; V244-I365 HydrophobicContact CG2-CG2 3.96Å; V244-Q366 WeakPolarHBondContact O-CG 3.23Å; V244-Q366 PolarHBondContact O-NE2 3.03Å; V244-A372 PolarHBondContact O-N 3.15Å
245	V	96.4	Very high	92.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-119.9	148.3	-173	76.9	0	0	0	0	113	W241 L247 F249 I365 Y369 K376	W241-V245 VanDerWaalsContact O-CG1 3.26Å; W241-V245 WeakPolarHBondContact O-CG1 2.96Å; W241-V245 PolarHBondContact O-N 2.87Å; V245-L247 HydrophobicContact CG1-CB 3.99Å; V245-L247 HydrophobicContact CG1-CD1 4.48Å; V245-L247 HydrophobicContact CG1-CG 4.36Å; V245-L247 HydrophobicContact CG2-CD1 4.4Å; V245-L247 HydrophobicContact CG2-CG 4.27Å; V245-L247 PolarHBondContact O-N 2.94Å; V245-F249 HydrophobicContact CG1-CE2 4.36Å; V245-I365 HydrophobicContact CB-CG1 4.06Å; V245-I365 HydrophobicContact CB-CG2 4.42Å; V245-I365 HydrophobicContact CG2-CG1 3.7Å; V245-Y369 VanDerWaalsContact CG2-CB 3.47Å; V245-Y369 HydrophobicContact CG2-CD2 3.78Å; V245-Y369 HydrophobicContact CG2-CG 4Å; V245-K376 PolarHBondContact O-NZ 3.26Å
246	N	96.5	Very high	91.4	Very high	31 Å²	31	37 Å²	37	17%	0.166	17%	0.168	C	C	.	.	S	Bend	trans	-79.4	61.6	171.2	-173.6	29.9	0	0	0	112.5	K211 G370 A371 K373	K211-N246 WeakPolarHBondContact CD-O 3.47Å; K211-N246 PolarHBondContact NZ-O 3.27Å; K211-N246 VanDerWaalsContact NZ-O 3.1Å; N246-G370 PolarHBondContact N-O 2.96Å; N246-A371 WeakPolarHBondContact CB-O 3.43Å; N246-K373 VanDerWaalsContact OD1-CE 3.28Å; N246-K373 WeakPolarHBondContact OD1-CE 2.95Å
247	L	96.3	Very high	90.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.179	C	C	.	.			trans	-142.1	129.6	169.9	-64.3	175	0	0	0	110.7	K211 L213 V245 F249 L332 Y369 K376	K211-L247 HydrophobicContact CD-CD2 3.77Å; K211-L247 CarbonylContact O-C 3.59Å; K211-L247 WeakPolarHBondContact O-CA 3.46Å; L213-L247 HydrophobicContact CD1-CD1 4.06Å; V245-L247 HydrophobicContact CG1-CB 3.99Å; V245-L247 HydrophobicContact CG1-CD1 4.48Å; V245-L247 HydrophobicContact CG1-CG 4.36Å; V245-L247 HydrophobicContact CG2-CD1 4.4Å; V245-L247 HydrophobicContact CG2-CG 4.27Å; V245-L247 PolarHBondContact O-N 2.94Å; L247-F249 HydrophobicContact CB-CE2 4.19Å; L247-F249 HydrophobicContact CB-CZ 3.97Å; L247-F249 HydrophobicContact CD1-CZ 4.26Å; L247-L332 HydrophobicContact CD1-CD2 3.94Å; L247-Y369 HydrophobicContact CD1-CD1 3.87Å; L247-Y369 HydrophobicContact CD1-CD2 3.64Å; L247-Y369 HydrophobicContact CD1-CE1 3.88Å; L247-Y369 HydrophobicContact CD1-CE2 3.65Å; L247-Y369 HydrophobicContact CD1-CG 3.75Å; L247-Y369 HydrophobicContact CD2-CD1 3.78Å; L247-Y369 HydrophobicContact CD2-CE1 4.11Å; L247-Y369 HydrophobicContact CD2-CG 4.2Å; L247-Y369 HydrophobicContact CG-CD1 3.99Å; L247-Y369 HydrophobicContact CG-CD2 4.26Å; L247-Y369 HydrophobicContact CG-CE1 4.4Å; L247-Y369 HydrophobicContact CG-CG 3.9Å; L247-K376 WeakPolarHBondContact O-CE 3.36Å; L247-K376 PolarHBondContact O-NZ 2.91Å
248	D	96.5	Very high	89.5	Confident	52 Å²	52	45.4 Å²	45.4	28%	0.278	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	137.3	177.2	-59.7	-59.1	0	0	0	110.6	K211 Q212 L213 K376	K211-D248 PolarHBondContact O-N 2.61Å; Q212-D248 CarbonylContact C-O 3.55Å; Q212-D248 WeakPolarHBondContact CA-O 3.14Å; L213-D248 PolarHBondContact N-O 3.27Å; D248-K376 WeakPolarHBondContact OD1-CE 3.35Å; D248-K376 IonicContact OD1-NZ 2.77Å
249	F	97.1	Very high	89	Confident	1 Å²	1	46 Å²	46	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.7	-178.3	-60.4	-77.6	0	0	0	110.9	L213 F238 W241 V245 L247 I261 L332	L213-F249 HydrophobicContact CB-CD1 4Å; L213-F249 HydrophobicContact CB-CE1 4.2Å; L213-F249 HydrophobicContact CD1-CD1 4.37Å; L213-F249 HydrophobicContact CD1-CE1 3.71Å; L213-F249 HydrophobicContact CD1-CZ 4.49Å; L213-F249 WeakPolarHBondContact O-CA 3.23Å; F238-F249 HydrophobicContact CB-CB 4.08Å; F238-F249 HydrophobicContact CB-CG 4.29Å; F238-F249 HydrophobicContact CD1-CB 3.89Å; F238-F249 AromaticContact CD1-CD1 3.46Å; F238-F249 HydrophobicContact CD1-CD1 3.46Å; F238-F249 VanDerWaalsContact CD1-CD1 3.46Å; F238-F249 HydrophobicContact CD1-CD2 4.23Å; F238-F249 HydrophobicContact CD1-CE1 4Å; F238-F249 AromaticContact CD1-CG 3.59Å; F238-F249 HydrophobicContact CD1-CG 3.59Å; F238-F249 AromaticContact CE1-CD1 3.78Å; F238-F249 HydrophobicContact CE1-CD1 3.78Å; F238-F249 HydrophobicContact CE1-CE1 4.19Å; F238-F249 HydrophobicContact CE1-CG 4.35Å; F238-F249 HydrophobicContact CG-CB 4.19Å; F238-F249 HydrophobicContact CG-CG 4.29Å; W241-F249 HydrophobicContact CB-CE2 4.31Å; V245-F249 HydrophobicContact CG1-CE2 4.36Å; L247-F249 HydrophobicContact CB-CE2 4.19Å; L247-F249 HydrophobicContact CB-CZ 3.97Å; L247-F249 HydrophobicContact CD1-CZ 4.26Å; F249-I261 HydrophobicContact CE1-CD1 4.47Å; F249-L332 HydrophobicContact CE1-CD2 3.57Å; F249-L332 HydrophobicContact CZ-CD1 3.92Å; F249-L332 HydrophobicContact CZ-CD2 3.52Å; F249-L332 HydrophobicContact CZ-CG 4.35Å
250	M	95.3	Very high	88.7	Confident	54 Å²	54	47.2 Å²	47.2	27%	0.266	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.4	179.2	-63.8	-69.3	108.2	0	0	110.5	Q212 L213 T214 W215 E252 F377 P379	Q212-M250 HydrophobicContact CG-CG 4.36Å; L213-M250 PolarHBondContact O-N 2.98Å; T214-M250 CarbonylContact C-O 3.51Å; T214-M250 WeakPolarHBondContact CA-O 3.48Å; W215-M250 VanDerWaalsContact CD1-O 3.26Å; W215-M250 PolarHBondContact N-O 3.05Å; M250-E252 PolarHBondContact O-N 3.44Å; M250-F377 HydrophobicContact CE-CD1 4.44Å; M250-F377 HydrophobicContact CE-CE1 4.49Å; M250-P379 HydrophobicContact CE-CG 3.39Å
251	E	94.3	Very high	88.6	Confident	45 Å²	45	46.2 Å²	46.2	21%	0.21	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	127.9	171.4	-174.4	-176.6	-171.8	0	0	110.1	W215 H231 K253	W215-E251 HydrophobicContact CD2-CB 4.41Å; W215-E251 HydrophobicContact CH2-CB 4.17Å; W215-E251 HydrophobicContact CH2-CG 3.98Å; W215-E251 HydrophobicContact CZ2-CB 3.69Å; W215-E251 HydrophobicContact CZ2-CG 4.03Å; W215-E251 HydrophobicContact CZ3-CG 4.22Å; W215-E251 WeakPolarHBondContact O-CA 3.4Å; H231-E251 IonicContact CD2-OE1 3.11Å; H231-E251 PolarHBondContact CD2-OE1 3.01Å; H231-E251 IonicContact CE1-OE1 3.44Å; H231-E251 IonicContact CE1-OE2 2.74Å; H231-E251 IonicContact NE2-OE1 3.06Å; H231-E251 PolarHBondContact NE2-OE1 3.01Å; H231-E251 IonicContact NE2-OE2 2.79Å; H231-E251 PolarHBondContact NE2-OE2 3.38Å; E251-K253 HydrophobicContact CG-CG 4.29Å; E251-K253 PolarHBondContact O-N 3.49Å
252	E	90.1	Very high	88.2	Confident	41 Å²	41	46.8 Å²	46.8	19%	0.192	23%	0.226	C	C	.	.			trans	-83.6	105.4	167	-179.1	53.8	-88.9	0	0	109.3	W215 Q216 M250 D254 K257 A259	W215-E252 PolarHBondContact O-N 3.07Å; Q216-E252 PolarHBondContact NE2-O 3.05Å; M250-E252 PolarHBondContact O-N 3.44Å; E252-D254 VanDerWaalsContact C-N 3.35Å; E252-D254 VanDerWaalsContact OE1-CB 3.22Å; E252-D254 WeakPolarHBondContact OE1-CB 3.29Å; E252-D254 PolarHBondContact OE1-N 3.22Å; E252-K257 HydrophobicContact CG-CB 4.11Å; E252-A259 HydrophobicContact CB-CB 4.23Å
253	K	81.5	Confident	87.9	Confident	152 Å²	152	46.8 Å²	46.8	66%	0.661	23%	0.226	S	C	*	.			trans	-82.8	-18.2	-177.8	-63.5	-175.2	178.6	-177.9	0	112.5	E251 Y255	E251-K253 HydrophobicContact CG-CG 4.29Å; E251-K253 PolarHBondContact O-N 3.49Å; K253-Y255 WeakPolarHBondContact O-CD2 2.98Å; K253-Y255 PolarHBondContact O-N 3Å
254	D	74.6	Confident	87.4	Confident	51 Å²	51	41.5 Å²	41.5	27%	0.273	21%	0.207	S	C	.	.			trans	-83.6	98.4	175.1	-169.2	-13.7	0	0	0	109.7	Q216 E252 Y256 K257	Q216-D254 PolarHBondContact NE2-O 2.87Å; E252-D254 VanDerWaalsContact C-N 3.35Å; E252-D254 VanDerWaalsContact OE1-CB 3.22Å; E252-D254 WeakPolarHBondContact OE1-CB 3.29Å; E252-D254 PolarHBondContact OE1-N 3.22Å; D254-Y256 PolarHBondContact O-N 3.12Å; D254-Y256 VanDerWaalsContact O-N 3.07Å; D254-Y256 WeakPolarHBondContact OD1-CB 3.38Å; D254-Y256 PolarHBondContact OD1-N 2.86Å; D254-K257 HydrophobicContact CB-CB 4.26Å; D254-K257 HydrophobicContact CB-CD 3.97Å; D254-K257 HydrophobicContact CB-CG 4.14Å; D254-K257 PolarHBondContact O-N 3.28Å; D254-K257 WeakPolarHBondContact OD2-CD 3.49Å; D254-K257 WeakPolarHBondContact OD2-CE 3.3Å; D254-K257 IonicContact OD2-NZ 3.6Å; D254-K257 PolarHBondContact OD2-NZ 3.02Å
255	Y	69.2	Low	86.8	Confident	47 Å²	47	40.4 Å²	40.4	18%	0.184	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-4.1	-179.5	-67.3	-85.6	0	0	0	114.8	Q216 K253 R418 N419 L420	Q216-Y255 HydrophobicContact CG-CD1 4.02Å; Q216-Y255 HydrophobicContact CG-CE1 3.92Å; K253-Y255 WeakPolarHBondContact O-CD2 2.98Å; K253-Y255 PolarHBondContact O-N 3Å; Y255-R418 WeakPolarHBondContact CB-O 3.45Å; Y255-R418 HydrophobicContact CD2-CB 3.87Å; Y255-R418 HydrophobicContact CD2-CG 4.05Å; Y255-R418 HydrophobicContact CE2-CB 4.35Å; Y255-R418 HydrophobicContact CE2-CG 4.38Å; Y255-R418 HydrophobicContact CG-CB 4Å; Y255-N419 PolarHBondContact O-ND2 3.47Å; Y255-L420 HydrophobicContact CD1-CD1 3.94Å; Y255-L420 HydrophobicContact CD1-CD2 4.31Å; Y255-L420 HydrophobicContact CD1-CG 4.03Å; Y255-L420 HydrophobicContact CE1-CD1 3.39Å; Y255-L420 HydrophobicContact CE1-CD2 4.21Å; Y255-L420 HydrophobicContact CE1-CG 3.97Å
256	Y	64.8	Low	85.8	Confident	80 Å²	80	40.5 Å²	40.5	31%	0.314	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-9.4	172.3	-62.3	-82.1	0	0	0	112.5	D254 E473	D254-Y256 PolarHBondContact O-N 3.12Å; D254-Y256 VanDerWaalsContact O-N 3.07Å; D254-Y256 WeakPolarHBondContact OD1-CB 3.38Å; D254-Y256 PolarHBondContact OD1-N 2.86Å; Y256-E473 VanDerWaalsContact OH-CD 3.27Å; Y256-E473 PolarHBondContact OH-OE2 3.33Å
257	K	72	Confident	84.8	Confident	107 Å²	107	39.7 Å²	39.7	47%	0.465	20%	0.198	S	C	.	.	S	Bend	trans	-98.9	138.3	175.8	-71.9	179.9	-174.8	136.8	0	111.2	E252 D254 A259	E252-K257 HydrophobicContact CG-CB 4.11Å; D254-K257 HydrophobicContact CB-CB 4.26Å; D254-K257 HydrophobicContact CB-CD 3.97Å; D254-K257 HydrophobicContact CB-CG 4.14Å; D254-K257 PolarHBondContact O-N 3.28Å; D254-K257 WeakPolarHBondContact OD2-CD 3.49Å; D254-K257 WeakPolarHBondContact OD2-CE 3.3Å; D254-K257 IonicContact OD2-NZ 3.6Å; D254-K257 PolarHBondContact OD2-NZ 3.02Å; K257-A259 PolarHBondContact O-N 2.92Å
258	P	77.4	Confident	83.6	Confident	121 Å²	121	40.7 Å²	40.7	79%	0.786	21%	0.209	S	C	*	.	P	Polyproline II helix	trans	-66.9	133	172.8	28.3	-33.1	0	0	0	110.3
259	A	87.5	Confident	81.9	Confident	15 Å²	15	40.8 Å²	40.8	12%	0.124	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-89.6	157.8	169.2	0	0	0	0	0	111	T214 Q216 E252 K257 V262	T214-A259 WeakPolarHBondContact OG1-CA 3.04Å; Q216-A259 HydrophobicContact CB-CB 3.67Å; E252-A259 HydrophobicContact CB-CB 4.23Å; K257-A259 PolarHBondContact O-N 2.92Å; A259-V262 HydrophobicContact CB-CG2 4.48Å
260	D	90.1	Very high	80.2	Confident	25 Å²	25	40.9 Å²	40.9	13%	0.134	21%	0.207	C	C	.	.	S	Bend	trans	-71.9	-33.9	174.6	-61.6	-62.7	0	0	0	112	W208 K210 L213 T214	W208-D260 HydrophobicContact CH2-CB 4.1Å; W208-D260 WeakPolarHBondContact CH2-O 3.11Å; W208-D260 HydrophobicContact CZ3-CB 4.28Å; K210-D260 IonicContact NZ-OD1 3.51Å; K210-D260 PolarHBondContact NZ-OD1 3.41Å; K210-D260 IonicContact NZ-OD2 3.67Å; L213-D260 WeakPolarHBondContact CA-OD2 3.31Å; L213-D260 HydrophobicContact CD2-CB 4.22Å; T214-D260 PolarHBondContact N-OD2 3.18Å; T214-D260 CarbonylContact O-C 3.46Å; T214-D260 WeakPolarHBondContact O-CA 3.16Å; T214-D260 WeakPolarHBondContact O-CB 3.45Å; T214-D260 PolarHBondContact O-N 2.66Å; T214-D260 PolarHBondContact OG1-N 2.74Å; T214-D260 PolarHBondContact OG1-OD2 3.31Å
261	I	92.6	Very high	78.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	113.1	177.7	-64.3	169.8	0	0	0	109.2	W208 L213 T214 W215 Q216 F238 F249 I263 L328	W208-I261 HydrophobicContact CZ2-CD1 4.46Å; W208-I261 HydrophobicContact CZ2-CG1 3.87Å; L213-I261 HydrophobicContact CD1-CD1 4.48Å; T214-I261 PolarHBondContact O-N 3.46Å; W215-I261 CarbonylContact C-O 3.58Å; W215-I261 WeakPolarHBondContact CA-O 3.46Å; W215-I261 HydrophobicContact CB-CB 4.2Å; Q216-I261 PolarHBondContact N-O 3.2Å; F238-I261 HydrophobicContact CE1-CD1 4.01Å; F238-I261 HydrophobicContact CZ-CB 4.49Å; F238-I261 HydrophobicContact CZ-CD1 4.48Å; F238-I261 HydrophobicContact CZ-CG2 4.02Å; F249-I261 HydrophobicContact CE1-CD1 4.47Å; I261-I263 HydrophobicContact CG2-CD1 4.01Å; I261-L328 HydrophobicContact CG2-CD2 4.3Å
262	V	88.3	Confident	77.1	Confident	13 Å²	13	38.3 Å²	38.3	8%	0.079	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	130.6	175.9	-176.9	0	0	0	0	110.5	Q218 A259 Q264 D300 A301	Q218-V262 HydrophobicContact CB-CG1 3.89Å; Q218-V262 HydrophobicContact CG-CG1 3.59Å; A259-V262 HydrophobicContact CB-CG2 4.48Å; V262-Q264 HydrophobicContact CG1-CG 4.02Å; V262-D300 WeakPolarHBondContact CA-OD1 3.44Å; V262-D300 HydrophobicContact CB-CB 4.5Å; V262-D300 VanDerWaalsContact CB-OD1 3.25Å; V262-D300 WeakPolarHBondContact CB-OD1 3.49Å; V262-D300 PolarHBondContact N-OD1 3.15Å; V262-D300 VanDerWaalsContact O-CA 3.3Å; V262-D300 WeakPolarHBondContact O-CA 3.07Å; V262-D300 WeakPolarHBondContact O-CB 3.35Å; V262-A301 PolarHBondContact O-N 2.83Å
263	I	91.6	Very high	76	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.7	175.8	-56.1	-56	0	0	0	109.2	Q216 I217 Q218 F234 I261 F265 A301 F303 L328	Q216-I263 PolarHBondContact O-N 3.28Å; I217-I263 HydrophobicContact CB-CB 4.47Å; I217-I263 HydrophobicContact CG1-CB 4.05Å; I217-I263 HydrophobicContact CG1-CG1 4.43Å; I217-I263 HydrophobicContact CG1-CG2 4.25Å; I217-I263 HydrophobicContact CG2-CG2 4.46Å; Q218-I263 PolarHBondContact N-O 3.46Å; F234-I263 HydrophobicContact CD1-CD1 4.21Å; F234-I263 HydrophobicContact CD1-CG1 4.05Å; F234-I263 HydrophobicContact CD1-CG2 4.17Å; F234-I263 HydrophobicContact CD2-CG2 4.23Å; F234-I263 HydrophobicContact CE1-CB 4.45Å; F234-I263 HydrophobicContact CE1-CD1 4.01Å; F234-I263 HydrophobicContact CE1-CG1 4.08Å; F234-I263 HydrophobicContact CE1-CG2 3.55Å; F234-I263 HydrophobicContact CE2-CG2 3.65Å; F234-I263 HydrophobicContact CG-CG2 4.49Å; F234-I263 HydrophobicContact CZ-CG2 3.28Å; I261-I263 HydrophobicContact CG2-CD1 4.01Å; I263-F265 HydrophobicContact CG2-CE2 4.18Å; I263-A301 WeakPolarHBondContact CA-O 3.24Å; I263-A301 HydrophobicContact CD1-CB 3.84Å; I263-F303 HydrophobicContact CD1-CE2 4.47Å; I263-F303 HydrophobicContact CG2-CD2 4.14Å; I263-F303 HydrophobicContact CG2-CE2 3.88Å; I263-L328 HydrophobicContact CD1-CD2 4Å
264	Q	85.4	Confident	75.4	Confident	11 Å²	11	35 Å²	35	5%	0.051	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.4	178.2	-70.9	174.4	4.5	0	0	111.8	Q218 S219 V262 A301 H302 F303 K437	Q218-Q264 HydrophobicContact CB-CG 3.89Å; S219-Q264 VanDerWaalsContact OG-CA 3.26Å; S219-Q264 WeakPolarHBondContact OG-CA 3.32Å; S219-Q264 WeakPolarHBondContact OG-CB 3.39Å; V262-Q264 HydrophobicContact CG1-CG 4.02Å; Q264-A301 PolarHBondContact N-O 3.11Å; Q264-H302 CarbonylContact O-C 3.55Å; Q264-H302 VanDerWaalsContact O-CA 3.26Å; Q264-H302 WeakPolarHBondContact O-CA 3.41Å; Q264-F303 PolarHBondContact O-N 3.34Å; Q264-K437 VanDerWaalsContact NE2-NZ 3.18Å
265	F	85.1	Confident	75.3	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.009	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.7	165.8	-68.6	-102.5	0	0	0	108.2	S219 P221 F234 I263 F303 D305 W309 L320	S219-F265 WeakPolarHBondContact O-CD2 3.43Å; S219-F265 PolarHBondContact OG-N 2.93Å; S219-F265 PolarHBondContact OG-O 3.47Å; P221-F265 HydrophobicContact CB-CD1 4.34Å; P221-F265 HydrophobicContact CB-CE1 4.41Å; P221-F265 HydrophobicContact CG-CD1 3.81Å; P221-F265 HydrophobicContact CG-CE1 3.5Å; P221-F265 VanDerWaalsContact CG-CE1 3.5Å; P221-F265 HydrophobicContact CG-CE2 4.25Å; P221-F265 HydrophobicContact CG-CG 4.34Å; P221-F265 HydrophobicContact CG-CZ 3.73Å; F234-F265 AromaticContact CE2-CE2 3.78Å; F234-F265 HydrophobicContact CE2-CE2 3.78Å; F234-F265 AromaticContact CE2-CZ 3.83Å; F234-F265 HydrophobicContact CE2-CZ 3.83Å; F234-F265 HydrophobicContact CZ-CE2 4.04Å; F234-F265 AromaticContact CZ-CZ 3.96Å; F234-F265 HydrophobicContact CZ-CZ 3.96Å; I263-F265 HydrophobicContact CG2-CE2 4.18Å; F265-F303 WeakPolarHBondContact CA-O 3.48Å; F265-F303 HydrophobicContact CD1-CB 3.58Å; F265-F303 HydrophobicContact CD1-CG 4.47Å; F265-F303 HydrophobicContact CE1-CB 3.49Å; F265-F303 VanDerWaalsContact CE1-CB 3.49Å; F265-F303 AromaticContact CE1-CG 3.99Å; F265-F303 HydrophobicContact CE1-CG 3.99Å; F265-F303 HydrophobicContact CE2-CD2 4.37Å; F265-F303 HydrophobicContact CG-CB 4.15Å; F265-F303 HydrophobicContact CZ-CB 4.04Å; F265-F303 HydrophobicContact CZ-CD2 4.25Å; F265-F303 HydrophobicContact CZ-CG 4.07Å; F265-D305 HydrophobicContact CB-CB 4.16Å; F265-W309 AromaticContact CD1-NE1 3.83Å; F265-W309 AromaticContact CE1-CD1 3.98Å; F265-W309 HydrophobicContact CE1-CD2 4.4Å; F265-W309 HydrophobicContact CE1-CG 4.34Å; F265-W309 AromaticContact CE1-NE1 3.79Å; F265-L320 HydrophobicContact CE1-CD1 4.05Å; F265-L320 HydrophobicContact CE1-CD2 4.49Å; F265-L320 HydrophobicContact CZ-CD1 3.91Å; F265-L320 HydrophobicContact CZ-CD2 3.96Å
266	G	75.7	Confident	75.8	Confident	2 Å²	2	31.7 Å²	31.7	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	151.6	-175.8	0	0	0	0	0	111.1	F276 F303 D304 D305 S436	G266-F276 WeakPolarHBondContact O-CD2 2.9Å; G266-F276 VanDerWaalsContact O-CE2 3.31Å; G266-F276 WeakPolarHBondContact O-CE2 3Å; G266-F303 PolarHBondContact N-O 3.37Å; G266-D304 CarbonylContact O-C 3.51Å; G266-D304 WeakPolarHBondContact O-CA 3.46Å; G266-D305 PolarHBondContact O-N 3.47Å; G266-S436 WeakPolarHBondContact CA-OG 3.45Å
267	A	74.3	Confident	76.5	Confident	14 Å²	14	31.6 Å²	31.6	12%	0.116	19%	0.191	C	C	.	.			trans	-113.2	144.8	177.5	0	0	0	0	0	109.7	K269 S436 T438	A267-K269 CarbonylContact O-C 3.56Å; A267-K269 PolarHBondContact O-N 3.37Å; A267-S436 PolarHBondContact N-OG 2.93Å; A267-T438 WeakPolarHBondContact O-CG2 3.24Å
268	G	71	Confident	76.8	Confident	22 Å²	22	27.2 Å²	27.2	23%	0.227	18%	0.177	C	C	.	.	S	Bend	trans	47.9	-129.4	-178.5	0	0	0	0	0	113.4	H270 P275 F276	G268-H270 PolarHBondContact O-N 2.8Å; G268-H270 PolarHBondContact O-ND1 2.88Å; G268-P275 CarbonylContact O-C 3.58Å; G268-P275 WeakPolarHBondContact O-CA 3.21Å; G268-F276 WeakPolarHBondContact CA-O 3.39Å; G268-F276 PolarHBondContact O-N 2.94Å
269	K	62.7	Low	77.2	Confident	53 Å²	53	25.1 Å²	25.1	23%	0.23	17%	0.17	C	C	.	.	S	Bend	trans	-68.1	116	170.9	-89.5	-175	-159.1	170.5	0	110.4	N88 Y90 A267 P275 T438 V439	N88-K269 PolarHBondContact OD1-NZ 3.1Å; Y90-K269 HydrophobicContact CD2-CD 4.36Å; Y90-K269 VanDerWaalsContact CD2-NZ 3.26Å; Y90-K269 HydrophobicContact CE2-CD 4.26Å; A267-K269 CarbonylContact O-C 3.56Å; A267-K269 PolarHBondContact O-N 3.37Å; K269-P275 HydrophobicContact CB-CB 4.39Å; K269-P275 HydrophobicContact CG-CB 3.75Å; K269-T438 CarbonylContact O-C 3.53Å; K269-T438 WeakPolarHBondContact O-CA 3.44Å; K269-T438 WeakPolarHBondContact O-CB 3.4Å; K269-T438 VanDerWaalsContact O-CG2 3.24Å; K269-T438 WeakPolarHBondContact O-CG2 3.16Å; K269-V439 HydrophobicContact CB-CB 3.78Å; K269-V439 HydrophobicContact CB-CG2 3.39Å; K269-V439 HydrophobicContact CD-CB 4.22Å; K269-V439 HydrophobicContact CD-CG2 4.29Å; K269-V439 HydrophobicContact CG-CB 4.36Å; K269-V439 HydrophobicContact CG-CG2 3.94Å; K269-V439 PolarHBondContact O-N 3.05Å
270	H	60.5	Low	77	Confident	3 Å²	3	25.1 Å²	25.1	1%	0.014	17%	0.171	C	C	.	.			trans	-127.8	34.4	-173.7	58.5	-83	0	0	0	120.5	G268 D272 I274 F276 H285 H302 K437	G268-H270 PolarHBondContact O-N 2.8Å; G268-H270 PolarHBondContact O-ND1 2.88Å; H270-D272 IonicContact CE1-OD1 3.79Å; H270-D272 IonicContact NE2-OD1 3.88Å; H270-D272 IonicContact NE2-OD2 2.63Å; H270-I274 PolarHBondContact CE1-O 3.35Å; H270-F276 AromaticContact CD2-CE2 3.96Å; H270-F276 AromaticContact CE1-CD2 3.21Å; H270-F276 WeakPolarHBondContact CE1-CD2 3.29Å; H270-F276 AromaticContact CE1-CE2 3.05Å; H270-F276 WeakPolarHBondContact CE1-CE2 3.26Å; H270-F276 AromaticContact CE1-CG 3.86Å; H270-F276 AromaticContact CE1-CZ 3.57Å; H270-F276 AromaticContact CG-CE2 3.92Å; H270-F276 AromaticContact ND1-CD2 3.21Å; H270-F276 WeakPolarHBondContact ND1-CD2 3.29Å; H270-F276 AromaticContact ND1-CE2 3.39Å; H270-F276 WeakPolarHBondContact ND1-CE2 3.32Å; H270-F276 AromaticContact NE2-CE2 3.44Å; H270-F276 WeakPolarHBondContact NE2-CE2 3.44Å; H270-F276 AromaticContact NE2-CZ 3.79Å; H270-H285 AromaticContact CE1-CE1 3.37Å; H270-H285 PolarHBondContact CE1-CE1 2.73Å; H270-H285 AromaticContact NE2-CE1 3.15Å; H270-H285 PolarHBondContact NE2-CE1 2.98Å; H270-H285 AromaticContact NE2-NE2 3.46Å; H270-H285 PolarHBondContact NE2-NE2 3.15Å; H270-H302 AromaticContact CD2-CG 3.84Å; H270-H302 AromaticContact CD2-ND1 3.31Å; H270-H302 PolarHBondContact CD2-ND1 2.92Å; H270-H302 VanDerWaalsContact CD2-ND1 3.31Å; H270-H302 AromaticContact NE2-CG 3.72Å; H270-H302 AromaticContact NE2-ND1 3.18Å; H270-H302 PolarHBondContact NE2-ND1 2.82Å; H270-H302 VanDerWaalsContact NE2-ND1 3.18Å; H270-K437 CarbonylContact C-O 3.3Å; H270-K437 WeakPolarHBondContact CA-O 3.22Å; H270-K437 WeakPolarHBondContact CB-O 3.34Å
271	G	60.4	Low	77	Confident	29 Å²	29	24.3 Å²	24.3	30%	0.299	17%	0.169	S	C	.	.	S	Bend	trans	106.8	-7.2	171.1	0	0	0	0	0	114.4
272	D	64.2	Low	76.9	Confident	16 Å²	16	24.3 Å²	24.3	9%	0.086	17%	0.169	C	C	.	.	S	Bend	trans	-123.6	-166.2	178.4	75.3	8.2	0	0	0	112.5	H270 I274 H285 Y287 H302	H270-D272 IonicContact CE1-OD1 3.79Å; H270-D272 IonicContact NE2-OD1 3.88Å; H270-D272 IonicContact NE2-OD2 2.63Å; D272-I274 PolarHBondContact OD1-N 2.78Å; D272-H285 IonicContact OD2-CD2 3.9Å; D272-H285 IonicContact OD2-CE1 2.98Å; D272-H285 IonicContact OD2-NE2 2.88Å; D272-H285 PolarHBondContact OD2-NE2 3.4Å; D272-Y287 HydrophobicContact CB-CE2 4.43Å; D272-Y287 WeakPolarHBondContact CB-OH 3.24Å; D272-Y287 WeakPolarHBondContact OD2-CE2 3.03Å; D272-Y287 PolarHBondContact OD2-OH 3.3Å; D272-H302 IonicContact OD2-CE1 2.65Å; D272-H302 PolarHBondContact OD2-CE1 2.84Å; D272-H302 VanDerWaalsContact OD2-CE1 3.28Å; D272-H302 IonicContact OD2-ND1 2.67Å; D272-H302 PolarHBondContact OD2-ND1 2.74Å
273	S	66.9	Low	77.1	Confident	88 Å²	88	23.9 Å²	23.9	62%	0.615	17%	0.166	S	C	*	.	S	Bend	trans	-87.5	-2.4	-177.7	69	0	0	0	0	115.2	P275	S273-P275 WeakPolarHBondContact O-CD 2.92Å
274	I	69.6	Low	77.3	Confident	35 Å²	35	23.9 Å²	23.9	18%	0.179	17%	0.166	C	C	.	.			trans	-121.5	90	-169.4	-50.8	175.4	0	0	0	109.5	H270 D272 H285	H270-I274 PolarHBondContact CE1-O 3.35Å; D272-I274 PolarHBondContact OD1-N 2.78Å; I274-H285 PolarHBondContact O-CE1 2.86Å
275	P	72.2	Confident	77.6	Confident	19 Å²	19	23.3 Å²	23.3	12%	0.123	16%	0.164	C	C	.	.			trans	-74.4	141.9	179.5	28.4	-32.7	0	0	0	112.5	R59 Y90 G268 K269 S273	R59-P275 VanDerWaalsContact CZ-O 3.26Å; R59-P275 PolarHBondContact NH1-O 2.65Å; R59-P275 PolarHBondContact NH2-O 2.83Å; Y90-P275 HydrophobicContact CD1-CG 4.32Å; Y90-P275 HydrophobicContact CE1-CG 4.07Å; G268-P275 CarbonylContact O-C 3.58Å; G268-P275 WeakPolarHBondContact O-CA 3.21Å; K269-P275 HydrophobicContact CB-CB 4.39Å; K269-P275 HydrophobicContact CG-CB 3.75Å; S273-P275 WeakPolarHBondContact O-CD 2.92Å
276	F	79.5	Confident	77.9	Confident	10 Å²	10	23.4 Å²	23.4	4%	0.044	16%	0.164	C	C	.	.			trans	-68.4	157.5	165.2	-63.4	-55.9	0	0	0	111.7	G266 G268 H270 V282 H285 H302 F303 D304	G266-F276 WeakPolarHBondContact O-CD2 2.9Å; G266-F276 VanDerWaalsContact O-CE2 3.31Å; G266-F276 WeakPolarHBondContact O-CE2 3Å; G268-F276 WeakPolarHBondContact CA-O 3.39Å; G268-F276 PolarHBondContact O-N 2.94Å; H270-F276 AromaticContact CD2-CE2 3.96Å; H270-F276 AromaticContact CE1-CD2 3.21Å; H270-F276 WeakPolarHBondContact CE1-CD2 3.29Å; H270-F276 AromaticContact CE1-CE2 3.05Å; H270-F276 WeakPolarHBondContact CE1-CE2 3.26Å; H270-F276 AromaticContact CE1-CG 3.86Å; H270-F276 AromaticContact CE1-CZ 3.57Å; H270-F276 AromaticContact CG-CE2 3.92Å; H270-F276 AromaticContact ND1-CD2 3.21Å; H270-F276 WeakPolarHBondContact ND1-CD2 3.29Å; H270-F276 AromaticContact ND1-CE2 3.39Å; H270-F276 WeakPolarHBondContact ND1-CE2 3.32Å; H270-F276 AromaticContact NE2-CE2 3.44Å; H270-F276 WeakPolarHBondContact NE2-CE2 3.44Å; H270-F276 AromaticContact NE2-CZ 3.79Å; F276-V282 HydrophobicContact CD1-CB 4.45Å; F276-V282 HydrophobicContact CD1-CG1 3.93Å; F276-V282 HydrophobicContact CE1-CG1 4.07Å; F276-H285 AromaticContact CE1-CE1 3.88Å; F276-H285 AromaticContact CE1-ND1 3.5Å; F276-H285 WeakPolarHBondContact CE1-ND1 3.42Å; F276-H285 AromaticContact CZ-CE1 3.76Å; F276-H285 AromaticContact CZ-ND1 3.76Å; F276-H302 HydrophobicContact CE2-CB 4.36Å; F276-H302 HydrophobicContact CZ-CB 3.97Å; F276-F303 WeakPolarHBondContact CE2-O 3.05Å; F276-D304 HydrophobicContact CB-CB 4.21Å; F276-D304 HydrophobicContact CD1-CB 3.71Å; F276-D304 HydrophobicContact CD2-CB 3.95Å; F276-D304 HydrophobicContact CE1-CB 4.06Å; F276-D304 HydrophobicContact CE2-CB 4.24Å; F276-D304 HydrophobicContact CG-CB 3.68Å; F276-D304 HydrophobicContact CZ-CB 4.32Å
277	D	79.3	Confident	78.4	Confident	78 Å²	78	25.5 Å²	25.5	42%	0.417	17%	0.172	S	C	.	.			trans	-105.2	9.1	-177.8	51.8	-19.2	0	0	0	113.5	V282	D277-V282 WeakPolarHBondContact OD1-CB 3.21Å; D277-V282 PolarHBondContact OD1-N 3.39Å
278	G	79.5	Confident	79	Confident	16 Å²	16	27.1 Å²	27.1	17%	0.165	18%	0.176	C	C	.	.	S	Bend	trans	82.7	-172.8	-174.6	0	0	0	0	0	111.7	G280 D304 D306	G278-G280 PolarHBondContact O-N 3.1Å; G278-D304 VanDerWaalsContact O-OD2 3.12Å; G278-D306 WeakPolarHBondContact CA-OD2 3.43Å
279	A	83.9	Confident	79.8	Confident	77 Å²	77	26.1 Å²	26.1	64%	0.636	17%	0.165	S	C	*	.	S	Bend	trans	-52.8	123.7	-175.2	0	0	0	0	0	113.6	D306	A279-D306 WeakPolarHBondContact CB-O 3.47Å
280	G	85.1	Confident	80.4	Confident	14 Å²	14	25.6 Å²	25.6	14%	0.144	17%	0.166	C	C	.	.	S	Bend	trans	106.1	-160.5	-173.1	0	0	0	0	0	111.7	G278 V282 E307	G278-G280 PolarHBondContact O-N 3.1Å; G280-V282 PolarHBondContact O-N 3.37Å; G280-E307 VanDerWaalsContact CA-OE1 3.23Å; G280-E307 WeakPolarHBondContact CA-OE1 3.26Å; G280-E307 PolarHBondContact N-OE1 2.84Å
281	G	89.1	Confident	80.7	Confident	9 Å²	9	28.1 Å²	28.1	9%	0.093	18%	0.183	C	C	.	.	S	Bend	trans	51.9	-113.8	167.3	0	0	0	0	0	115.2	P139 R140	P139-G281 CarbonylContact C-O 3.52Å; P139-G281 VanDerWaalsContact CA-O 3.22Å; P139-G281 WeakPolarHBondContact CA-O 3.31Å; R140-G281 PolarHBondContact N-O 3.32Å
282	V	90.5	Very high	80.5	Confident	0 Å²	0	32 Å²	32	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	113.2	-179.2	177.5	0	0	0	0	110.6	Y60 R140 G142 F276 D277 G280	Y60-V282 HydrophobicContact CE1-CG2 4.3Å; R140-V282 WeakPolarHBondContact O-CA 3.2Å; G142-V282 VanDerWaalsContact CA-CG1 3.42Å; F276-V282 HydrophobicContact CD1-CB 4.45Å; F276-V282 HydrophobicContact CD1-CG1 3.93Å; F276-V282 HydrophobicContact CE1-CG1 4.07Å; D277-V282 WeakPolarHBondContact OD1-CB 3.21Å; D277-V282 PolarHBondContact OD1-N 3.39Å; G280-V282 PolarHBondContact O-N 3.37Å
283	L	93.3	Very high	79.8	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-32.6	-177	-58.7	-175.1	0	0	0	113.8	P139 R140 D304 E307 W309 R318 V323 Y348	P139-L283 HydrophobicContact CB-CD1 4.01Å; P139-L283 HydrophobicContact CB-CD2 4.07Å; P139-L283 HydrophobicContact CB-CG 4.13Å; R140-L283 PolarHBondContact O-N 3.31Å; L283-D304 WeakPolarHBondContact O-CB 3.14Å; L283-D304 PolarHBondContact O-N 2.95Å; L283-E307 HydrophobicContact CD2-CG 3.83Å; L283-E307 WeakPolarHBondContact CD2-OE1 3.19Å; L283-W309 HydrophobicContact CB-CH2 4.36Å; L283-R318 HydrophobicContact CD2-CG 4.14Å; L283-V323 HydrophobicContact CB-CG1 4.29Å; L283-V323 HydrophobicContact CD1-CG2 3.9Å; L283-Y348 HydrophobicContact CD1-CD1 4.16Å; L283-Y348 HydrophobicContact CD1-CD2 3.77Å; L283-Y348 HydrophobicContact CD1-CG 3.54Å
284	A	94.9	Very high	78.8	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	167.1	-172.9	0	0	0	0	0	109.9	G142 H302 F303 V323 E327	G142-A284 PolarHBondContact N-O 3.41Å; A284-H302 CarbonylContact C-O 3.5Å; A284-H302 WeakPolarHBondContact CA-O 3.27Å; A284-H302 WeakPolarHBondContact CB-O 3.31Å; A284-F303 HydrophobicContact CB-CD1 3.82Å; A284-F303 HydrophobicContact CB-CE1 4.2Å; A284-F303 HydrophobicContact CB-CG 4.31Å; A284-V323 HydrophobicContact CB-CG1 3.54Å; A284-E327 HydrophobicContact CB-CG 3.5Å; A284-E327 VanDerWaalsContact CB-CG 3.5Å
285	H	91.4	Very high	77.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	162	165.9	58.7	-102.2	0	0	0	110.5	N143 H270 D272 I274 F276 H302 E327	N143-H285 WeakPolarHBondContact OD1-CB 3.15Å; H270-H285 AromaticContact CE1-CE1 3.37Å; H270-H285 PolarHBondContact CE1-CE1 2.73Å; H270-H285 AromaticContact NE2-CE1 3.15Å; H270-H285 PolarHBondContact NE2-CE1 2.98Å; H270-H285 AromaticContact NE2-NE2 3.46Å; H270-H285 PolarHBondContact NE2-NE2 3.15Å; D272-H285 IonicContact OD2-CD2 3.9Å; D272-H285 IonicContact OD2-CE1 2.98Å; D272-H285 IonicContact OD2-NE2 2.88Å; D272-H285 PolarHBondContact OD2-NE2 3.4Å; I274-H285 PolarHBondContact O-CE1 2.86Å; F276-H285 AromaticContact CE1-CE1 3.88Å; F276-H285 AromaticContact CE1-ND1 3.5Å; F276-H285 WeakPolarHBondContact CE1-ND1 3.42Å; F276-H285 AromaticContact CZ-CE1 3.76Å; F276-H285 AromaticContact CZ-ND1 3.76Å; H285-H302 PolarHBondContact N-O 3.45Å; H285-H302 AromaticContact NE2-CG 3.88Å; H285-H302 AromaticContact NE2-ND1 3.41Å; H285-H302 PolarHBondContact NE2-ND1 3.26Å; H285-H302 PolarHBondContact O-N 3.36Å; H285-E327 WeakPolarHBondContact CA-OE2 3.31Å
286	A	91.9	Very high	77.2	Confident	3 Å²	3	49.2 Å²	49.2	3%	0.025	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	147.2	-179.8	0	0	0	0	0	112.4	N143 D300 A301 E327 H330	N143-A286 PolarHBondContact ND2-O 3.04Å; N143-A286 PolarHBondContact OD1-N 3.05Å; N143-A286 PolarHBondContact OD1-O 3.19Å; A286-D300 CarbonylContact C-O 3.48Å; A286-D300 VanDerWaalsContact CA-O 3.29Å; A286-D300 WeakPolarHBondContact CA-O 3.35Å; A286-A301 HydrophobicContact CB-CB 3.86Å; A286-E327 HydrophobicContact CB-CB 3.98Å; A286-E327 WeakPolarHBondContact CB-O 3.38Å; A286-E327 PolarHBondContact N-OE2 3.33Å; A286-H330 HydrophobicContact CB-CB 3.77Å
287	Y	86.1	Confident	76.6	Confident	47 Å²	47	51.9 Å²	51.9	18%	0.184	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-88.5	138	179.8	-69.5	-84.7	0	0	0	110.9	D272 F297 G299 D300	D272-Y287 HydrophobicContact CB-CE2 4.43Å; D272-Y287 WeakPolarHBondContact CB-OH 3.24Å; D272-Y287 WeakPolarHBondContact OD2-CE2 3.03Å; D272-Y287 PolarHBondContact OD2-OH 3.3Å; Y287-F297 WeakPolarHBondContact CB-O 3.4Å; Y287-F297 HydrophobicContact CD1-CB 4.37Å; Y287-F297 HydrophobicContact CD2-CB 3.88Å; Y287-F297 HydrophobicContact CE2-CB 4.13Å; Y287-F297 HydrophobicContact CG-CB 4.04Å; Y287-G299 WeakPolarHBondContact O-CA 3.14Å; Y287-G299 PolarHBondContact O-N 2.8Å; Y287-D300 HydrophobicContact CD2-CB 4.44Å; Y287-D300 PolarHBondContact N-O 3.18Å
288	Y	87.5	Confident	76.6	Confident	48 Å²	48	48.9 Å²	48.9	19%	0.188	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-66.2	150.4	173.2	-67.4	-93.2	0	0	0	110.9	G299 H330 L334 G335	Y288-G299 PolarHBondContact O-N 2.96Å; Y288-H330 AromaticContact CZ-ND1 3.93Å; Y288-L334 VanDerWaalsContact CE1-O 3.24Å; Y288-L334 WeakPolarHBondContact CE1-O 3.42Å; Y288-G335 WeakPolarHBondContact OH-CA 3.29Å
289	P	87.9	Confident	76.9	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-68.2	146.3	174.8	28.4	-33.7	0	0	0	111.4	M206 W208 S298 S331	M206-P289 VanDerWaalsContact CA-O 3.29Å; M206-P289 WeakPolarHBondContact CA-O 3.22Å; W208-P289 HydrophobicContact CD2-CB 3.7Å; W208-P289 VanDerWaalsContact CE2-CB 3.47Å; W208-P289 HydrophobicContact CE3-CB 4.29Å; W208-P289 HydrophobicContact CG-CB 3.97Å; W208-P289 HydrophobicContact CH2-CB 4.47Å; W208-P289 HydrophobicContact CZ2-CB 3.91Å; P289-S298 WeakPolarHBondContact CA-OG 3.35Å; P289-S331 WeakPolarHBondContact CD-O 3.4Å
290	T	75.6	Confident	77.2	Confident	42 Å²	42	45 Å²	45	26%	0.258	24%	0.242	S	C	.	.			trans	-129.6	141	176.1	61.3	0	0	0	0	110.5	D292 S298	T290-D292 VanDerWaalsContact C-N 3.31Å; T290-D292 PolarHBondContact O-N 2.9Å; T290-D292 PolarHBondContact OG1-O 2.98Å; T290-S298 PolarHBondContact N-OG 3.42Å; T290-S298 VanDerWaalsContact OG1-CB 3.28Å; T290-S298 WeakPolarHBondContact OG1-CB 3.42Å; T290-S298 PolarHBondContact OG1-OG 3.07Å; T290-S298 VanDerWaalsContact OG1-OG 3.11Å
291	P	65.4	Low	77.6	Confident	56 Å²	56	44.3 Å²	44.3	36%	0.364	24%	0.236	S	C	.	.	S	Bend	trans	-66.3	-33.5	-178.8	-17.8	21.6	0	0	0	113.5	K205	K205-P291 HydrophobicContact CB-CG 4.47Å; K205-P291 WeakPolarHBondContact O-CD 3.18Å
292	D	56.1	Low	77.7	Confident	112 Å²	112	43.9 Å²	43.9	60%	0.599	23%	0.231	S	C	*	.	S	Bend	trans	-99.8	120.9	-176.6	-54.2	-39.6	0	0	0	107.7	T290 V294	T290-D292 VanDerWaalsContact C-N 3.31Å; T290-D292 PolarHBondContact O-N 2.9Å; T290-D292 PolarHBondContact OG1-O 2.98Å; D292-V294 HydrophobicContact CB-CB 4.42Å; D292-V294 HydrophobicContact CB-CG2 3.66Å; D292-V294 PolarHBondContact O-N 3.26Å
293	N	50.7	Low	77.8	Confident	145 Å²	145	43.9 Å²	43.9	78%	0.775	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	26.5	174.4	-73.2	2.5	0	0	0	113.5	Y295	N293-Y295 PolarHBondContact O-N 2.77Å
294	V	44.8	Very low	77.7	Confident	110 Å²	110	43.7 Å²	43.7	67%	0.667	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-25.4	-178.8	177.8	0	0	0	0	110.9	D292	D292-V294 HydrophobicContact CB-CB 4.42Å; D292-V294 HydrophobicContact CB-CG2 3.66Å; D292-V294 PolarHBondContact O-N 3.26Å
295	Y	46.4	Very low	77.3	Confident	167 Å²	167	44 Å²	44	66%	0.655	23%	0.232	S	C	*	.	S	Bend	trans	-118.1	126	176.6	-64	-76.3	0	0	0	111.1	N293 F297 S298	N293-Y295 PolarHBondContact O-N 2.77Å; Y295-F297 PolarHBondContact O-N 3.44Å; Y295-F297 VanDerWaalsContact O-N 3.09Å; Y295-S298 PolarHBondContact O-N 3.38Å
296	S	63.2	Low	76.9	Confident	96 Å²	96	47.2 Å²	47.2	67%	0.671	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-4.1	-172.8	59.9	0	0	0	0	115.8
297	F	65.9	Low	76.7	Confident	67 Å²	67	47.3 Å²	47.3	29%	0.294	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	7	-174.1	-56.8	-66	0	0	0	113.5	Y287 Y295 G299 D300	Y287-F297 WeakPolarHBondContact CB-O 3.4Å; Y287-F297 HydrophobicContact CD1-CB 4.37Å; Y287-F297 HydrophobicContact CD2-CB 3.88Å; Y287-F297 HydrophobicContact CE2-CB 4.13Å; Y287-F297 HydrophobicContact CG-CB 4.04Å; Y295-F297 PolarHBondContact O-N 3.44Å; Y295-F297 VanDerWaalsContact O-N 3.09Å; F297-G299 PolarHBondContact O-N 3.4Å; F297-D300 WeakPolarHBondContact O-CB 3.43Å; F297-D300 PolarHBondContact O-N 3.15Å
298	S	79.1	Confident	76.7	Confident	15 Å²	15	48.2 Å²	48.2	11%	0.105	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	112.7	-175.6	170.5	0	0	0	0	111.8	W208 P289 T290 Y295	W208-S298 WeakPolarHBondContact CH2-O 3.42Å; P289-S298 WeakPolarHBondContact CA-OG 3.35Å; T290-S298 PolarHBondContact N-OG 3.42Å; T290-S298 VanDerWaalsContact OG1-CB 3.28Å; T290-S298 WeakPolarHBondContact OG1-CB 3.42Å; T290-S298 PolarHBondContact OG1-OG 3.07Å; T290-S298 VanDerWaalsContact OG1-OG 3.11Å; Y295-S298 PolarHBondContact O-N 3.38Å
299	G	87	Confident	76.8	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	-11	-179.4	0	0	0	0	0	115.3	Y287 Y288 F297 S331	Y287-G299 WeakPolarHBondContact O-CA 3.14Å; Y287-G299 PolarHBondContact O-N 2.8Å; Y288-G299 PolarHBondContact O-N 2.96Å; F297-G299 PolarHBondContact O-N 3.4Å; G299-S331 WeakPolarHBondContact O-CB 3.24Å; G299-S331 PolarHBondContact O-OG 2.99Å
300	D	89.7	Confident	76.8	Confident	10 Å²	10	46.6 Å²	46.6	5%	0.053	25%	0.251	C	S	.	.			trans	-67.2	147.9	-176.4	-69.7	-5.7	0	0	0	111.8	V262 A286 Y287 F297	V262-D300 WeakPolarHBondContact CA-OD1 3.44Å; V262-D300 HydrophobicContact CB-CB 4.5Å; V262-D300 VanDerWaalsContact CB-OD1 3.25Å; V262-D300 WeakPolarHBondContact CB-OD1 3.49Å; V262-D300 PolarHBondContact N-OD1 3.15Å; V262-D300 VanDerWaalsContact O-CA 3.3Å; V262-D300 WeakPolarHBondContact O-CA 3.07Å; V262-D300 WeakPolarHBondContact O-CB 3.35Å; A286-D300 CarbonylContact C-O 3.48Å; A286-D300 VanDerWaalsContact CA-O 3.29Å; A286-D300 WeakPolarHBondContact CA-O 3.35Å; Y287-D300 HydrophobicContact CD2-CB 4.44Å; Y287-D300 PolarHBondContact N-O 3.18Å; F297-D300 WeakPolarHBondContact O-CB 3.43Å; F297-D300 PolarHBondContact O-N 3.15Å
301	A	93.5	Very high	77.2	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.5	177.9	0	0	0	0	0	110.8	V262 I263 Q264 A286 F303 E327	V262-A301 PolarHBondContact O-N 2.83Å; I263-A301 WeakPolarHBondContact CA-O 3.24Å; I263-A301 HydrophobicContact CD1-CB 3.84Å; Q264-A301 PolarHBondContact N-O 3.11Å; A286-A301 HydrophobicContact CB-CB 3.86Å; A301-F303 HydrophobicContact CB-CE2 3.88Å; A301-F303 HydrophobicContact CB-CZ 4.32Å; A301-E327 HydrophobicContact CB-CB 4.14Å
302	H	90.3	Very high	77.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.6	-178.7	-61	171.1	0	0	0	110.3	Q264 H270 D272 F276 A284 H285	Q264-H302 CarbonylContact O-C 3.55Å; Q264-H302 VanDerWaalsContact O-CA 3.26Å; Q264-H302 WeakPolarHBondContact O-CA 3.41Å; H270-H302 AromaticContact CD2-CG 3.84Å; H270-H302 AromaticContact CD2-ND1 3.31Å; H270-H302 PolarHBondContact CD2-ND1 2.92Å; H270-H302 VanDerWaalsContact CD2-ND1 3.31Å; H270-H302 AromaticContact NE2-CG 3.72Å; H270-H302 AromaticContact NE2-ND1 3.18Å; H270-H302 PolarHBondContact NE2-ND1 2.82Å; H270-H302 VanDerWaalsContact NE2-ND1 3.18Å; D272-H302 IonicContact OD2-CE1 2.65Å; D272-H302 PolarHBondContact OD2-CE1 2.84Å; D272-H302 VanDerWaalsContact OD2-CE1 3.28Å; D272-H302 IonicContact OD2-ND1 2.67Å; D272-H302 PolarHBondContact OD2-ND1 2.74Å; F276-H302 HydrophobicContact CE2-CB 4.36Å; F276-H302 HydrophobicContact CZ-CB 3.97Å; A284-H302 CarbonylContact C-O 3.5Å; A284-H302 WeakPolarHBondContact CA-O 3.27Å; A284-H302 WeakPolarHBondContact CB-O 3.31Å; H285-H302 PolarHBondContact N-O 3.45Å; H285-H302 AromaticContact NE2-CG 3.88Å; H285-H302 AromaticContact NE2-ND1 3.41Å; H285-H302 PolarHBondContact NE2-ND1 3.26Å; H285-H302 PolarHBondContact O-N 3.36Å
303	F	93.2	Very high	78.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	137.7	-178.3	-63.1	-95.8	0	0	0	109.7	F234 I263 Q264 F265 G266 F276 A284 A301 D305 W309 L320 V323 A324 E327	F234-F303 HydrophobicContact CE1-CE1 4.48Å; F234-F303 AromaticContact CE1-CE2 3.68Å; F234-F303 HydrophobicContact CE1-CE2 3.68Å; F234-F303 AromaticContact CE1-CZ 3.61Å; F234-F303 HydrophobicContact CE1-CZ 3.61Å; F234-F303 HydrophobicContact CZ-CD2 4.08Å; F234-F303 HydrophobicContact CZ-CE1 4.35Å; F234-F303 AromaticContact CZ-CE2 3.6Å; F234-F303 HydrophobicContact CZ-CE2 3.6Å; F234-F303 AromaticContact CZ-CZ 3.75Å; F234-F303 HydrophobicContact CZ-CZ 3.75Å; I263-F303 HydrophobicContact CD1-CE2 4.47Å; I263-F303 HydrophobicContact CG2-CD2 4.14Å; I263-F303 HydrophobicContact CG2-CE2 3.88Å; Q264-F303 PolarHBondContact O-N 3.34Å; F265-F303 WeakPolarHBondContact CA-O 3.48Å; F265-F303 HydrophobicContact CD1-CB 3.58Å; F265-F303 HydrophobicContact CD1-CG 4.47Å; F265-F303 HydrophobicContact CE1-CB 3.49Å; F265-F303 VanDerWaalsContact CE1-CB 3.49Å; F265-F303 AromaticContact CE1-CG 3.99Å; F265-F303 HydrophobicContact CE1-CG 3.99Å; F265-F303 HydrophobicContact CE2-CD2 4.37Å; F265-F303 HydrophobicContact CG-CB 4.15Å; F265-F303 HydrophobicContact CZ-CB 4.04Å; F265-F303 HydrophobicContact CZ-CD2 4.25Å; F265-F303 HydrophobicContact CZ-CG 4.07Å; G266-F303 PolarHBondContact N-O 3.37Å; F276-F303 WeakPolarHBondContact CE2-O 3.05Å; A284-F303 HydrophobicContact CB-CD1 3.82Å; A284-F303 HydrophobicContact CB-CE1 4.2Å; A284-F303 HydrophobicContact CB-CG 4.31Å; A301-F303 HydrophobicContact CB-CE2 3.88Å; A301-F303 HydrophobicContact CB-CZ 4.32Å; F303-D305 PolarHBondContact O-N 3.05Å; F303-W309 HydrophobicContact CB-CZ2 3.97Å; F303-W309 HydrophobicContact CD1-CH2 4.14Å; F303-W309 HydrophobicContact CD1-CZ2 4.36Å; F303-L320 HydrophobicContact CD1-CD1 3.72Å; F303-L320 HydrophobicContact CE1-CD1 3.94Å; F303-L320 HydrophobicContact CG-CD1 4.4Å; F303-V323 HydrophobicContact CD1-CG1 4.09Å; F303-V323 HydrophobicContact CE1-CB 4.47Å; F303-V323 HydrophobicContact CE1-CG1 3.97Å; F303-A324 HydrophobicContact CE1-CB 3.97Å; F303-A324 HydrophobicContact CZ-CB 3.96Å; F303-E327 HydrophobicContact CE1-CB 4.44Å; F303-E327 HydrophobicContact CE1-CG 4.05Å; F303-E327 HydrophobicContact CZ-CB 4.08Å; F303-E327 HydrophobicContact CZ-CG 4.16Å
304	D	90.2	Very high	78.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	113.1	179.7	-170.4	3.2	0	0	0	110.5	G266 F276 G278 L283 D306 E307 W309	G266-D304 CarbonylContact O-C 3.51Å; G266-D304 WeakPolarHBondContact O-CA 3.46Å; F276-D304 HydrophobicContact CB-CB 4.21Å; F276-D304 HydrophobicContact CD1-CB 3.71Å; F276-D304 HydrophobicContact CD2-CB 3.95Å; F276-D304 HydrophobicContact CE1-CB 4.06Å; F276-D304 HydrophobicContact CE2-CB 4.24Å; F276-D304 HydrophobicContact CG-CB 3.68Å; F276-D304 HydrophobicContact CZ-CB 4.32Å; G278-D304 VanDerWaalsContact O-OD2 3.12Å; L283-D304 WeakPolarHBondContact O-CB 3.14Å; L283-D304 PolarHBondContact O-N 2.95Å; D304-D306 PolarHBondContact O-N 3Å; D304-D306 WeakPolarHBondContact OD1-CB 3.28Å; D304-D306 PolarHBondContact OD1-N 3.31Å; D304-E307 HydrophobicContact CB-CG 4.17Å; D304-E307 WeakPolarHBondContact O-CB 3.49Å; D304-E307 PolarHBondContact O-N 2.7Å; D304-W309 VanDerWaalsContact O-CE2 3.32Å; D304-W309 WeakPolarHBondContact O-CZ2 3.43Å; D304-W309 PolarHBondContact O-NE1 3.41Å
305	D	86.9	Confident	79.8	Confident	5 Å²	5	44.3 Å²	44.3	3%	0.027	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-8.3	179.3	-162.9	48.8	0	0	0	112.6	P221 S222 H223 F265 G266 F303	P221-D305 VanDerWaalsContact CA-OD1 3.29Å; P221-D305 WeakPolarHBondContact CA-OD1 3.1Å; S222-D305 WeakPolarHBondContact CB-OD2 3.17Å; S222-D305 PolarHBondContact N-OD1 2.82Å; S222-D305 VanDerWaalsContact OG-CG 3.22Å; S222-D305 PolarHBondContact OG-OD1 3.09Å; S222-D305 PolarHBondContact OG-OD2 3.5Å; H223-D305 PolarHBondContact CE1-O 3.1Å; F265-D305 HydrophobicContact CB-CB 4.16Å; G266-D305 PolarHBondContact O-N 3.47Å; F303-D305 PolarHBondContact O-N 3.05Å
306	D	83.6	Confident	80.8	Confident	69 Å²	69	41 Å²	41	37%	0.369	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.5	168.5	-68.7	-42.9	0	0	0	112.1	G278 A279 D304	G278-D306 WeakPolarHBondContact CA-OD2 3.43Å; A279-D306 WeakPolarHBondContact CB-O 3.47Å; D304-D306 PolarHBondContact O-N 3Å; D304-D306 WeakPolarHBondContact OD1-CB 3.28Å; D304-D306 PolarHBondContact OD1-N 3.31Å
307	E	87.7	Confident	81.7	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.019	20%	0.203	C	C	.	.	S	Bend	trans	-83.6	143	174.7	-75.6	-72.2	-166.2	0	0	113.3	H223 G280 L283 D304 W309 R318	H223-E307 PolarHBondContact NE2-O 3.11Å; G280-E307 VanDerWaalsContact CA-OE1 3.23Å; G280-E307 WeakPolarHBondContact CA-OE1 3.26Å; G280-E307 PolarHBondContact N-OE1 2.84Å; L283-E307 HydrophobicContact CD2-CG 3.83Å; L283-E307 WeakPolarHBondContact CD2-OE1 3.19Å; D304-E307 HydrophobicContact CB-CG 4.17Å; D304-E307 WeakPolarHBondContact O-CB 3.49Å; D304-E307 PolarHBondContact O-N 2.7Å; E307-W309 HydrophobicContact CB-CD2 4.43Å; E307-W309 HydrophobicContact CB-CZ2 3.9Å; E307-W309 HydrophobicContact CG-CZ2 4.47Å; E307-W309 PolarHBondContact O-N 2.82Å; E307-W309 VanDerWaalsContact O-N 3.11Å; E307-R318 HydrophobicContact CB-CG 4.03Å; E307-R318 HydrophobicContact CG-CG 4.05Å; E307-R318 IonicContact OE1-CZ 3.88Å; E307-R318 VanDerWaalsContact OE1-CZ 3.3Å; E307-R318 IonicContact OE1-NE 3.07Å; E307-R318 PolarHBondContact OE1-NE 2.63Å; E307-R318 IonicContact OE1-NH2 3.21Å; E307-R318 PolarHBondContact OE1-NH2 3.03Å; E307-R318 WeakPolarHBondContact OE2-CG 3.44Å; E307-R318 IonicContact OE2-CZ 3.37Å; E307-R318 IonicContact OE2-NE 3.87Å; E307-R318 PolarHBondContact OE2-NE 2.89Å; E307-R318 IonicContact OE2-NH1 3.91Å; E307-R318 IonicContact OE2-NH2 2.83Å; E307-R318 PolarHBondContact OE2-NH2 2.86Å
308	I	87	Confident	82.6	Confident	66 Å²	66	37.3 Å²	37.3	34%	0.338	20%	0.196	S	C	.	.			trans	-82.3	94.7	174.6	-52.9	180	0	0	0	109.1	S224 H317 R318	S224-I308 VanDerWaalsContact OG-CG2 3.31Å; S224-I308 WeakPolarHBondContact OG-CG2 3.45Å; I308-H317 HydrophobicContact CG2-CB 4.25Å; I308-H317 VanDerWaalsContact CG2-CD2 3.48Å; I308-H317 WeakPolarHBondContact CG2-CD2 3.1Å; I308-H317 CarbonylContact O-C 3.51Å; I308-H317 WeakPolarHBondContact O-CA 3.25Å; I308-H317 VanDerWaalsContact O-CB 3.24Å; I308-H317 WeakPolarHBondContact O-CB 3.49Å; I308-R318 PolarHBondContact O-N 2.99Å
309	W	88.7	Confident	83.1	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	145.7	-178.4	-62.5	102.9	0	0	0	114.2	P221 L225 F265 L283 F303 D304 E307 R318 L320 V323	P221-W309 HydrophobicContact CG-CB 4.5Å; L225-W309 HydrophobicContact CB-CB 4.24Å; L225-W309 HydrophobicContact CD2-CB 4.29Å; F265-W309 AromaticContact CD1-NE1 3.83Å; F265-W309 AromaticContact CE1-CD1 3.98Å; F265-W309 HydrophobicContact CE1-CD2 4.4Å; F265-W309 HydrophobicContact CE1-CG 4.34Å; F265-W309 AromaticContact CE1-NE1 3.79Å; L283-W309 HydrophobicContact CB-CH2 4.36Å; F303-W309 HydrophobicContact CB-CZ2 3.97Å; F303-W309 HydrophobicContact CD1-CH2 4.14Å; F303-W309 HydrophobicContact CD1-CZ2 4.36Å; D304-W309 VanDerWaalsContact O-CE2 3.32Å; D304-W309 WeakPolarHBondContact O-CZ2 3.43Å; D304-W309 PolarHBondContact O-NE1 3.41Å; E307-W309 HydrophobicContact CB-CD2 4.43Å; E307-W309 HydrophobicContact CB-CZ2 3.9Å; E307-W309 HydrophobicContact CG-CZ2 4.47Å; E307-W309 PolarHBondContact O-N 2.82Å; E307-W309 VanDerWaalsContact O-N 3.11Å; W309-R318 CarbonylContact C-O 3.59Å; W309-R318 WeakPolarHBondContact CA-O 3.33Å; W309-R318 HydrophobicContact CD2-CB 4.49Å; W309-R318 HydrophobicContact CE3-CB 3.76Å; W309-R318 HydrophobicContact CZ3-CB 3.8Å; W309-L320 HydrophobicContact CD2-CD1 4.01Å; W309-L320 HydrophobicContact CE3-CB 3.81Å; W309-L320 HydrophobicContact CE3-CD1 3.63Å; W309-L320 HydrophobicContact CE3-CG 4.3Å; W309-L320 HydrophobicContact CH2-CD1 4.41Å; W309-L320 HydrophobicContact CZ3-CB 4.45Å; W309-L320 HydrophobicContact CZ3-CD1 3.84Å; W309-V323 HydrophobicContact CH2-CB 4.24Å; W309-V323 HydrophobicContact CH2-CG1 4.07Å; W309-V323 HydrophobicContact CH2-CG2 4.24Å; W309-V323 HydrophobicContact CZ3-CB 3.98Å; W309-V323 HydrophobicContact CZ3-CG1 4.33Å; W309-V323 HydrophobicContact CZ3-CG2 3.87Å
310	N	88.5	Confident	83.4	Confident	13 Å²	13	36.8 Å²	36.8	7%	0.07	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	173.4	169.7	78	46.5	0	0	0	110.8	G312 H314 H317 R318 N319 L320	N310-G312 PolarHBondContact OD1-N 3.33Å; N310-G312 VanDerWaalsContact OD1-N 3.09Å; N310-G312 PolarHBondContact OD1-O 3.03Å; N310-H314 WeakPolarHBondContact ND2-CB 3.17Å; N310-H317 HydrophobicContact CB-CB 4.07Å; N310-H317 WeakPolarHBondContact ND2-CB 3.31Å; N310-R318 PolarHBondContact N-O 2.75Å; N310-N319 WeakPolarHBondContact OD1-CA 3.47Å; N310-L320 WeakPolarHBondContact O-CB 3.19Å; N310-L320 PolarHBondContact O-N 3.03Å
311	D	83.8	Confident	83.5	Confident	28 Å²	28	37.7 Å²	37.7	15%	0.15	20%	0.196	C	C	.	.	S	Bend	trans	-125.8	19.7	172.7	64.5	-10.8	0	0	0	113.8	L225 R229 V233 I321	L225-D311 HydrophobicContact CD1-CB 4.18Å; R229-D311 IonicContact CZ-OD1 2.81Å; R229-D311 IonicContact CZ-OD2 2.76Å; R229-D311 IonicContact NE-OD1 3.81Å; R229-D311 IonicContact NE-OD2 3.17Å; R229-D311 PolarHBondContact NE-OD2 3.06Å; R229-D311 IonicContact NH2-OD1 2.83Å; R229-D311 PolarHBondContact NH2-OD1 3.04Å; R229-D311 IonicContact NH2-OD2 3.94Å; R229-D311 PolarHBondContact NH2-OD2 2.7Å; V233-D311 HydrophobicContact CG2-CB 3.46Å; V233-D311 VanDerWaalsContact CG2-CB 3.46Å; D311-I321 HydrophobicContact CB-CD1 4.36Å; D311-I321 HydrophobicContact CB-CG1 4.42Å; D311-I321 WeakPolarHBondContact O-CD1 3.41Å
312	G	76.8	Confident	83.4	Confident	17 Å²	17	38.7 Å²	38.7	18%	0.175	20%	0.203	C	C	.	.	S	Bend	trans	-146.2	-172.7	-172	0	0	0	0	0	114.4	N310 H314 N319	N310-G312 PolarHBondContact OD1-N 3.33Å; N310-G312 VanDerWaalsContact OD1-N 3.09Å; N310-G312 PolarHBondContact OD1-O 3.03Å; G312-H314 VanDerWaalsContact C-N 3.32Å; G312-H314 PolarHBondContact O-N 2.88Å; G312-N319 PolarHBondContact O-ND2 3.49Å
313	P	66	Low	83.6	Confident	92 Å²	92	39 Å²	39	60%	0.597	21%	0.205	S	C	*	.			trans	-69.5	82.4	177.6	26.4	-33.1	0	0	0	111.5	W352	P313-W352 HydrophobicContact CB-CD2 4.33Å; P313-W352 HydrophobicContact CB-CZ2 3.88Å; P313-W352 HydrophobicContact CG-CZ2 3.99Å
314	H	64.3	Low	83.8	Confident	93 Å²	93	39 Å²	39	43%	0.431	21%	0.205	S	C	.	.			trans	-117.8	133.8	169.1	-147.4	-100.2	0	0	0	110.7	N310 G312 T316 H317	N310-H314 WeakPolarHBondContact ND2-CB 3.17Å; G312-H314 VanDerWaalsContact C-N 3.32Å; G312-H314 PolarHBondContact O-N 2.88Å; H314-T316 PolarHBondContact CE1-OG1 2.93Å; H314-T316 PolarHBondContact ND1-OG1 2.97Å; H314-H317 HydrophobicContact CB-CB 4.05Å; H314-H317 AromaticContact CE1-CD2 3.6Å; H314-H317 AromaticContact CE1-CE1 3.34Å; H314-H317 PolarHBondContact CE1-CE1 2.81Å; H314-H317 AromaticContact CE1-CG 3.8Å; H314-H317 AromaticContact CE1-ND1 3.66Å; H314-H317 AromaticContact CE1-NE2 3.26Å; H314-H317 PolarHBondContact CE1-NE2 2.68Å; H314-H317 VanDerWaalsContact CE1-NE2 3.26Å; H314-H317 AromaticContact CG-CG 3.92Å; H314-H317 AromaticContact CG-ND1 3.81Å; H314-H317 AromaticContact ND1-CD2 3.34Å; H314-H317 PolarHBondContact ND1-CD2 2.9Å; H314-H317 VanDerWaalsContact ND1-CD2 3.34Å; H314-H317 AromaticContact ND1-CE1 3.55Å; H314-H317 AromaticContact ND1-CG 3.22Å; H314-H317 AromaticContact ND1-ND1 3.37Å; H314-H317 PolarHBondContact ND1-ND1 3.3Å; H314-H317 AromaticContact ND1-NE2 3.51Å; H314-H317 AromaticContact NE2-CE1 3.93Å
315	K	63.2	Low	84	Confident	187 Å²	187	39 Å²	39	81%	0.813	21%	0.205	S	C	*	.	S	Bend	trans	-81.2	-22.7	-176.3	-67.1	-175.7	-179.7	178.7	0	114
316	T	68.8	Low	84.5	Confident	96 Å²	96	39.3 Å²	39.3	59%	0.589	21%	0.206	S	C	*	.	S	Bend	trans	-107.2	-15.2	-173.8	57.5	0	0	0	0	114.1	H314	H314-T316 PolarHBondContact CE1-OG1 2.93Å; H314-T316 PolarHBondContact ND1-OG1 2.97Å
317	H	82.3	Confident	85.1	Confident	50 Å²	50	36.1 Å²	36.1	23%	0.231	19%	0.189	C	C	.	.	S	Bend	trans	-104.8	163.8	-175.3	-65.9	177.4	0	0	0	109.9	I308 N310 H314	I308-H317 HydrophobicContact CG2-CB 4.25Å; I308-H317 VanDerWaalsContact CG2-CD2 3.48Å; I308-H317 WeakPolarHBondContact CG2-CD2 3.1Å; I308-H317 CarbonylContact O-C 3.51Å; I308-H317 WeakPolarHBondContact O-CA 3.25Å; I308-H317 VanDerWaalsContact O-CB 3.24Å; I308-H317 WeakPolarHBondContact O-CB 3.49Å; N310-H317 HydrophobicContact CB-CB 4.07Å; N310-H317 WeakPolarHBondContact ND2-CB 3.31Å; H314-H317 HydrophobicContact CB-CB 4.05Å; H314-H317 AromaticContact CE1-CD2 3.6Å; H314-H317 AromaticContact CE1-CE1 3.34Å; H314-H317 PolarHBondContact CE1-CE1 2.81Å; H314-H317 AromaticContact CE1-CG 3.8Å; H314-H317 AromaticContact CE1-ND1 3.66Å; H314-H317 AromaticContact CE1-NE2 3.26Å; H314-H317 PolarHBondContact CE1-NE2 2.68Å; H314-H317 VanDerWaalsContact CE1-NE2 3.26Å; H314-H317 AromaticContact CG-CG 3.92Å; H314-H317 AromaticContact CG-ND1 3.81Å; H314-H317 AromaticContact ND1-CD2 3.34Å; H314-H317 PolarHBondContact ND1-CD2 2.9Å; H314-H317 VanDerWaalsContact ND1-CD2 3.34Å; H314-H317 AromaticContact ND1-CE1 3.55Å; H314-H317 AromaticContact ND1-CG 3.22Å; H314-H317 AromaticContact ND1-ND1 3.37Å; H314-H317 PolarHBondContact ND1-ND1 3.3Å; H314-H317 AromaticContact ND1-NE2 3.51Å; H314-H317 AromaticContact NE2-CE1 3.93Å
318	R	85	Confident	85.6	Confident	37 Å²	37	36 Å²	36	14%	0.14	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	132	175.3	-59.1	-60	179.6	-81.5	-15.8	110.6	L283 E307 I308 W309 N310 L320	L283-R318 HydrophobicContact CD2-CG 4.14Å; E307-R318 HydrophobicContact CB-CG 4.03Å; E307-R318 HydrophobicContact CG-CG 4.05Å; E307-R318 IonicContact OE1-CZ 3.88Å; E307-R318 VanDerWaalsContact OE1-CZ 3.3Å; E307-R318 IonicContact OE1-NE 3.07Å; E307-R318 PolarHBondContact OE1-NE 2.63Å; E307-R318 IonicContact OE1-NH2 3.21Å; E307-R318 PolarHBondContact OE1-NH2 3.03Å; E307-R318 WeakPolarHBondContact OE2-CG 3.44Å; E307-R318 IonicContact OE2-CZ 3.37Å; E307-R318 IonicContact OE2-NE 3.87Å; E307-R318 PolarHBondContact OE2-NE 2.89Å; E307-R318 IonicContact OE2-NH1 3.91Å; E307-R318 IonicContact OE2-NH2 2.83Å; E307-R318 PolarHBondContact OE2-NH2 2.86Å; I308-R318 PolarHBondContact O-N 2.99Å; W309-R318 CarbonylContact C-O 3.59Å; W309-R318 WeakPolarHBondContact CA-O 3.33Å; W309-R318 HydrophobicContact CD2-CB 4.49Å; W309-R318 HydrophobicContact CE3-CB 3.76Å; W309-R318 HydrophobicContact CZ3-CB 3.8Å; N310-R318 PolarHBondContact N-O 2.75Å; R318-L320 PolarHBondContact O-N 3.45Å
319	N	89.6	Confident	86	Confident	4 Å²	4	32.8 Å²	32.8	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	109.7	176.4	-173.8	-68.4	0	0	0	110.4	N310 G312 I321 S322 V323 Y348 W352	N310-N319 WeakPolarHBondContact OD1-CA 3.47Å; G312-N319 PolarHBondContact O-ND2 3.49Å; N319-I321 VanDerWaalsContact C-N 3.31Å; N319-I321 PolarHBondContact O-N 2.98Å; N319-I321 WeakPolarHBondContact OD1-CA 3.28Å; N319-I321 VanDerWaalsContact OD1-CB 3.29Å; N319-I321 WeakPolarHBondContact OD1-CB 3.4Å; N319-I321 PolarHBondContact OD1-N 2.82Å; N319-S322 PolarHBondContact O-N 2.89Å; N319-S322 PolarHBondContact OD1-N 3.04Å; N319-V323 PolarHBondContact O-N 3Å; N319-Y348 VanDerWaalsContact CB-OH 3.27Å; N319-Y348 WeakPolarHBondContact CB-OH 3.45Å; N319-Y348 PolarHBondContact N-OH 2.8Å; N319-W352 VanDerWaalsContact ND2-CB 3.25Å; N319-W352 WeakPolarHBondContact ND2-CB 3.3Å
320	L	92.6	Very high	86.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.3	-31	-177.8	-175.2	61.7	0	0	0	112.2	L225 A230 V233 F234 F265 F303 W309 N310 R318 S322 V323 A324	L225-L320 HydrophobicContact CD2-CB 4.3Å; L225-L320 HydrophobicContact CD2-CD2 3.5Å; L225-L320 VanDerWaalsContact CD2-CD2 3.5Å; A230-L320 HydrophobicContact CB-CD2 4.4Å; V233-L320 HydrophobicContact CB-CD2 4.33Å; V233-L320 HydrophobicContact CG1-CB 4.18Å; V233-L320 HydrophobicContact CG1-CD2 4.03Å; V233-L320 HydrophobicContact CG1-CG 3.8Å; F234-L320 HydrophobicContact CE2-CD2 4.14Å; F234-L320 HydrophobicContact CZ-CD1 4.36Å; F265-L320 HydrophobicContact CE1-CD1 4.05Å; F265-L320 HydrophobicContact CE1-CD2 4.49Å; F265-L320 HydrophobicContact CZ-CD1 3.91Å; F265-L320 HydrophobicContact CZ-CD2 3.96Å; F303-L320 HydrophobicContact CD1-CD1 3.72Å; F303-L320 HydrophobicContact CE1-CD1 3.94Å; F303-L320 HydrophobicContact CG-CD1 4.4Å; W309-L320 HydrophobicContact CD2-CD1 4.01Å; W309-L320 HydrophobicContact CE3-CB 3.81Å; W309-L320 HydrophobicContact CE3-CD1 3.63Å; W309-L320 HydrophobicContact CE3-CG 4.3Å; W309-L320 HydrophobicContact CH2-CD1 4.41Å; W309-L320 HydrophobicContact CZ3-CB 4.45Å; W309-L320 HydrophobicContact CZ3-CD1 3.84Å; N310-L320 WeakPolarHBondContact O-CB 3.19Å; N310-L320 PolarHBondContact O-N 3.03Å; R318-L320 PolarHBondContact O-N 3.45Å; L320-S322 VanDerWaalsContact C-N 3.34Å; L320-S322 PolarHBondContact O-N 3.4Å; L320-V323 PolarHBondContact O-N 3.1Å; L320-A324 WeakPolarHBondContact O-CB 3.44Å; L320-A324 PolarHBondContact O-N 3.37Å
321	I	91.9	Very high	86.6	Confident	29 Å²	29	32.1 Å²	32.1	15%	0.149	17%	0.169	C	C	.	.	H	α-helix	trans	-61.4	-46	178.5	-55.3	171.6	0	0	0	110.2	V233 T237 D311 N319 A325 V355	V233-I321 HydrophobicContact CB-CG1 4.36Å; V233-I321 HydrophobicContact CG1-CB 4.33Å; V233-I321 HydrophobicContact CG1-CG1 3.79Å; V233-I321 HydrophobicContact CG2-CG1 3.83Å; T237-I321 HydrophobicContact CG2-CG2 3.9Å; T237-I321 WeakPolarHBondContact CG2-O 3.35Å; D311-I321 HydrophobicContact CB-CD1 4.36Å; D311-I321 HydrophobicContact CB-CG1 4.42Å; D311-I321 WeakPolarHBondContact O-CD1 3.41Å; N319-I321 VanDerWaalsContact C-N 3.31Å; N319-I321 PolarHBondContact O-N 2.98Å; N319-I321 WeakPolarHBondContact OD1-CA 3.28Å; N319-I321 VanDerWaalsContact OD1-CB 3.29Å; N319-I321 WeakPolarHBondContact OD1-CB 3.4Å; N319-I321 PolarHBondContact OD1-N 2.82Å; I321-A325 VanDerWaalsContact O-CB 3.26Å; I321-A325 WeakPolarHBondContact O-CB 3.26Å; I321-A325 PolarHBondContact O-N 3Å; I321-V355 HydrophobicContact CG2-CB 4.44Å; I321-V355 HydrophobicContact CG2-CG1 3.92Å
322	S	91.6	Very high	87.1	Confident	20 Å²	20	30.9 Å²	30.9	14%	0.14	16%	0.162	C	C	.	.	H	α-helix	trans	-64.7	-45	179.7	-175.4	0	0	0	0	112.3	N319 L320 H326	N319-S322 PolarHBondContact O-N 2.89Å; N319-S322 PolarHBondContact OD1-N 3.04Å; L320-S322 VanDerWaalsContact C-N 3.34Å; L320-S322 PolarHBondContact O-N 3.4Å; S322-H326 PolarHBondContact O-N 3.35Å
323	V	94.9	Very high	87.8	Confident	7 Å²	7	30.1 Å²	30.1	4%	0.042	15%	0.154	C	C	.	.	H	α-helix	trans	-71.8	-45	-178.2	-176.6	0	0	0	0	110.2	L283 A284 F303 W309 N319 L320 A325 H326 E327 Y348	L283-V323 HydrophobicContact CB-CG1 4.29Å; L283-V323 HydrophobicContact CD1-CG2 3.9Å; A284-V323 HydrophobicContact CB-CG1 3.54Å; F303-V323 HydrophobicContact CD1-CG1 4.09Å; F303-V323 HydrophobicContact CE1-CB 4.47Å; F303-V323 HydrophobicContact CE1-CG1 3.97Å; W309-V323 HydrophobicContact CH2-CB 4.24Å; W309-V323 HydrophobicContact CH2-CG1 4.07Å; W309-V323 HydrophobicContact CH2-CG2 4.24Å; W309-V323 HydrophobicContact CZ3-CB 3.98Å; W309-V323 HydrophobicContact CZ3-CG1 4.33Å; W309-V323 HydrophobicContact CZ3-CG2 3.87Å; N319-V323 PolarHBondContact O-N 3Å; L320-V323 PolarHBondContact O-N 3.1Å; V323-A325 PolarHBondContact O-N 3.02Å; V323-H326 WeakPolarHBondContact O-CB 3.46Å; V323-H326 PolarHBondContact O-N 2.81Å; V323-H326 VanDerWaalsContact O-N 3.1Å; V323-E327 HydrophobicContact CG1-CG 4.17Å; V323-E327 WeakPolarHBondContact O-CG 3.48Å; V323-E327 PolarHBondContact O-N 3.02Å; V323-Y348 HydrophobicContact CG2-CD2 3.77Å; V323-Y348 HydrophobicContact CG2-CE2 3.88Å
324	A	96.1	Very high	89.1	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.4	-39.9	177.8	0	0	0	0	0	112.5	V233 F234 T237 F303 L320 H326 E327 L328	V233-A324 HydrophobicContact CG1-CB 4.49Å; F234-A324 HydrophobicContact CD1-CB 4.16Å; F234-A324 HydrophobicContact CE1-CB 3.67Å; F234-A324 HydrophobicContact CZ-CB 4.24Å; T237-A324 HydrophobicContact CG2-CB 4.08Å; F303-A324 HydrophobicContact CE1-CB 3.97Å; F303-A324 HydrophobicContact CZ-CB 3.96Å; L320-A324 WeakPolarHBondContact O-CB 3.44Å; L320-A324 PolarHBondContact O-N 3.37Å; A324-H326 VanDerWaalsContact C-N 3.28Å; A324-H326 PolarHBondContact O-N 3.43Å; A324-E327 PolarHBondContact O-N 2.86Å; A324-L328 VanDerWaalsContact O-CB 3.28Å; A324-L328 WeakPolarHBondContact O-CB 3.39Å; A324-L328 WeakPolarHBondContact O-CG 3.49Å; A324-L328 PolarHBondContact O-N 3.09Å
325	A	95.7	Very high	90.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60	-39.1	174.5	0	0	0	0	0	112.3	T237 L240 W241 I321 V323 G329 I343 V355	T237-A325 HydrophobicContact CG2-CB 4.12Å; L240-A325 HydrophobicContact CD2-CB 4.01Å; W241-A325 WeakPolarHBondContact CZ2-O 3.1Å; W241-A325 PolarHBondContact NE1-O 3.09Å; I321-A325 VanDerWaalsContact O-CB 3.26Å; I321-A325 WeakPolarHBondContact O-CB 3.26Å; I321-A325 PolarHBondContact O-N 3Å; V323-A325 PolarHBondContact O-N 3.02Å; A325-G329 PolarHBondContact O-N 2.9Å; A325-I343 HydrophobicContact CB-CD1 4.08Å; A325-I343 HydrophobicContact CB-CG2 3.92Å; A325-V355 HydrophobicContact CB-CG1 4.34Å
326	H	95.9	Very high	91.7	Very high	11 Å²	11	14.2 Å²	14.2	5%	0.051	8%	0.077	C	C	.	.	H	α-helix	trans	-65.6	-55.1	175.8	-176.6	105.4	0	0	0	111.9	C141 S322 V323 A324 L328 G329 H330 H336 I343 M344 Y345	C141-H326 WeakPolarHBondContact CB-NE2 3.26Å; S322-H326 PolarHBondContact O-N 3.35Å; V323-H326 WeakPolarHBondContact O-CB 3.46Å; V323-H326 PolarHBondContact O-N 2.81Å; V323-H326 VanDerWaalsContact O-N 3.1Å; A324-H326 VanDerWaalsContact C-N 3.28Å; A324-H326 PolarHBondContact O-N 3.43Å; H326-L328 VanDerWaalsContact C-N 3.33Å; H326-L328 PolarHBondContact O-N 2.73Å; H326-G329 WeakPolarHBondContact O-CA 3.37Å; H326-G329 PolarHBondContact O-N 3.22Å; H326-H330 AromaticContact CD2-CD2 3.82Å; H326-H330 AromaticContact CD2-NE2 3.72Å; H326-H330 AromaticContact NE2-CD2 3.86Å; H326-H330 AromaticContact NE2-NE2 3.25Å; H326-H330 PolarHBondContact NE2-NE2 3.18Å; H326-H330 PolarHBondContact O-N 3.01Å; H326-H336 AromaticContact CE1-CD2 3.8Å; H326-H336 AromaticContact NE2-CD2 3.55Å; H326-H336 AromaticContact NE2-NE2 3.6Å; H326-I343 HydrophobicContact CB-CG2 4.2Å; H326-I343 PolarHBondContact ND1-O 2.82Å; H326-M344 VanDerWaalsContact CE1-C 3.49Å; H326-M344 PolarHBondContact CE1-O 3Å; H326-M344 VanDerWaalsContact O-SD 3.4Å; H326-Y345 PolarHBondContact CE1-O 3.45Å; H326-Y345 PolarHBondContact ND1-O 2.79Å
327	E	97.3	Very high	92.7	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.009	5%	0.051	C	C	.	.	H	α-helix	trans	-63.3	-38.4	-177.1	-61	-47.3	142.9	0	0	112.4	C141 A284 H285 A286 A301 F303 V323 A324 G329 H330 S331	C141-E327 PolarHBondContact SG-OE1 3.09Å; C141-E327 PolarHBondContact SG-OE2 2.71Å; C141-E327 VanDerWaalsContact SG-OE2 3.4Å; A284-E327 HydrophobicContact CB-CG 3.5Å; A284-E327 VanDerWaalsContact CB-CG 3.5Å; H285-E327 WeakPolarHBondContact CA-OE2 3.31Å; A286-E327 HydrophobicContact CB-CB 3.98Å; A286-E327 WeakPolarHBondContact CB-O 3.38Å; A286-E327 PolarHBondContact N-OE2 3.33Å; A301-E327 HydrophobicContact CB-CB 4.14Å; F303-E327 HydrophobicContact CE1-CB 4.44Å; F303-E327 HydrophobicContact CE1-CG 4.05Å; F303-E327 HydrophobicContact CZ-CB 4.08Å; F303-E327 HydrophobicContact CZ-CG 4.16Å; V323-E327 HydrophobicContact CG1-CG 4.17Å; V323-E327 WeakPolarHBondContact O-CG 3.48Å; V323-E327 PolarHBondContact O-N 3.02Å; A324-E327 PolarHBondContact O-N 2.86Å; E327-G329 PolarHBondContact O-N 3.09Å; E327-H330 WeakPolarHBondContact O-CA 3.46Å; E327-H330 VanDerWaalsContact O-CB 3.31Å; E327-H330 WeakPolarHBondContact O-CB 3.41Å; E327-H330 PolarHBondContact O-N 2.8Å; E327-H330 IonicContact OE2-CD2 2.97Å; E327-S331 PolarHBondContact O-N 3.1Å; E327-S331 PolarHBondContact O-OG 3.19Å
328	L	97.2	Very high	93	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-63.2	-29.3	173.1	-69.6	-179.9	0	0	0	112	T237 F238 I261 I263 A324 H326 H330 S331 L332	T237-L328 WeakPolarHBondContact OG1-CD1 3.19Å; F238-L328 HydrophobicContact CD1-CD1 4.07Å; F238-L328 HydrophobicContact CD2-CD1 4.17Å; F238-L328 HydrophobicContact CE1-CD1 4.06Å; F238-L328 HydrophobicContact CE1-CD2 3.72Å; F238-L328 HydrophobicContact CE1-CG 4.49Å; F238-L328 HydrophobicContact CE2-CD1 4.12Å; F238-L328 HydrophobicContact CE2-CD2 4.18Å; F238-L328 HydrophobicContact CG-CD1 4.12Å; F238-L328 HydrophobicContact CZ-CD1 4.07Å; F238-L328 HydrophobicContact CZ-CD2 3.5Å; F238-L328 VanDerWaalsContact CZ-CD2 3.5Å; F238-L328 HydrophobicContact CZ-CG 4.46Å; I261-L328 HydrophobicContact CG2-CD2 4.3Å; I263-L328 HydrophobicContact CD1-CD2 4Å; A324-L328 VanDerWaalsContact O-CB 3.28Å; A324-L328 WeakPolarHBondContact O-CB 3.39Å; A324-L328 WeakPolarHBondContact O-CG 3.49Å; A324-L328 PolarHBondContact O-N 3.09Å; H326-L328 VanDerWaalsContact C-N 3.33Å; H326-L328 PolarHBondContact O-N 2.73Å; L328-H330 VanDerWaalsContact C-N 3.3Å; L328-H330 PolarHBondContact O-N 3.34Å; L328-S331 WeakPolarHBondContact O-CB 3.39Å; L328-S331 PolarHBondContact O-N 2.71Å; L328-L332 WeakPolarHBondContact O-CG 3.42Å; L328-L332 PolarHBondContact O-N 3.01Å
329	G	96.3	Very high	93.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60.1	-40.9	170.9	0	0	0	0	0	112.2	A325 H326 E327 L332 G333 L334	A325-G329 PolarHBondContact O-N 2.9Å; H326-G329 WeakPolarHBondContact O-CA 3.37Å; H326-G329 PolarHBondContact O-N 3.22Å; E327-G329 PolarHBondContact O-N 3.09Å; G329-L332 CarbonylContact O-C 3.51Å; G329-L332 PolarHBondContact O-N 3.25Å; G329-G333 PolarHBondContact O-N 2.79Å; G329-L334 VanDerWaalsContact O-CB 3.32Å; G329-L334 WeakPolarHBondContact O-CB 3.29Å; G329-L334 PolarHBondContact O-N 2.92Å
330	H	94.1	Very high	93.2	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65	-44.7	171.9	-68.5	-48.8	0	0	0	112.7	N143 A286 Y288 H326 E327 L328 L332 G333 L334 H336 M344	N143-H330 PolarHBondContact ND2-CD2 3.43Å; N143-H330 PolarHBondContact ND2-NE2 3.42Å; A286-H330 HydrophobicContact CB-CB 3.77Å; Y288-H330 AromaticContact CZ-ND1 3.93Å; H326-H330 AromaticContact CD2-CD2 3.82Å; H326-H330 AromaticContact CD2-NE2 3.72Å; H326-H330 AromaticContact NE2-CD2 3.86Å; H326-H330 AromaticContact NE2-NE2 3.25Å; H326-H330 PolarHBondContact NE2-NE2 3.18Å; H326-H330 PolarHBondContact O-N 3.01Å; E327-H330 WeakPolarHBondContact O-CA 3.46Å; E327-H330 VanDerWaalsContact O-CB 3.31Å; E327-H330 WeakPolarHBondContact O-CB 3.41Å; E327-H330 PolarHBondContact O-N 2.8Å; E327-H330 IonicContact OE2-CD2 2.97Å; L328-H330 VanDerWaalsContact C-N 3.3Å; L328-H330 PolarHBondContact O-N 3.34Å; H330-L332 PolarHBondContact O-N 2.05Å; H330-G333 PolarHBondContact O-N 3.24Å; H330-L334 WeakPolarHBondContact CA-O 3.09Å; H330-L334 PolarHBondContact ND1-O 3.15Å; H330-H336 AromaticContact CE1-CD2 3.44Å; H330-H336 PolarHBondContact CE1-CD2 2.91Å; H330-H336 VanDerWaalsContact CE1-CD2 3.44Å; H330-H336 AromaticContact CE1-NE2 3.85Å; H330-H336 AromaticContact NE2-CD2 3.38Å; H330-H336 PolarHBondContact NE2-CD2 3.49Å; H330-H336 AromaticContact NE2-NE2 3.42Å; H330-H336 PolarHBondContact NE2-NE2 3.43Å; H330-M344 WeakPolarHBondContact CE1-CE 3.13Å; H330-M344 WeakPolarHBondContact ND1-CE 3.35Å
331	S	94.8	Very high	93.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-55.4	-24.6	172.9	-57.8	0	0	0	0	112.8	W208 P289 G299 E327 L328	W208-S331 PolarHBondContact NE1-O 2.79Å; P289-S331 WeakPolarHBondContact CD-O 3.4Å; G299-S331 WeakPolarHBondContact O-CB 3.24Å; G299-S331 PolarHBondContact O-OG 2.99Å; E327-S331 PolarHBondContact O-N 3.1Å; E327-S331 PolarHBondContact O-OG 3.19Å; L328-S331 WeakPolarHBondContact O-CB 3.39Å; L328-S331 PolarHBondContact O-N 2.71Å
332	L	94.5	Very high	93.1	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-4.3	176.4	-60.1	176	0	0	0	114	L213 W241 L247 F249 L328 G329 H330 I365 Y369	L213-L332 HydrophobicContact CD1-CD2 4.12Å; W241-L332 HydrophobicContact CB-CD1 3.88Å; W241-L332 HydrophobicContact CD2-CD1 3.9Å; W241-L332 HydrophobicContact CE3-CD1 4.26Å; W241-L332 HydrophobicContact CG-CD1 3.73Å; L247-L332 HydrophobicContact CD1-CD2 3.94Å; F249-L332 HydrophobicContact CE1-CD2 3.57Å; F249-L332 HydrophobicContact CZ-CD1 3.92Å; F249-L332 HydrophobicContact CZ-CD2 3.52Å; F249-L332 HydrophobicContact CZ-CG 4.35Å; L328-L332 WeakPolarHBondContact O-CG 3.42Å; L328-L332 PolarHBondContact O-N 3.01Å; G329-L332 CarbonylContact O-C 3.51Å; G329-L332 PolarHBondContact O-N 3.25Å; H330-L332 PolarHBondContact O-N 2.05Å; L332-I365 HydrophobicContact CB-CD1 3.73Å; L332-I365 HydrophobicContact CD1-CD1 4.19Å; L332-Y369 HydrophobicContact CB-CE2 4.34Å; L332-Y369 WeakPolarHBondContact O-CE2 3.27Å; L332-Y369 VanDerWaalsContact O-CZ 3.27Å; L332-Y369 PolarHBondContact O-OH 3.47Å
333	G	91.8	Very high	93.2	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.01	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.9	9.2	176.3	0	0	0	0	0	115.3	G329 H330	G329-G333 PolarHBondContact O-N 2.79Å; H330-G333 PolarHBondContact O-N 3.24Å
334	L	92.7	Very high	93.2	Very high	6 Å²	6	17.6 Å²	17.6	3%	0.031	11%	0.11	C	C	.	.			trans	-80.5	143.1	171.3	-63.1	173.6	0	0	0	110.9	W241 Y288 G329 H330 M344 I365 I368	W241-L334 HydrophobicContact CH2-CD1 3.2Å; W241-L334 HydrophobicContact CZ2-CD1 4.1Å; W241-L334 HydrophobicContact CZ3-CD1 3.52Å; Y288-L334 VanDerWaalsContact CE1-O 3.24Å; Y288-L334 WeakPolarHBondContact CE1-O 3.42Å; G329-L334 VanDerWaalsContact O-CB 3.32Å; G329-L334 WeakPolarHBondContact O-CB 3.29Å; G329-L334 PolarHBondContact O-N 2.92Å; H330-L334 WeakPolarHBondContact CA-O 3.09Å; H330-L334 PolarHBondContact ND1-O 3.15Å; L334-M344 HydrophobicContact CB-CE 3.93Å; L334-M344 HydrophobicContact CB-CG 4.14Å; L334-M344 HydrophobicContact CB-SD 4.18Å; L334-M344 HydrophobicContact CD1-CG 3.89Å; L334-M344 HydrophobicContact CD1-SD 4.16Å; L334-I365 HydrophobicContact CD1-CB 4.18Å; L334-I365 HydrophobicContact CD1-CD1 4.05Å; L334-I365 HydrophobicContact CD2-CB 4.33Å; L334-I365 HydrophobicContact CD2-CD1 4.3Å; L334-I365 HydrophobicContact CG-CD1 3.95Å; L334-I368 HydrophobicContact CD2-CD1 3.91Å
335	G	90.4	Very high	93	Very high	7 Å²	7	19 Å²	19	7%	0.072	12%	0.115	C	C	.	.			trans	-95.3	178.1	166.1	0	0	0	0	0	111.6	Y288	Y288-G335 WeakPolarHBondContact OH-CA 3.29Å
336	H	92.3	Very high	92.9	Very high	26 Å²	26	19.3 Å²	19.3	12%	0.12	12%	0.117	C	C	.	.			trans	-56.9	140.6	173.2	-70.4	163.5	0	0	0	112.2	N143 D145 H326 H330 M344 P346	N143-H336 PolarHBondContact O-CE1 3.43Å; D145-H336 IonicContact OD1-CE1 3.87Å; D145-H336 PolarHBondContact OD1-CE1 3.35Å; D145-H336 IonicContact OD1-ND1 3.94Å; D145-H336 PolarHBondContact OD1-ND1 2.98Å; H326-H336 AromaticContact CE1-CD2 3.8Å; H326-H336 AromaticContact NE2-CD2 3.55Å; H326-H336 AromaticContact NE2-NE2 3.6Å; H330-H336 AromaticContact CE1-CD2 3.44Å; H330-H336 PolarHBondContact CE1-CD2 2.91Å; H330-H336 VanDerWaalsContact CE1-CD2 3.44Å; H330-H336 AromaticContact CE1-NE2 3.85Å; H330-H336 AromaticContact NE2-CD2 3.38Å; H330-H336 PolarHBondContact NE2-CD2 3.49Å; H330-H336 AromaticContact NE2-NE2 3.42Å; H330-H336 PolarHBondContact NE2-NE2 3.43Å; H336-M344 CarbonylContact C-O 3.34Å; H336-M344 VanDerWaalsContact CA-O 3.26Å; H336-M344 WeakPolarHBondContact CA-O 3.49Å; H336-P346 HydrophobicContact CB-CG 3.79Å
337	S	90.6	Very high	92.7	Very high	5 Å²	5	19.5 Å²	19.5	4%	0.035	12%	0.117	C	C	.	.			trans	-94.2	149	170.5	-177.1	0	0	0	0	111.1	V339 M344 P346 D360	S337-V339 VanDerWaalsContact C-N 3.31Å; S337-V339 WeakPolarHBondContact OG-CB 3.25Å; S337-V339 PolarHBondContact OG-N 2.84Å; S337-M344 PolarHBondContact N-O 2.89Å; S337-P346 WeakPolarHBondContact O-CD 3.22Å; S337-D360 WeakPolarHBondContact CB-OD2 3.47Å; S337-D360 PolarHBondContact OG-OD2 3.48Å
338	S	88.6	Confident	92.4	Very high	67 Å²	67	21.4 Å²	21.4	47%	0.469	13%	0.125	S	C	.	.	S	Bend	trans	-86.1	-3.9	169.7	62.4	0	0	0	0	113.1	P340	S338-P340 WeakPolarHBondContact O-CD 3.33Å
339	V	89.2	Confident	91.7	Very high	40 Å²	40	24.1 Å²	24.1	24%	0.242	14%	0.142	C	C	.	.			trans	-86.1	115.3	-178.8	178	0	0	0	0	108.7	S337 T341 A342 D360	S337-V339 VanDerWaalsContact C-N 3.31Å; S337-V339 WeakPolarHBondContact OG-CB 3.25Å; S337-V339 PolarHBondContact OG-N 2.84Å; V339-T341 WeakPolarHBondContact CG1-OG1 3.16Å; V339-T341 PolarHBondContact O-N 3.3Å; V339-T341 VanDerWaalsContact O-N 3.09Å; V339-A342 HydrophobicContact CB-CB 3.98Å; V339-A342 HydrophobicContact CG1-CB 4.31Å; V339-A342 VanDerWaalsContact O-CB 3.29Å; V339-A342 WeakPolarHBondContact O-CB 3.19Å; V339-A342 PolarHBondContact O-N 3.02Å; V339-D360 HydrophobicContact CB-CB 4.49Å; V339-D360 HydrophobicContact CG2-CB 4.16Å
340	P	88.1	Confident	90.5	Very high	71 Å²	71	30.7 Å²	30.7	46%	0.461	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.7	-174.6	-25.2	35.9	0	0	0	115.6	S338 Y345	S338-P340 WeakPolarHBondContact O-CD 3.33Å; P340-Y345 HydrophobicContact CG-CE2 4.43Å
341	T	90.6	Very high	89.3	Confident	99 Å²	99	32.8 Å²	32.8	61%	0.607	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-11.7	176.2	53	0	0	0	0	113.3	V339 D358	V339-T341 WeakPolarHBondContact CG1-OG1 3.16Å; V339-T341 PolarHBondContact O-N 3.3Å; V339-T341 VanDerWaalsContact O-N 3.09Å; T341-D358 WeakPolarHBondContact CB-OD2 3.26Å; T341-D358 PolarHBondContact OG1-OD2 3.46Å
342	A	92.4	Very high	87.9	Confident	6 Å²	6	38 Å²	38	5%	0.05	20%	0.199	C	C	.	.	S	Bend	trans	-69.5	141.8	176.8	0	0	0	0	0	110.9	V339 M344 Y345 D358 D361	V339-A342 HydrophobicContact CB-CB 3.98Å; V339-A342 HydrophobicContact CG1-CB 4.31Å; V339-A342 VanDerWaalsContact O-CB 3.29Å; V339-A342 WeakPolarHBondContact O-CB 3.19Å; V339-A342 PolarHBondContact O-N 3.02Å; A342-M344 PolarHBondContact O-N 3.28Å; A342-Y345 VanDerWaalsContact O-CB 3.24Å; A342-Y345 WeakPolarHBondContact O-CB 2.98Å; A342-Y345 PolarHBondContact O-N 3.36Å; A342-D358 HydrophobicContact CB-CB 4.13Å; A342-D361 WeakPolarHBondContact CB-OD1 3.44Å
343	I	93.6	Very high	86.7	Confident	21 Å²	21	43.5 Å²	43.5	11%	0.108	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-38.4	170.2	-75.5	-174.5	0	0	0	109.3	L240 A325 H326 Y345 V355 L357 D361	L240-I343 HydrophobicContact CD2-CD1 3.87Å; A325-I343 HydrophobicContact CB-CD1 4.08Å; A325-I343 HydrophobicContact CB-CG2 3.92Å; H326-I343 HydrophobicContact CB-CG2 4.2Å; H326-I343 PolarHBondContact ND1-O 2.82Å; I343-Y345 PolarHBondContact O-N 3.47Å; I343-Y345 VanDerWaalsContact O-N 3.11Å; I343-V355 HydrophobicContact CD1-CG1 4.1Å; I343-L357 HydrophobicContact CD1-CD2 3.89Å; I343-L357 HydrophobicContact CD1-CG 4.29Å; I343-D361 PolarHBondContact N-OD1 3.44Å; I343-D361 PolarHBondContact N-OD2 3.33Å
344	M	93.9	Very high	85.6	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.02	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	7.4	177.6	-62.2	-50.8	-58.6	0	0	114.6	W241 H326 H330 L334 H336 S337 A342 D361	W241-M344 HydrophobicContact CH2-SD 4.39Å; W241-M344 HydrophobicContact CZ2-SD 4.21Å; H326-M344 VanDerWaalsContact CE1-C 3.49Å; H326-M344 PolarHBondContact CE1-O 3Å; H326-M344 VanDerWaalsContact O-SD 3.4Å; H330-M344 WeakPolarHBondContact CE1-CE 3.13Å; H330-M344 WeakPolarHBondContact ND1-CE 3.35Å; L334-M344 HydrophobicContact CB-CE 3.93Å; L334-M344 HydrophobicContact CB-CG 4.14Å; L334-M344 HydrophobicContact CB-SD 4.18Å; L334-M344 HydrophobicContact CD1-CG 3.89Å; L334-M344 HydrophobicContact CD1-SD 4.16Å; H336-M344 CarbonylContact C-O 3.34Å; H336-M344 VanDerWaalsContact CA-O 3.26Å; H336-M344 WeakPolarHBondContact CA-O 3.49Å; S337-M344 PolarHBondContact N-O 2.89Å; A342-M344 PolarHBondContact O-N 3.28Å; M344-D361 WeakPolarHBondContact CB-OD1 3.36Å; M344-D361 WeakPolarHBondContact CG-OD1 3.24Å; M344-D361 PolarHBondContact N-OD1 3.12Å; M344-D361 VanDerWaalsContact N-OD1 3.1Å
345	Y	92.7	Very high	85.2	Confident	31 Å²	31	51 Å²	51	12%	0.122	26%	0.258	C	S	.	.			trans	-66.1	130	172.1	-173.7	-116.9	0	0	0	110.6	H326 P340 A342 I343 Y347	H326-Y345 PolarHBondContact CE1-O 3.45Å; H326-Y345 PolarHBondContact ND1-O 2.79Å; P340-Y345 HydrophobicContact CG-CE2 4.43Å; A342-Y345 VanDerWaalsContact O-CB 3.24Å; A342-Y345 WeakPolarHBondContact O-CB 2.98Å; A342-Y345 PolarHBondContact O-N 3.36Å; I343-Y345 PolarHBondContact O-N 3.47Å; I343-Y345 VanDerWaalsContact O-N 3.11Å; Y345-Y347 HydrophobicContact CE1-CD2 4.22Å; Y345-Y347 HydrophobicContact CE1-CG 4.42Å; Y345-Y347 PolarHBondContact O-N 2.84Å; Y345-Y347 VanDerWaalsContact O-N 3.12Å
346	P	93	Very high	85.2	Confident	5 Å²	5	57.9 Å²	57.9	3%	0.032	29%	0.287	C	S	.	.	S	Bend	trans	-58.5	-31.4	-170.2	-18.1	17.6	0	0	0	115.3	R140 C141 H336 S337	R140-P346 CarbonylContact C-O 3.52Å; R140-P346 VanDerWaalsContact CA-O 3.26Å; R140-P346 WeakPolarHBondContact CA-O 3.11Å; R140-P346 WeakPolarHBondContact CB-O 3.46Å; C141-P346 PolarHBondContact N-O 3.43Å; H336-P346 HydrophobicContact CB-CG 3.79Å; S337-P346 WeakPolarHBondContact O-CD 3.22Å
347	Y	93	Very high	85.3	Confident	16 Å²	16	57.7 Å²	57.7	6%	0.063	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-92.6	138	-173.1	-77.3	-78.2	0	0	0	112	F116 Y120 L135 R140 Y345 T349	F116-Y347 WeakPolarHBondContact CZ-OH 3.41Å; Y120-Y347 HydrophobicContact CD1-CD2 4.37Å; Y120-Y347 AromaticContact CD1-CE2 3.89Å; Y120-Y347 HydrophobicContact CD1-CE2 3.89Å; Y120-Y347 HydrophobicContact CD2-CE2 4.42Å; Y120-Y347 AromaticContact CE1-CD2 3.77Å; Y120-Y347 HydrophobicContact CE1-CD2 3.77Å; Y120-Y347 AromaticContact CE1-CE2 3.37Å; Y120-Y347 HydrophobicContact CE1-CE2 3.37Å; Y120-Y347 AromaticContact CE2-CE2 3.94Å; Y120-Y347 HydrophobicContact CE2-CE2 3.94Å; Y120-Y347 HydrophobicContact CG-CE2 4.39Å; Y120-Y347 AromaticContact CZ-CE2 3.37Å; Y120-Y347 WeakPolarHBondContact OH-CE2 3.37Å; L135-Y347 HydrophobicContact CD1-CD1 4.18Å; L135-Y347 HydrophobicContact CD1-CD2 4.15Å; L135-Y347 HydrophobicContact CD1-CE1 3.77Å; L135-Y347 HydrophobicContact CD1-CE2 3.68Å; L135-Y347 HydrophobicContact CD1-CG 4.38Å; L135-Y347 HydrophobicContact CD2-CE2 4.41Å; L135-Y347 HydrophobicContact CG-CE1 4.24Å; L135-Y347 HydrophobicContact CG-CE2 3.99Å; L135-Y347 WeakPolarHBondContact CG-OH 3.4Å; L135-Y347 WeakPolarHBondContact O-CE1 3.27Å; L135-Y347 VanDerWaalsContact O-CZ 3.26Å; L135-Y347 PolarHBondContact O-OH 2.89Å; R140-Y347 HydrophobicContact CB-CD1 3.74Å; R140-Y347 HydrophobicContact CB-CE1 3.98Å; R140-Y347 HydrophobicContact CB-CG 4.35Å; R140-Y347 HydrophobicContact CG-CD1 4.47Å; R140-Y347 HydrophobicContact CG-CE1 4.23Å; R140-Y347 VanDerWaalsContact NH1-CZ 3.28Å; R140-Y347 PolarHBondContact NH1-OH 2.74Å; Y345-Y347 HydrophobicContact CE1-CD2 4.22Å; Y345-Y347 HydrophobicContact CE1-CG 4.42Å; Y345-Y347 PolarHBondContact O-N 2.84Å; Y345-Y347 VanDerWaalsContact O-N 3.12Å; Y347-T349 PolarHBondContact O-N 3.46Å
348	Y	91	Very high	85.5	Confident	41 Å²	41	58.9 Å²	58.9	16%	0.161	29%	0.292	C	S	.	.			trans	-67.5	127	178.3	178.2	-110	0	0	0	111.6	P139 L283 N319 V323 R350	P139-Y348 HydrophobicContact CB-CD1 4.3Å; P139-Y348 WeakPolarHBondContact O-CB 3.42Å; P139-Y348 PolarHBondContact O-N 3.21Å; L283-Y348 HydrophobicContact CD1-CD1 4.16Å; L283-Y348 HydrophobicContact CD1-CD2 3.77Å; L283-Y348 HydrophobicContact CD1-CG 3.54Å; N319-Y348 VanDerWaalsContact CB-OH 3.27Å; N319-Y348 WeakPolarHBondContact CB-OH 3.45Å; N319-Y348 PolarHBondContact N-OH 2.8Å; V323-Y348 HydrophobicContact CG2-CD2 3.77Å; V323-Y348 HydrophobicContact CG2-CE2 3.88Å; Y348-R350 HydrophobicContact CD1-CG 4.48Å; Y348-R350 HydrophobicContact CE1-CG 4Å
349	T	81.5	Confident	85.8	Confident	59 Å²	59	60.5 Å²	60.5	36%	0.362	30%	0.301	S	S	.	.			trans	-106.8	135.9	175.3	65.7	0	0	0	0	110.3	Y347 T351	Y347-T349 PolarHBondContact O-N 3.46Å; T349-T351 PolarHBondContact O-N 2.92Å
350	R	71.4	Confident	86.1	Confident	138 Å²	138	60.3 Å²	60.3	52%	0.521	30%	0.299	S	S	.	.	S	Bend	trans	-80.1	20.3	-174.6	-63.1	-174.3	-176.7	-173.9	1.1	114.1	Y348	Y348-R350 HydrophobicContact CD1-CG 4.48Å; Y348-R350 HydrophobicContact CE1-CG 4Å
351	T	68.5	Low	86.5	Confident	43 Å²	43	57 Å²	57	26%	0.264	28%	0.277	S	S	.	.			trans	-109.2	80.9	-172.3	50.8	0	0	0	0	111.7	T349 E353 K354	T349-T351 PolarHBondContact O-N 2.92Å; T351-E353 VanDerWaalsContact C-N 3.33Å; T351-E353 PolarHBondContact O-N 3.43Å; T351-K354 HydrophobicContact CG2-CD 4.26Å; T351-K354 WeakPolarHBondContact O-CB 3.42Å; T351-K354 PolarHBondContact O-N 2.85Å; T351-K354 VanDerWaalsContact O-N 3.15Å
352	W	66.5	Low	86.8	Confident	109 Å²	109	54.6 Å²	54.6	41%	0.413	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-61.8	-35.2	179.8	72.9	-75.8	0	0	0	113.1	P313 N319 K354 V355	P313-W352 HydrophobicContact CB-CD2 4.33Å; P313-W352 HydrophobicContact CB-CZ2 3.88Å; P313-W352 HydrophobicContact CG-CZ2 3.99Å; N319-W352 VanDerWaalsContact ND2-CB 3.25Å; N319-W352 WeakPolarHBondContact ND2-CB 3.3Å; W352-K354 PolarHBondContact O-N 3.03Å; W352-V355 WeakPolarHBondContact O-CG2 3.22Å; W352-V355 PolarHBondContact O-N 3.28Å; W352-V355 VanDerWaalsContact O-N 3.1Å
353	E	68	Low	87	Confident	118 Å²	118	57.1 Å²	57.1	55%	0.551	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-65.9	-10.4	178.5	66.7	-102.1	167.3	0	0	113.4	T351	T351-E353 VanDerWaalsContact C-N 3.33Å; T351-E353 PolarHBondContact O-N 3.43Å
354	K	69.7	Low	87	Confident	140 Å²	140	56.4 Å²	56.4	61%	0.609	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-100.5	4.9	178.1	-59.8	-172.7	-173.6	174.8	0	113.8	T351 W352 K356	T351-K354 HydrophobicContact CG2-CD 4.26Å; T351-K354 WeakPolarHBondContact O-CB 3.42Å; T351-K354 PolarHBondContact O-N 2.85Å; T351-K354 VanDerWaalsContact O-N 3.15Å; W352-K354 PolarHBondContact O-N 3.03Å; K354-K356 PolarHBondContact O-N 3.38Å
355	V	84	Confident	87.1	Confident	24 Å²	24	56.2 Å²	56.2	15%	0.145	28%	0.278	C	S	.	.			trans	-69.8	86.6	178.3	-174.7	0	0	0	0	109.7	L240 I321 A325 I343 W352	L240-V355 HydrophobicContact CD2-CG1 4.28Å; I321-V355 HydrophobicContact CG2-CB 4.44Å; I321-V355 HydrophobicContact CG2-CG1 3.92Å; A325-V355 HydrophobicContact CB-CG1 4.34Å; I343-V355 HydrophobicContact CD1-CG1 4.1Å; W352-V355 WeakPolarHBondContact O-CG2 3.22Å; W352-V355 PolarHBondContact O-N 3.28Å; W352-V355 VanDerWaalsContact O-N 3.1Å
356	K	91	Very high	87.2	Confident	153 Å²	153	57.9 Å²	57.9	67%	0.665	29%	0.287	S	S	*	.	S	Bend	trans	-142.9	142.4	176	-65.3	-177	-177.7	178.3	0	106.2	K354 D358	K354-K356 PolarHBondContact O-N 3.38Å; K356-D358 PolarHBondContact O-N 3.46Å
357	L	93.8	Very high	87.3	Confident	21 Å²	21	64.5 Å²	64.5	11%	0.11	32%	0.317	C	S	.	.			trans	-62.2	127.2	175.7	-66.2	166.3	0	0	0	109.5	L240 W241 V244 I343 D361 I362	L240-L357 HydrophobicContact CD1-CD1 4.37Å; L240-L357 HydrophobicContact CD1-CG 4.23Å; L240-L357 HydrophobicContact CD2-CG 4.29Å; L240-L357 HydrophobicContact CG-CD1 4.04Å; L240-L357 HydrophobicContact CG-CG 3.94Å; L240-L357 WeakPolarHBondContact O-CD1 3.43Å; W241-L357 HydrophobicContact CD2-CD2 4.09Å; W241-L357 HydrophobicContact CE3-CD1 4.22Å; W241-L357 HydrophobicContact CE3-CD2 3.88Å; W241-L357 HydrophobicContact CH2-CD2 3.48Å; W241-L357 VanDerWaalsContact CH2-CD2 3.48Å; W241-L357 HydrophobicContact CZ2-CD2 3.73Å; W241-L357 HydrophobicContact CZ3-CD1 4.48Å; W241-L357 HydrophobicContact CZ3-CD2 3.56Å; V244-L357 HydrophobicContact CB-CD1 4.38Å; V244-L357 HydrophobicContact CG1-CD1 3.93Å; V244-L357 HydrophobicContact CG2-CD1 3.51Å; I343-L357 HydrophobicContact CD1-CD2 3.89Å; I343-L357 HydrophobicContact CD1-CG 4.29Å; L357-D361 HydrophobicContact CB-CB 4.36Å; L357-D361 HydrophobicContact CD2-CB 3.98Å; L357-I362 HydrophobicContact CB-CD1 4.2Å; L357-I362 HydrophobicContact CB-CG1 3.8Å
358	D	94.1	Very high	87.2	Confident	31 Å²	31	65 Å²	65	17%	0.166	32%	0.321	C	S	.	.			trans	-72.2	153.5	173.3	-172.6	-81.3	0	0	0	109.5	T341 A342 K356 D360 D361 I362	T341-D358 WeakPolarHBondContact CB-OD2 3.26Å; T341-D358 PolarHBondContact OG1-OD2 3.46Å; A342-D358 HydrophobicContact CB-CB 4.13Å; K356-D358 PolarHBondContact O-N 3.46Å; D358-D360 PolarHBondContact O-N 3.27Å; D358-D360 VanDerWaalsContact O-N 3.12Å; D358-D360 WeakPolarHBondContact OD1-CB 3.08Å; D358-D360 PolarHBondContact OD1-N 2.85Å; D358-D361 VanDerWaalsContact CB-OD2 3.29Å; D358-D361 WeakPolarHBondContact CB-OD2 3.19Å; D358-D361 PolarHBondContact N-OD2 3.04Å; D358-D361 WeakPolarHBondContact O-CB 3.35Å; D358-D361 PolarHBondContact O-N 2.99Å; D358-I362 WeakPolarHBondContact O-CG1 3.32Å; D358-I362 PolarHBondContact O-N 2.89Å
359	P	96.3	Very high	87.4	Confident	101 Å²	101	63.7 Å²	63.7	66%	0.656	32%	0.316	S	S	*	.	H	α-helix	trans	-49.3	-32.9	170.5	-30.5	36.9	0	0	0	114.5	A363	P359-A363 VanDerWaalsContact O-CB 3.3Å; P359-A363 WeakPolarHBondContact O-CB 3.18Å; P359-A363 PolarHBondContact O-N 3.2Å
360	D	94.9	Very high	88	Confident	35 Å²	35	62.3 Å²	62.3	19%	0.187	31%	0.313	C	S	.	.	H	α-helix	trans	-65.2	-44.8	174.6	-167.2	69	0	0	0	112	Y199 S337 V339 D358 I362 A363 G364	Y199-D360 PolarHBondContact OH-OD1 2.92Å; Y199-D360 VanDerWaalsContact OH-OD1 3.05Å; Y199-D360 PolarHBondContact OH-OD2 2.89Å; S337-D360 WeakPolarHBondContact CB-OD2 3.47Å; S337-D360 PolarHBondContact OG-OD2 3.48Å; V339-D360 HydrophobicContact CB-CB 4.49Å; V339-D360 HydrophobicContact CG2-CB 4.16Å; D358-D360 PolarHBondContact O-N 3.27Å; D358-D360 VanDerWaalsContact O-N 3.12Å; D358-D360 WeakPolarHBondContact OD1-CB 3.08Å; D358-D360 PolarHBondContact OD1-N 2.85Å; D360-I362 PolarHBondContact O-N 2.84Å; D360-A363 PolarHBondContact O-N 2.84Å; D360-G364 PolarHBondContact O-N 2.89Å
361	D	96.2	Very high	89.3	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.016	31%	0.311	C	S	.	.	H	α-helix	trans	-61.7	-45.6	176.9	-57.3	-52.2	0	0	0	110.8	W241 A342 I343 M344 L357 D358 G364 I365	W241-D361 HydrophobicContact CH2-CB 4.23Å; A342-D361 WeakPolarHBondContact CB-OD1 3.44Å; I343-D361 PolarHBondContact N-OD1 3.44Å; I343-D361 PolarHBondContact N-OD2 3.33Å; M344-D361 WeakPolarHBondContact CB-OD1 3.36Å; M344-D361 WeakPolarHBondContact CG-OD1 3.24Å; M344-D361 PolarHBondContact N-OD1 3.12Å; M344-D361 VanDerWaalsContact N-OD1 3.1Å; L357-D361 HydrophobicContact CB-CB 4.36Å; L357-D361 HydrophobicContact CD2-CB 3.98Å; D358-D361 VanDerWaalsContact CB-OD2 3.29Å; D358-D361 WeakPolarHBondContact CB-OD2 3.19Å; D358-D361 PolarHBondContact N-OD2 3.04Å; D358-D361 WeakPolarHBondContact O-CB 3.35Å; D358-D361 PolarHBondContact O-N 2.99Å; D361-G364 PolarHBondContact O-N 3.04Å; D361-I365 WeakPolarHBondContact O-CG2 3.31Å; D361-I365 PolarHBondContact O-N 3.34Å
362	I	97.6	Very high	90.6	Very high	48 Å²	48	57.9 Å²	57.9	25%	0.246	31%	0.31	C	S	.	.	H	α-helix	trans	-63.3	-48	-179.8	-63.3	173	0	0	0	110.4	V244 L357 D358 D360 G364 I365 Q366	V244-I362 HydrophobicContact CB-CG1 4.5Å; V244-I362 HydrophobicContact CB-CG2 4.44Å; V244-I362 HydrophobicContact CG1-CD1 4.33Å; V244-I362 HydrophobicContact CG1-CG1 4.24Å; L357-I362 HydrophobicContact CB-CD1 4.2Å; L357-I362 HydrophobicContact CB-CG1 3.8Å; D358-I362 WeakPolarHBondContact O-CG1 3.32Å; D358-I362 PolarHBondContact O-N 2.89Å; D360-I362 PolarHBondContact O-N 2.84Å; I362-G364 VanDerWaalsContact C-N 3.33Å; I362-G364 PolarHBondContact O-N 2.9Å; I362-I365 WeakPolarHBondContact O-CG2 3.44Å; I362-I365 PolarHBondContact O-N 3.23Å; I362-Q366 HydrophobicContact CG2-CG 4.26Å; I362-Q366 VanDerWaalsContact O-CB 3.26Å; I362-Q366 WeakPolarHBondContact O-CB 3.36Å; I362-Q366 WeakPolarHBondContact O-CG 3.39Å; I362-Q366 PolarHBondContact O-N 3.19Å
363	A	96.3	Very high	91.9	Very high	58 Å²	58	59.2 Å²	59.2	48%	0.479	32%	0.319	S	S	.	.	H	α-helix	trans	-61.7	-43.2	178.6	0	0	0	0	0	111.4	P359 D360 Q367	P359-A363 VanDerWaalsContact O-CB 3.3Å; P359-A363 WeakPolarHBondContact O-CB 3.18Å; P359-A363 PolarHBondContact O-N 3.2Å; D360-A363 PolarHBondContact O-N 2.84Å; A363-Q367 WeakPolarHBondContact O-CB 3.42Å; A363-Q367 PolarHBondContact O-N 3.35Å
364	G	93.7	Very high	93	Very high	6 Å²	6	60 Å²	60	6%	0.062	34%	0.335	C	S	.	.	H	α-helix	trans	-60.7	-50.4	178.2	0	0	0	0	0	112.6	D360 D361 I362 Q367 I368	D360-G364 PolarHBondContact O-N 2.89Å; D361-G364 PolarHBondContact O-N 3.04Å; I362-G364 VanDerWaalsContact C-N 3.33Å; I362-G364 PolarHBondContact O-N 2.9Å; G364-Q367 WeakPolarHBondContact O-CB 3.34Å; G364-Q367 PolarHBondContact O-N 2.9Å; G364-I368 PolarHBondContact O-N 3.29Å
365	I	95.1	Very high	94.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-71	-36.1	-176.2	-162.9	67.5	0	0	0	112.2	W241 V244 V245 L332 L334 D361 I362 Q367 I368 Y369	W241-I365 HydrophobicContact CE3-CB 4.3Å; W241-I365 HydrophobicContact CE3-CG1 4.05Å; W241-I365 HydrophobicContact CE3-CG2 4.25Å; W241-I365 HydrophobicContact CZ3-CB 3.89Å; W241-I365 HydrophobicContact CZ3-CD1 4.45Å; W241-I365 HydrophobicContact CZ3-CG1 4.08Å; W241-I365 HydrophobicContact CZ3-CG2 4Å; V244-I365 HydrophobicContact CG2-CG2 3.96Å; V245-I365 HydrophobicContact CB-CG1 4.06Å; V245-I365 HydrophobicContact CB-CG2 4.42Å; V245-I365 HydrophobicContact CG2-CG1 3.7Å; L332-I365 HydrophobicContact CB-CD1 3.73Å; L332-I365 HydrophobicContact CD1-CD1 4.19Å; L334-I365 HydrophobicContact CD1-CB 4.18Å; L334-I365 HydrophobicContact CD1-CD1 4.05Å; L334-I365 HydrophobicContact CD2-CB 4.33Å; L334-I365 HydrophobicContact CD2-CD1 4.3Å; L334-I365 HydrophobicContact CG-CD1 3.95Å; D361-I365 WeakPolarHBondContact O-CG2 3.31Å; D361-I365 PolarHBondContact O-N 3.34Å; I362-I365 WeakPolarHBondContact O-CG2 3.44Å; I362-I365 PolarHBondContact O-N 3.23Å; I365-Q367 VanDerWaalsContact C-N 3.3Å; I365-Q367 PolarHBondContact O-N 2.82Å; I365-I368 PolarHBondContact O-N 2.92Å; I365-I368 VanDerWaalsContact O-N 3.15Å; I365-Y369 HydrophobicContact CD1-CD2 3.83Å; I365-Y369 HydrophobicContact CD1-CE2 3.8Å; I365-Y369 HydrophobicContact CG1-CD2 4.19Å; I365-Y369 PolarHBondContact O-N 3.29Å; I365-Y369 VanDerWaalsContact O-N 3.1Å
366	Q	96.4	Very high	94.5	Very high	67 Å²	67	58 Å²	58	31%	0.313	35%	0.348	S	S	.	.	H	α-helix	trans	-70.4	-28	176.9	-69.5	-177.6	-7.7	0	0	112.2	V244 I362 I368 G370 A371	V244-Q366 WeakPolarHBondContact O-CG 3.23Å; V244-Q366 PolarHBondContact O-NE2 3.03Å; I362-Q366 HydrophobicContact CG2-CG 4.26Å; I362-Q366 VanDerWaalsContact O-CB 3.26Å; I362-Q366 WeakPolarHBondContact O-CB 3.36Å; I362-Q366 WeakPolarHBondContact O-CG 3.39Å; I362-Q366 PolarHBondContact O-N 3.19Å; Q366-I368 PolarHBondContact O-N 2.78Å; Q366-G370 WeakPolarHBondContact O-CA 3.22Å; Q366-G370 PolarHBondContact O-N 2.81Å; Q366-A371 HydrophobicContact CG-CB 4.31Å
367	Q	93.4	Very high	94.6	Very high	144 Å²	144	57.4 Å²	57.4	67%	0.673	35%	0.346	S	S	*	.	H	α-helix	trans	-63.8	-31.8	171	-175	175.3	-4.8	0	0	112	I201 A363 G364 I365	I201-Q367 HydrophobicContact CG2-CG 4.28Å; A363-Q367 WeakPolarHBondContact O-CB 3.42Å; A363-Q367 PolarHBondContact O-N 3.35Å; G364-Q367 WeakPolarHBondContact O-CB 3.34Å; G364-Q367 PolarHBondContact O-N 2.9Å; I365-Q367 VanDerWaalsContact C-N 3.3Å; I365-Q367 PolarHBondContact O-N 2.82Å
368	I	92.3	Very high	94.6	Very high	26 Å²	26	58.6 Å²	58.6	13%	0.133	35%	0.352	C	S	.	.	H	α-helix	trans	-80.9	-46.3	-179.1	-57.9	171.3	0	0	0	111.4	I201 K207 L334 G364 I365 Q366	I201-I368 HydrophobicContact CG1-CD1 4.46Å; I201-I368 HydrophobicContact CG2-CG1 4.27Å; K207-I368 HydrophobicContact CB-CG2 3.68Å; K207-I368 HydrophobicContact CD-CG2 4.21Å; L334-I368 HydrophobicContact CD2-CD1 3.91Å; G364-I368 PolarHBondContact O-N 3.29Å; I365-I368 PolarHBondContact O-N 2.92Å; I365-I368 VanDerWaalsContact O-N 3.15Å; Q366-I368 PolarHBondContact O-N 2.78Å
369	Y	94.2	Very high	94.6	Very high	14 Å²	14	57.8 Å²	57.8	6%	0.055	35%	0.348	C	S	.	.	H	α-helix	trans	-120.5	-11.8	-168.4	-59.9	-70.7	0	0	0	115.7	K207 W208 K211 V245 L247 L332 I365	K207-Y369 WeakPolarHBondContact CA-OH 3.34Å; K207-Y369 HydrophobicContact CB-CE1 3.98Å; W208-Y369 HydrophobicContact CB-CE1 4.13Å; W208-Y369 PolarHBondContact N-OH 2.75Å; K211-Y369 PolarHBondContact NZ-O 3.19Å; V245-Y369 VanDerWaalsContact CG2-CB 3.47Å; V245-Y369 HydrophobicContact CG2-CD2 3.78Å; V245-Y369 HydrophobicContact CG2-CG 4Å; L247-Y369 HydrophobicContact CD1-CD1 3.87Å; L247-Y369 HydrophobicContact CD1-CD2 3.64Å; L247-Y369 HydrophobicContact CD1-CE1 3.88Å; L247-Y369 HydrophobicContact CD1-CE2 3.65Å; L247-Y369 HydrophobicContact CD1-CG 3.75Å; L247-Y369 HydrophobicContact CD2-CD1 3.78Å; L247-Y369 HydrophobicContact CD2-CE1 4.11Å; L247-Y369 HydrophobicContact CD2-CG 4.2Å; L247-Y369 HydrophobicContact CG-CD1 3.99Å; L247-Y369 HydrophobicContact CG-CD2 4.26Å; L247-Y369 HydrophobicContact CG-CE1 4.4Å; L247-Y369 HydrophobicContact CG-CG 3.9Å; L332-Y369 HydrophobicContact CB-CE2 4.34Å; L332-Y369 WeakPolarHBondContact O-CE2 3.27Å; L332-Y369 VanDerWaalsContact O-CZ 3.27Å; L332-Y369 PolarHBondContact O-OH 3.47Å; I365-Y369 HydrophobicContact CD1-CD2 3.83Å; I365-Y369 HydrophobicContact CD1-CE2 3.8Å; I365-Y369 HydrophobicContact CG1-CD2 4.19Å; I365-Y369 PolarHBondContact O-N 3.29Å; I365-Y369 VanDerWaalsContact O-N 3.1Å
370	G	95.3	Very high	94.4	Very high	29 Å²	29	57.9 Å²	57.9	30%	0.299	35%	0.349	S	S	.	.			trans	86	162.4	-169.4	0	0	0	0	0	113.6	N246 Q366	N246-G370 PolarHBondContact N-O 2.96Å; Q366-G370 WeakPolarHBondContact O-CA 3.22Å; Q366-G370 PolarHBondContact O-N 2.81Å
371	A	97.2	Very high	94	Very high	58 Å²	58	59.8 Å²	59.8	48%	0.479	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-65.5	149.3	175.7	0	0	0	0	0	112.3	N246 Q366	N246-A371 WeakPolarHBondContact CB-O 3.43Å; Q366-A371 HydrophobicContact CG-CB 4.31Å
372	A	96.2	Very high	93.2	Very high	31 Å²	31	61.9 Å²	61.9	26%	0.256	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-54.2	139.7	175.1	0	0	0	0	0	111.8	R243 V244 K376	R243-A372 WeakPolarHBondContact O-CB 3.4Å; V244-A372 PolarHBondContact O-N 3.15Å; A372-K376 HydrophobicContact CB-CD 4.28Å
373	K	93.6	Very high	92.2	Very high	136 Å²	136	65.4 Å²	65.4	59%	0.591	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-69.7	145	176.5	-66.4	175.8	-178.7	170.9	0	110.5	N246 G375 K376	N246-K373 VanDerWaalsContact OD1-CE 3.28Å; N246-K373 WeakPolarHBondContact OD1-CE 2.95Å; K373-G375 PolarHBondContact O-N 2.83Å; K373-K376 WeakPolarHBondContact O-CB 3.05Å; K373-K376 PolarHBondContact O-N 3.23Å
374	P	92.6	Very high	90.8	Very high	136 Å²	136	65 Å²	65	88%	0.883	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	138.3	170.6	-22.8	33.2	0	0	0	111.4	K376	P374-K376 PolarHBondContact O-N 2.79Å
375	G	91	Very high	89.5	Confident	86 Å²	86	69.6 Å²	69.6	89%	0.887	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	13.1	177.9	0	0	0	0	0	115.2	K373 F377	K373-G375 PolarHBondContact O-N 2.83Å; G375-F377 PolarHBondContact O-N 3.34Å
376	K	92.8	Very high	88	Confident	36 Å²	36	76.7 Å²	76.7	16%	0.157	46%	0.456	C	S	.	.			trans	-56	132.8	175.8	-175.2	-175.9	-179.1	-160.8	0	111.2	S242 V245 L247 D248 A372 K373 P374 I378	S242-K376 PolarHBondContact O-NZ 3.43Å; S242-K376 WeakPolarHBondContact OG-CE 3.19Å; S242-K376 PolarHBondContact OG-NZ 2.87Å; V245-K376 PolarHBondContact O-NZ 3.26Å; L247-K376 WeakPolarHBondContact O-CE 3.36Å; L247-K376 PolarHBondContact O-NZ 2.91Å; D248-K376 WeakPolarHBondContact OD1-CE 3.35Å; D248-K376 IonicContact OD1-NZ 2.77Å; A372-K376 HydrophobicContact CB-CD 4.28Å; K373-K376 WeakPolarHBondContact O-CB 3.05Å; K373-K376 PolarHBondContact O-N 3.23Å; P374-K376 PolarHBondContact O-N 2.79Å; K376-I378 HydrophobicContact CD-CD1 4.45Å
377	F	93.1	Very high	86.1	Confident	139 Å²	139	79.1 Å²	79.1	61%	0.61	47%	0.469	S	S	*	.			trans	-70.8	129.3	175.6	177.4	-104.2	0	0	0	110.4	M250 G375 P379	M250-F377 HydrophobicContact CE-CD1 4.44Å; M250-F377 HydrophobicContact CE-CE1 4.49Å; G375-F377 PolarHBondContact O-N 3.34Å; F377-P379 HydrophobicContact CE1-CB 4.49Å; F377-P379 HydrophobicContact CE1-CG 4.18Å
378	I	94.6	Very high	84.1	Confident	46 Å²	46	77 Å²	77	24%	0.236	47%	0.468	C	S	.	.			trans	-115.5	122.6	173.6	-56.4	-63	0	0	0	106.8	N239 S242 R243 K376	N239-I378 HydrophobicContact CB-CG2 3.86Å; N239-I378 WeakPolarHBondContact OD1-CG2 3.45Å; S242-I378 VanDerWaalsContact OG-CD1 3.27Å; S242-I378 WeakPolarHBondContact OG-CD1 3.48Å; R243-I378 HydrophobicContact CG-CD1 4.27Å; R243-I378 HydrophobicContact CG-CG1 4.4Å; K376-I378 HydrophobicContact CD-CD1 4.45Å
379	P	93.7	Very high	82	Confident	14 Å²	14	81.2 Å²	81.2	9%	0.091	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-56.2	144.5	177.4	-25.9	34.3	0	0	0	112.2	N239 M250 F377	N239-P379 PolarHBondContact ND2-O 3.15Å; M250-P379 HydrophobicContact CE-CG 3.39Å; F377-P379 HydrophobicContact CE1-CB 4.49Å; F377-P379 HydrophobicContact CE1-CG 4.18Å
380	P	91.7	Very high	79.9	Confident	104 Å²	104	85.9 Å²	85.9	68%	0.675	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-65.2	141.2	177.9	28.1	-34.2	0	0	0	110.9
381	E	87.2	Confident	77.5	Confident	74 Å²	74	89.6 Å²	89.6	35%	0.346	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-79.7	139.8	172	-66	173.5	-155.9	0	0	109.3	Q235 H236 N239 R243 S383	Q235-E381 HydrophobicContact CG-CG 4.42Å; H236-E381 IonicContact CE1-OE2 2.89Å; H236-E381 IonicContact CG-OE2 3.49Å; H236-E381 VanDerWaalsContact ND1-CD 3.3Å; H236-E381 IonicContact ND1-OE1 3.97Å; H236-E381 PolarHBondContact ND1-OE1 3.19Å; H236-E381 IonicContact ND1-OE2 2.78Å; H236-E381 PolarHBondContact ND1-OE2 3.03Å; N239-E381 VanDerWaalsContact ND2-CG 3.34Å; N239-E381 WeakPolarHBondContact ND2-CG 3.5Å; N239-E381 PolarHBondContact ND2-OE1 3.47Å; R243-E381 IonicContact CZ-OE1 3.98Å; R243-E381 IonicContact NH1-OE1 2.65Å; R243-E381 IonicContact NH2-OE1 3.37Å; R243-E381 PolarHBondContact NH2-OE1 2.65Å; E381-S383 PolarHBondContact O-N 2.81Å
382	P	79.5	Confident	75.3	Confident	48 Å²	48	92.1 Å²	92.1	31%	0.312	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-59.2	130.9	176.1	-20.9	31.5	0	0	0	110.6	A232 L384	A232-P382 HydrophobicContact CB-CB 4.19Å; A232-P382 HydrophobicContact CB-CG 3.98Å; P382-L384 PolarHBondContact O-N 2.81Å; P382-L384 VanDerWaalsContact O-N 3.12Å
383	S	76.1	Confident	73.2	Confident	122 Å²	122	96.9 Å²	96.9	85%	0.853	59%	0.585	S	S	*	*			trans	-70.2	108.8	171.9	61.3	0	0	0	0	109.3	E381	E381-S383 PolarHBondContact O-N 2.81Å
384	L	67.5	Low	71.4	Confident	49 Å²	49	96.8 Å²	96.8	26%	0.257	60%	0.596	S	S	.	*			trans	-96.8	127.3	175.4	-62.2	172.2	0	0	0	109.4	V228 A232 P382 D386	V228-L384 HydrophobicContact CG1-CD2 3.68Å; A232-L384 HydrophobicContact CB-CD1 3.32Å; A232-L384 HydrophobicContact CB-CD2 4.11Å; A232-L384 HydrophobicContact CB-CG 3.84Å; P382-L384 PolarHBondContact O-N 2.81Å; P382-L384 VanDerWaalsContact O-N 3.12Å; L384-D386 PolarHBondContact O-N 2.97Å
385	P	66.7	Low	69.7	Low	103 Å²	103	95.4 Å²	95.4	67%	0.669	59%	0.585	S	S	*	*			trans	-63	138.4	166.7	26.6	-31.1	0	0	0	109	R229 I387	R229-P385 PolarHBondContact NH1-O 3.11Å; R229-P385 VanDerWaalsContact NH1-O 3.12Å; P385-I387 PolarHBondContact O-N 3.32Å; P385-I387 VanDerWaalsContact O-N 3.11Å
386	D	62.9	Low	67.7	Low	148 Å²	148	100.2 Å²	100.2	79%	0.791	59%	0.585	S	S	*	*			trans	-60.4	114.2	165.7	-72.7	-35.6	0	0	0	107.5	L384 P388	L384-D386 PolarHBondContact O-N 2.97Å; D386-P388 WeakPolarHBondContact O-CD 3.5Å
387	I	56.6	Low	65.6	Low	118 Å²	118	102.4 Å²	102.4	61%	0.605	61%	0.61	S	S	*	*			trans	-76	111.8	173.3	-57.2	173.7	0	0	0	105.2	P385	P385-I387 PolarHBondContact O-N 3.32Å; P385-I387 VanDerWaalsContact O-N 3.11Å
388	P	50.9	Low	63.6	Low	100 Å²	100	101.3 Å²	101.3	65%	0.649	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-57	142.3	171.6	23.8	-31.6	0	0	0	108.4	D386	D386-P388 WeakPolarHBondContact O-CD 3.5Å
389	P	49.3	Very low	61.3	Low	114 Å²	114	108.8 Å²	108.8	74%	0.74	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-51.6	134.1	177.3	20.9	-31.3	0	0	0	108.6
390	P	49	Very low	59.2	Low	112 Å²	112	118.9 Å²	118.9	73%	0.727	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-54.3	137.1	179.1	21	-30.4	0	0	0	108.3
391	P	46.3	Very low	57.4	Low	108 Å²	108	122 Å²	122	70%	0.701	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-53.9	146	176.4	21.5	-31	0	0	0	109.3	V393	P391-V393 PolarHBondContact O-N 3.3Å
392	P	49.7	Very low	56.1	Low	110 Å²	110	125.5 Å²	125.5	71%	0.714	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-52.2	129.1	176.9	20.1	-30.2	0	0	0	109	T394	P392-T394 PolarHBondContact O-N 2.81Å
393	V	51.5	Low	55.7	Low	132 Å²	132	128.1 Å²	128.1	80%	0.8	73%	0.725	S	S	*	*			trans	-62.7	98.4	-178.7	179.8	0	0	0	0	107.8	P391 T395	P391-V393 PolarHBondContact O-N 3.3Å; V393-T395 VanDerWaalsContact CG1-O 3.23Å; V393-T395 WeakPolarHBondContact CG1-O 3.19Å
394	T	56.6	Low	55.8	Low	133 Å²	133	124 Å²	124	82%	0.816	69%	0.692	S	S	*	*			trans	-88.4	-12.4	-178.5	37.1	0	0	0	0	113.3	P392	P392-T394 PolarHBondContact O-N 2.81Å
395	T	56.2	Low	56.5	Low	107 Å²	107	126.1 Å²	126.1	66%	0.656	70%	0.704	S	S	*	*	S	Bend	trans	-120.8	131.8	180	-32.3	0	0	0	0	108.7	V393 A397	V393-T395 VanDerWaalsContact CG1-O 3.23Å; V393-T395 WeakPolarHBondContact CG1-O 3.19Å; T395-A397 PolarHBondContact O-N 3.05Å; T395-A397 VanDerWaalsContact O-N 3.14Å
396	E	49.4	Very low	57	Low	187 Å²	187	123.6 Å²	123.6	87%	0.874	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-49.2	124.8	166.1	-85.6	-175	149.9	0	0	108.3
397	A	49.3	Very low	57.7	Low	82 Å²	82	118.4 Å²	118.4	68%	0.678	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-53.9	128.8	171.2	0	0	0	0	0	106.9	T395 K399	T395-A397 PolarHBondContact O-N 3.05Å; T395-A397 VanDerWaalsContact O-N 3.14Å; A397-K399 PolarHBondContact O-N 3.35Å
398	P	50.9	Low	59	Low	116 Å²	116	118 Å²	118	75%	0.753	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-51.7	134.5	178.4	19.9	-30.5	0	0	0	108	R400	P398-R400 PolarHBondContact O-N 3.37Å
399	K	45.4	Very low	60.7	Low	203 Å²	203	113.9 Å²	113.9	88%	0.883	63%	0.628	S	S	*	*			trans	-48.1	111.2	172.7	-78.1	-176.5	179.2	178.9	0	106.3	A397 E401	A397-K399 PolarHBondContact O-N 3.35Å; K399-E401 VanDerWaalsContact C-N 3.32Å; K399-E401 PolarHBondContact O-N 3.28Å
400	R	51	Low	62.6	Low	227 Å²	227	109.5 Å²	109.5	86%	0.857	60%	0.6	S	S	*	*			trans	-61.5	103.5	172.7	-78.3	-176.3	178.1	-176.3	0.5	105.1	P398 N402	P398-R400 PolarHBondContact O-N 3.37Å; R400-N402 PolarHBondContact O-N 2.87Å
401	E	53.5	Low	64.5	Low	168 Å²	168	104.3 Å²	104.3	79%	0.785	57%	0.566	S	S	*	*			trans	-57.1	128.6	164.1	-74.3	-177.7	163.4	0	0	106.3	K399 V403	K399-E401 VanDerWaalsContact C-N 3.32Å; K399-E401 PolarHBondContact O-N 3.28Å; E401-V403 PolarHBondContact O-N 2.79Å
402	N	60.4	Low	66.8	Low	149 Å²	149	101.1 Å²	101.1	80%	0.797	54%	0.544	S	S	*	.			trans	-67.7	87.8	173.2	-76.4	-19.2	0	0	0	107.2	R400 F404	R400-N402 PolarHBondContact O-N 2.87Å; N402-F404 PolarHBondContact O-N 2.84Å
403	V	71.3	Confident	69	Low	102 Å²	102	95.9 Å²	95.9	62%	0.618	51%	0.51	S	S	*	.			trans	-59.9	-25.5	177.9	-177.3	0	0	0	0	110.7	E401	E401-V403 PolarHBondContact O-N 2.79Å
404	F	78.1	Confident	71	Confident	35 Å²	35	89.9 Å²	89.9	15%	0.154	47%	0.473	C	S	.	.	S	Bend	trans	-128.7	135.9	-178.3	-56.5	-78.8	0	0	0	111.4	N402 F406 I409 W429 W431 P451	N402-F404 PolarHBondContact O-N 2.84Å; F404-F406 HydrophobicContact CB-CE1 4.24Å; F404-F406 HydrophobicContact CB-CE2 4.29Å; F404-F406 HydrophobicContact CB-CZ 4.09Å; F404-F406 HydrophobicContact CD2-CZ 4.49Å; F404-F406 PolarHBondContact O-N 3.14Å; F404-I409 HydrophobicContact CB-CD1 4.34Å; F404-I409 HydrophobicContact CD1-CD1 4.09Å; F404-I409 HydrophobicContact CG-CD1 4.47Å; F404-W429 AromaticContact CE1-CD1 3.89Å; F404-W429 HydrophobicContact CE1-CG 4.22Å; F404-W429 HydrophobicContact CE2-CD2 4.3Å; F404-W429 HydrophobicContact CE2-CG 4.33Å; F404-W429 HydrophobicContact CZ-CB 4.13Å; F404-W429 AromaticContact CZ-CD1 3.45Å; F404-W429 VanDerWaalsContact CZ-CD1 3.45Å; F404-W429 AromaticContact CZ-CD2 3.76Å; F404-W429 HydrophobicContact CZ-CD2 3.76Å; F404-W429 AromaticContact CZ-CE2 3.83Å; F404-W429 AromaticContact CZ-CG 3.5Å; F404-W429 HydrophobicContact CZ-CG 3.5Å; F404-W429 VanDerWaalsContact CZ-CG 3.5Å; F404-W429 AromaticContact CZ-NE1 3.65Å; F404-W431 HydrophobicContact CD1-CH2 4.28Å; F404-W431 HydrophobicContact CD1-CZ2 4.17Å; F404-W431 AromaticContact CD2-CZ2 3.77Å; F404-W431 HydrophobicContact CD2-CZ2 3.77Å; F404-W431 HydrophobicContact CE1-CH2 4.2Å; F404-W431 HydrophobicContact CE1-CZ2 4.25Å; F404-W431 AromaticContact CE2-CZ2 3.86Å; F404-W431 HydrophobicContact CE2-CZ2 3.86Å; F404-W431 HydrophobicContact CG-CH2 4.49Å; F404-W431 AromaticContact CG-CZ2 3.94Å; F404-W431 HydrophobicContact CG-CZ2 3.94Å; F404-W431 HydrophobicContact CZ-CH2 4.35Å; F404-W431 HydrophobicContact CZ-CZ2 4.11Å; F404-P451 HydrophobicContact CD2-CG 4.38Å; F404-P451 HydrophobicContact CE2-CB 3.89Å; F404-P451 HydrophobicContact CE2-CG 3.98Å
405	D	81.5	Confident	72.8	Confident	95 Å²	95	83.6 Å²	83.6	51%	0.508	43%	0.434	S	S	.	.			trans	-84.4	93	162.2	-179.4	0.5	0	0	0	108.9	C407 N408 I409	D405-C407 PolarHBondContact O-N 3.18Å; D405-C407 VanDerWaalsContact O-N 3.15Å; D405-C407 WeakPolarHBondContact OD1-CA 3.19Å; D405-C407 VanDerWaalsContact OD1-CB 3.27Å; D405-C407 WeakPolarHBondContact OD1-CB 3.26Å; D405-C407 PolarHBondContact OD1-N 2.87Å; D405-N408 CarbonylContact O-C 3.55Å; D405-N408 PolarHBondContact O-N 3.22Å; D405-N408 PolarHBondContact OD1-N 3.27Å; D405-N408 VanDerWaalsContact OD2-CB 3.3Å; D405-N408 WeakPolarHBondContact OD2-CB 3.4Å; D405-I409 WeakPolarHBondContact O-CB 3.34Å; D405-I409 PolarHBondContact O-N 2.89Å
406	F	78.2	Confident	74.4	Confident	50 Å²	50	80.6 Å²	80.6	22%	0.219	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.7	177.7	-67	-70.6	0	0	0	113.4	F404 N408 W431 F447 S611 L615	F404-F406 HydrophobicContact CB-CE1 4.24Å; F404-F406 HydrophobicContact CB-CE2 4.29Å; F404-F406 HydrophobicContact CB-CZ 4.09Å; F404-F406 HydrophobicContact CD2-CZ 4.49Å; F404-F406 PolarHBondContact O-N 3.14Å; F406-N408 VanDerWaalsContact C-N 3.34Å; F406-W431 AromaticContact CE1-CE2 3.8Å; F406-W431 AromaticContact CE1-CZ2 3.99Å; F406-W431 HydrophobicContact CE1-CZ2 3.99Å; F406-W431 AromaticContact CE1-NE1 3.57Å; F406-W431 HydrophobicContact CZ-CZ2 4.42Å; F406-W431 AromaticContact CZ-NE1 3.62Å; F406-F447 HydrophobicContact CD1-CE2 4.07Å; F406-F447 AromaticContact CD1-CZ 3.71Å; F406-F447 HydrophobicContact CD1-CZ 3.71Å; F406-F447 HydrophobicContact CE1-CE1 4.33Å; F406-F447 AromaticContact CE1-CE2 3.95Å; F406-F447 HydrophobicContact CE1-CE2 3.95Å; F406-F447 AromaticContact CE1-CZ 3.51Å; F406-F447 HydrophobicContact CE1-CZ 3.51Å; F406-F447 HydrophobicContact CG-CE2 4.43Å; F406-F447 HydrophobicContact CG-CZ 4.49Å; F406-F447 HydrophobicContact CZ-CE2 4.19Å; F406-F447 HydrophobicContact CZ-CZ 4.14Å; F406-S611 WeakPolarHBondContact O-CB 3.27Å; F406-L615 HydrophobicContact CD1-CB 4.41Å
407	C	76.9	Confident	76.2	Confident	38 Å²	38	71.9 Å²	71.9	26%	0.257	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-19.1	176.7	-56.1	0	0	0	0	112.3	D405 S611 C617	D405-C407 PolarHBondContact O-N 3.18Å; D405-C407 VanDerWaalsContact O-N 3.15Å; D405-C407 WeakPolarHBondContact OD1-CA 3.19Å; D405-C407 VanDerWaalsContact OD1-CB 3.27Å; D405-C407 WeakPolarHBondContact OD1-CB 3.26Å; D405-C407 PolarHBondContact OD1-N 2.87Å; C407-S611 WeakPolarHBondContact O-CB 3.48Å; C407-S611 PolarHBondContact O-OG 2.91Å; C407-S611 VanDerWaalsContact O-OG 3.09Å; C407-C617 VanDerWaalsContact CA-SG 3.58Å; C407-C617 HydrophobicContact CB-CB 4.09Å; C407-C617 WeakPolarHBondContact CB-SG 3.16Å; C407-C617 WeakPolarHBondContact SG-CB 3.39Å; C407-C617 CovalentContact SG-SG 2.05Å; C407-C617 PolarHBondContact SG-SG 2.57Å
408	N	84.3	Confident	77.7	Confident	110 Å²	110	72.6 Å²	72.6	59%	0.588	36%	0.357	S	S	*	.	S	Bend	trans	-136.6	49.5	-178.6	-167.6	30.4	0	0	0	112.7	D405 F406	D405-N408 CarbonylContact O-C 3.55Å; D405-N408 PolarHBondContact O-N 3.22Å; D405-N408 PolarHBondContact OD1-N 3.27Å; D405-N408 VanDerWaalsContact OD2-CB 3.3Å; D405-N408 WeakPolarHBondContact OD2-CB 3.4Å; F406-N408 VanDerWaalsContact C-N 3.34Å
409	I	85.4	Confident	78.8	Confident	13 Å²	13	69.5 Å²	69.5	7%	0.067	33%	0.334	C	S	.	.			trans	-116.4	140.4	179	-171.2	167.6	0	0	0	110.5	F404 D405 K426 W431 L615	F404-I409 HydrophobicContact CB-CD1 4.34Å; F404-I409 HydrophobicContact CD1-CD1 4.09Å; F404-I409 HydrophobicContact CG-CD1 4.47Å; D405-I409 WeakPolarHBondContact O-CB 3.34Å; D405-I409 PolarHBondContact O-N 2.89Å; I409-K426 HydrophobicContact CD1-CB 4.48Å; I409-K426 HydrophobicContact CD1-CG 4.13Å; I409-K426 HydrophobicContact CG1-CG 4.17Å; I409-W431 HydrophobicContact CD1-CH2 3.91Å; I409-W431 HydrophobicContact CD1-CZ2 4.4Å; I409-L615 HydrophobicContact CG2-CD1 3.29Å
410	S	89.1	Confident	80.1	Confident	22 Å²	22	60.3 Å²	60.3	15%	0.154	29%	0.294	C	S	.	.			trans	-92	162.9	171.2	81.8	0	0	0	0	111.2	K426 G589	S410-K426 WeakPolarHBondContact O-CD 3.41Å; S410-K426 WeakPolarHBondContact OG-CE 3.34Å; S410-K426 PolarHBondContact OG-NZ 2.81Å; S410-G589 VanDerWaalsContact CA-O 3.25Å; S410-G589 WeakPolarHBondContact CA-O 3.43Å; S410-G589 WeakPolarHBondContact CB-O 3.37Å
411	V	90.3	Very high	81.5	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.018	25%	0.254	C	S	.	.			trans	-112.9	124.6	177.2	179.2	0	0	0	0	109.5	A413 I414 V424 A575 L615	V411-A413 WeakPolarHBondContact CG1-O 3.43Å; V411-I414 HydrophobicContact CG1-CD1 3.89Å; V411-I414 HydrophobicContact CG1-CG1 3.46Å; V411-I414 VanDerWaalsContact CG1-CG1 3.46Å; V411-V424 HydrophobicContact CB-CG1 4.4Å; V411-V424 HydrophobicContact CG1-CG1 3.61Å; V411-V424 HydrophobicContact CG2-CG1 3.95Å; V411-A575 HydrophobicContact CG1-CB 4.12Å; V411-L615 HydrophobicContact CG2-CD1 3.97Å
412	D	94.3	Very high	83.1	Confident	41 Å²	41	41.6 Å²	41.6	22%	0.219	22%	0.217	C	C	.	.	S	Bend	trans	-87.1	-35	-180	-60.4	-13.7	0	0	0	111.3	F425 K426 G427 N469	D412-F425 PolarHBondContact N-O 3.28Å; D412-K426 VanDerWaalsContact OD1-CD 3.29Å; D412-K426 WeakPolarHBondContact OD1-CD 3.32Å; D412-K426 IonicContact OD1-NZ 2.8Å; D412-K426 PolarHBondContact OD1-NZ 2.78Å; D412-K426 WeakPolarHBondContact OD2-CA 3.35Å; D412-K426 WeakPolarHBondContact OD2-CD 3.32Å; D412-K426 IonicContact OD2-NZ 3.66Å; D412-G427 PolarHBondContact OD2-N 2.86Å; D412-N469 VanDerWaalsContact O-O 3.11Å
413	A	95.4	Very high	84.5	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	154.4	173.7	0	0	0	0	0	111.5	V411 F425 I468	V411-A413 WeakPolarHBondContact CG1-O 3.43Å; A413-F425 HydrophobicContact CB-CB 4.16Å; A413-F425 HydrophobicContact CB-CD2 4.07Å; A413-F425 HydrophobicContact CB-CG 4.43Å; A413-F425 PolarHBondContact O-N 2.62Å; A413-I468 HydrophobicContact CB-CG2 4.19Å
414	I	93.7	Very high	85.5	Confident	5 Å²	5	30.1 Å²	30.1	3%	0.026	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129.5	170.9	-58	179.6	0	0	0	108.6	V411 L422 Y423 V424 A575 F577 F587	V411-I414 HydrophobicContact CG1-CD1 3.89Å; V411-I414 HydrophobicContact CG1-CG1 3.46Å; V411-I414 VanDerWaalsContact CG1-CG1 3.46Å; I414-L422 HydrophobicContact CG2-CB 4.16Å; I414-L422 HydrophobicContact CG2-CD1 4.17Å; I414-L422 HydrophobicContact CG2-CD2 4.14Å; I414-L422 HydrophobicContact CG2-CG 4.39Å; I414-Y423 CarbonylContact C-O 3.56Å; I414-Y423 VanDerWaalsContact CA-O 3.31Å; I414-Y423 WeakPolarHBondContact CA-O 3.42Å; I414-V424 HydrophobicContact CG1-CG1 4.36Å; I414-V424 HydrophobicContact CG1-CG2 4.41Å; I414-A575 HydrophobicContact CG1-CB 4.4Å; I414-F577 HydrophobicContact CB-CB 4.37Å; I414-F577 HydrophobicContact CB-CD1 4.06Å; I414-F577 HydrophobicContact CB-CG 4.4Å; I414-F577 HydrophobicContact CD1-CD1 3.59Å; I414-F577 HydrophobicContact CD1-CE1 3.62Å; I414-F577 HydrophobicContact CG1-CD1 4.4Å; I414-F577 HydrophobicContact CG2-CB 4.09Å; I414-F577 HydrophobicContact CG2-CD1 3.79Å; I414-F577 HydrophobicContact CG2-CD2 4.45Å; I414-F577 HydrophobicContact CG2-CE1 4.32Å; I414-F577 HydrophobicContact CG2-CG 3.85Å; I414-F587 HydrophobicContact CD1-CD2 4.05Å; I414-F587 HydrophobicContact CD1-CE1 4.35Å; I414-F587 HydrophobicContact CD1-CE2 3.69Å; I414-F587 HydrophobicContact CD1-CZ 3.89Å
415	I	94.1	Very high	86.3	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.3	173.7	-49.2	178.3	0	0	0	108.4	I417 L422 Y423 F425 I479 I481	I415-I417 HydrophobicContact CG2-CD1 4.09Å; I415-I417 HydrophobicContact CG2-CG1 3.76Å; I415-L422 CarbonylContact O-C 3.57Å; I415-L422 WeakPolarHBondContact O-CA 3.33Å; I415-Y423 PolarHBondContact N-O 2.8Å; I415-Y423 PolarHBondContact O-N 3.49Å; I415-F425 HydrophobicContact CB-CE2 4.35Å; I415-F425 HydrophobicContact CD1-CE2 3.58Å; I415-F425 HydrophobicContact CD1-CZ 3.92Å; I415-F425 HydrophobicContact CG1-CD2 4.44Å; I415-F425 HydrophobicContact CG1-CE2 3.7Å; I415-I479 HydrophobicContact CD1-CG2 4.5Å; I415-I479 HydrophobicContact CG2-CG2 4.27Å; I415-I481 HydrophobicContact CD1-CD1 3.36Å
416	K	88.8	Confident	86.8	Confident	45 Å²	45	26.9 Å²	26.9	20%	0.196	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	124.8	169.6	179.6	174	139.6	-171	0	108.6	N419 E421 L422 W435 T578 G579	K416-N419 WeakPolarHBondContact CE-OD1 3.19Å; K416-N419 PolarHBondContact NZ-OD1 3.33Å; K416-E421 WeakPolarHBondContact CA-O 3.3Å; K416-L422 HydrophobicContact CB-CD2 3.68Å; K416-L422 HydrophobicContact CD-CD2 4.45Å; K416-L422 HydrophobicContact CG-CD2 3.99Å; K416-W435 HydrophobicContact CG-CH2 4.37Å; K416-T578 VanDerWaalsContact CD-O 3.29Å; K416-T578 WeakPolarHBondContact CD-O 3.35Å; K416-T578 PolarHBondContact NZ-O 3.46Å; K416-G579 PolarHBondContact NZ-O 2.75Å
417	I	88.3	Confident	87.5	Confident	3 Å²	3	25.9 Å²	25.9	2%	0.015	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.8	-178.5	-66.2	-173.9	0	0	0	109.6	I415 N419 L420 E421 Y423 W458 E473 I479	I415-I417 HydrophobicContact CG2-CD1 4.09Å; I415-I417 HydrophobicContact CG2-CG1 3.76Å; I417-N419 PolarHBondContact O-N 2.8Å; I417-N419 VanDerWaalsContact O-N 3.09Å; I417-L420 PolarHBondContact O-N 3.01Å; I417-L420 VanDerWaalsContact O-N 3.07Å; I417-E421 HydrophobicContact CB-CG 4.28Å; I417-E421 PolarHBondContact N-O 3.44Å; I417-E421 WeakPolarHBondContact O-CG 3.5Å; I417-E421 PolarHBondContact O-N 2.95Å; I417-Y423 HydrophobicContact CB-CD2 4.1Å; I417-Y423 HydrophobicContact CB-CE2 3.82Å; I417-Y423 HydrophobicContact CD1-CD2 3.59Å; I417-Y423 HydrophobicContact CD1-CE2 3.57Å; I417-Y423 HydrophobicContact CD1-CG 4.4Å; I417-Y423 HydrophobicContact CG1-CD2 3.86Å; I417-Y423 HydrophobicContact CG1-CE2 3.95Å; I417-Y423 HydrophobicContact CG2-CE2 4.34Å; I417-W458 HydrophobicContact CD1-CH2 3.83Å; I417-E473 WeakPolarHBondContact CA-OE2 3.25Å; I417-I479 HydrophobicContact CD1-CD1 3.63Å; I417-I479 HydrophobicContact CD1-CG1 4.14Å
418	R	79.9	Confident	88.3	Confident	97 Å²	97	27.7 Å²	27.7	37%	0.366	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	17.8	-179.5	-61.9	168.9	-167.3	123.5	-1	114.9	Y255 L420 E421 E473	Y255-R418 WeakPolarHBondContact CB-O 3.45Å; Y255-R418 HydrophobicContact CD2-CB 3.87Å; Y255-R418 HydrophobicContact CD2-CG 4.05Å; Y255-R418 HydrophobicContact CE2-CB 4.35Å; Y255-R418 HydrophobicContact CE2-CG 4.38Å; Y255-R418 HydrophobicContact CG-CB 4Å; R418-L420 HydrophobicContact CB-CB 4.39Å; R418-L420 HydrophobicContact CB-CD1 4.25Å; R418-L420 HydrophobicContact CB-CG 4.21Å; R418-L420 WeakPolarHBondContact O-CG 3.02Å; R418-L420 PolarHBondContact O-N 3.01Å; R418-L420 VanDerWaalsContact O-N 3.13Å; R418-E421 IonicContact NH1-OE1 3.59Å; R418-E421 PolarHBondContact NH1-OE1 2.94Å; R418-E421 VanDerWaalsContact NH1-OE1 3.17Å; R418-E473 PolarHBondContact N-OE1 3.27Å; R418-E473 PolarHBondContact N-OE2 3.42Å
419	N	75.7	Confident	88.7	Confident	52 Å²	52	25.4 Å²	25.4	28%	0.278	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	29.8	-167.8	-60.7	-40.6	0	0	0	113.6	Y255 K416 I417 W435	Y255-N419 PolarHBondContact O-ND2 3.47Å; K416-N419 WeakPolarHBondContact CE-OD1 3.19Å; K416-N419 PolarHBondContact NZ-OD1 3.33Å; I417-N419 PolarHBondContact O-N 2.8Å; I417-N419 VanDerWaalsContact O-N 3.09Å; N419-W435 WeakPolarHBondContact O-CZ2 3.27Å
420	L	71.6	Confident	89	Confident	9 Å²	9	24.9 Å²	24.9	5%	0.047	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.4	-26.4	-176.9	-70.5	-177.1	0	0	0	114.4	Q218 Y220 Y255 I417 R418	Q218-L420 VanDerWaalsContact C-CD2 3.43Å; Q218-L420 VanDerWaalsContact CA-CD2 3.46Å; Q218-L420 HydrophobicContact CB-CD2 4.48Å; Q218-L420 WeakPolarHBondContact O-CD2 3.24Å; Y220-L420 HydrophobicContact CE2-CD1 4.17Å; Y255-L420 HydrophobicContact CD1-CD1 3.94Å; Y255-L420 HydrophobicContact CD1-CD2 4.31Å; Y255-L420 HydrophobicContact CD1-CG 4.03Å; Y255-L420 HydrophobicContact CE1-CD1 3.39Å; Y255-L420 HydrophobicContact CE1-CD2 4.21Å; Y255-L420 HydrophobicContact CE1-CG 3.97Å; I417-L420 PolarHBondContact O-N 3.01Å; I417-L420 VanDerWaalsContact O-N 3.07Å; R418-L420 HydrophobicContact CB-CB 4.39Å; R418-L420 HydrophobicContact CB-CD1 4.25Å; R418-L420 HydrophobicContact CB-CG 4.21Å; R418-L420 WeakPolarHBondContact O-CG 3.02Å; R418-L420 PolarHBondContact O-N 3.01Å; R418-L420 VanDerWaalsContact O-N 3.13Å
421	E	79.7	Confident	89	Confident	1 Å²	1	24 Å²	24	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	144.2	-170.6	50.3	-176.5	-169.5	0	0	111.3	R227 K416 I417 R418 Y423 V433 W435 R448	R227-E421 IonicContact CZ-OE2 3.8Å; R227-E421 IonicContact NH1-OE2 3.19Å; R227-E421 PolarHBondContact NH1-OE2 3.17Å; R227-E421 IonicContact NH2-OE2 3.03Å; K416-E421 WeakPolarHBondContact CA-O 3.3Å; I417-E421 HydrophobicContact CB-CG 4.28Å; I417-E421 PolarHBondContact N-O 3.44Å; I417-E421 WeakPolarHBondContact O-CG 3.5Å; I417-E421 PolarHBondContact O-N 2.95Å; R418-E421 IonicContact NH1-OE1 3.59Å; R418-E421 PolarHBondContact NH1-OE1 2.94Å; R418-E421 VanDerWaalsContact NH1-OE1 3.17Å; E421-Y423 HydrophobicContact CB-CE2 4.39Å; E421-Y423 VanDerWaalsContact CD-CE2 3.44Å; E421-Y423 HydrophobicContact CG-CD2 4.4Å; E421-Y423 HydrophobicContact CG-CE2 3.62Å; E421-Y423 VanDerWaalsContact OE1-CE2 3.29Å; E421-Y423 WeakPolarHBondContact OE1-CE2 3.23Å; E421-Y423 PolarHBondContact OE1-OH 2.86Å; E421-Y423 PolarHBondContact OE2-OH 3.37Å; E421-V433 WeakPolarHBondContact CA-O 3.42Å; E421-W435 VanDerWaalsContact C-CZ3 3.5Å; E421-R448 IonicContact OE2-CZ 3.3Å; E421-R448 IonicContact OE2-NH1 2.87Å; E421-R448 PolarHBondContact OE2-NH1 2.83Å; E421-R448 IonicContact OE2-NH2 3.01Å; E421-R448 PolarHBondContact OE2-NH2 3.07Å
422	L	87.7	Confident	88.7	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.2	167.8	-56.7	-174.6	0	0	0	108.9	I414 I415 K416 V424 V433 W435 Y445 F577 I614	I414-L422 HydrophobicContact CG2-CB 4.16Å; I414-L422 HydrophobicContact CG2-CD1 4.17Å; I414-L422 HydrophobicContact CG2-CD2 4.14Å; I414-L422 HydrophobicContact CG2-CG 4.39Å; I415-L422 CarbonylContact O-C 3.57Å; I415-L422 WeakPolarHBondContact O-CA 3.33Å; K416-L422 HydrophobicContact CB-CD2 3.68Å; K416-L422 HydrophobicContact CD-CD2 4.45Å; K416-L422 HydrophobicContact CG-CD2 3.99Å; L422-V424 HydrophobicContact CB-CG2 4.34Å; L422-V433 HydrophobicContact CB-CB 4.22Å; L422-V433 PolarHBondContact N-O 2.69Å; L422-V433 PolarHBondContact O-N 3.02Å; L422-W435 HydrophobicContact CD2-CH2 4.49Å; L422-W435 HydrophobicContact CD2-CZ3 3.77Å; L422-W435 HydrophobicContact CG-CE3 4.07Å; L422-W435 HydrophobicContact CG-CZ3 3.68Å; L422-Y445 HydrophobicContact CD1-CD1 3.92Å; L422-Y445 HydrophobicContact CD1-CE1 3.44Å; L422-Y445 VanDerWaalsContact CD1-CE1 3.44Å; L422-Y445 HydrophobicContact CG-CE1 4.33Å; L422-F577 HydrophobicContact CD1-CD2 4.39Å; L422-F577 HydrophobicContact CD1-CE1 4.46Å; L422-F577 HydrophobicContact CD1-CE2 3.74Å; L422-F577 HydrophobicContact CD1-CZ 3.79Å; L422-F577 HydrophobicContact CD2-CD2 3.95Å; L422-F577 HydrophobicContact CD2-CE2 3.99Å; L422-I614 HydrophobicContact CD1-CG2 4.34Å
423	Y	91.2	Very high	88	Confident	8 Å²	8	24.2 Å²	24.2	3%	0.031	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	110.9	166.7	-69.9	-97.8	0	0	0	107.2	I414 I415 I417 E421 F425 Q430 W431 R432 Y457 W458	I414-Y423 CarbonylContact C-O 3.56Å; I414-Y423 VanDerWaalsContact CA-O 3.31Å; I414-Y423 WeakPolarHBondContact CA-O 3.42Å; I415-Y423 PolarHBondContact N-O 2.8Å; I415-Y423 PolarHBondContact O-N 3.49Å; I417-Y423 HydrophobicContact CB-CD2 4.1Å; I417-Y423 HydrophobicContact CB-CE2 3.82Å; I417-Y423 HydrophobicContact CD1-CD2 3.59Å; I417-Y423 HydrophobicContact CD1-CE2 3.57Å; I417-Y423 HydrophobicContact CD1-CG 4.4Å; I417-Y423 HydrophobicContact CG1-CD2 3.86Å; I417-Y423 HydrophobicContact CG1-CE2 3.95Å; I417-Y423 HydrophobicContact CG2-CE2 4.34Å; E421-Y423 HydrophobicContact CB-CE2 4.39Å; E421-Y423 VanDerWaalsContact CD-CE2 3.44Å; E421-Y423 HydrophobicContact CG-CD2 4.4Å; E421-Y423 HydrophobicContact CG-CE2 3.62Å; E421-Y423 VanDerWaalsContact OE1-CE2 3.29Å; E421-Y423 WeakPolarHBondContact OE1-CE2 3.23Å; E421-Y423 PolarHBondContact OE1-OH 2.86Å; E421-Y423 PolarHBondContact OE2-OH 3.37Å; Y423-F425 WeakPolarHBondContact O-CD2 3.42Å; Y423-F425 WeakPolarHBondContact O-CE2 3.46Å; Y423-Q430 VanDerWaalsContact CD1-OE1 3.28Å; Y423-W431 WeakPolarHBondContact CA-O 3.28Å; Y423-R432 HydrophobicContact CD1-CG 4.03Å; Y423-R432 HydrophobicContact CE1-CG 3.71Å; Y423-Y457 HydrophobicContact CD1-CE1 4.19Å; Y423-Y457 HydrophobicContact CE1-CD1 4.38Å; Y423-Y457 AromaticContact CE1-CE1 3.43Å; Y423-Y457 HydrophobicContact CE1-CE1 3.43Å; Y423-Y457 VanDerWaalsContact CE1-CE1 3.43Å; Y423-Y457 AromaticContact CE1-CZ 3.75Å; Y423-Y457 PolarHBondContact OH-OH 2.79Å; Y423-Y457 VanDerWaalsContact OH-OH 3.11Å; Y423-W458 AromaticContact CD1-CZ2 3.75Å; Y423-W458 HydrophobicContact CD1-CZ2 3.75Å; Y423-W458 HydrophobicContact CE1-CZ2 4.12Å; Y423-W458 HydrophobicContact CG-CZ2 4.11Å
424	V	91.6	Very high	86.7	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.8	-178.6	-172.8	0	0	0	0	108.4	V411 I414 L422 Q430 W431 V433 I614 L615	V411-V424 HydrophobicContact CB-CG1 4.4Å; V411-V424 HydrophobicContact CG1-CG1 3.61Å; V411-V424 HydrophobicContact CG2-CG1 3.95Å; I414-V424 HydrophobicContact CG1-CG1 4.36Å; I414-V424 HydrophobicContact CG1-CG2 4.41Å; L422-V424 HydrophobicContact CB-CG2 4.34Å; V424-Q430 CarbonylContact O-C 3.59Å; V424-Q430 WeakPolarHBondContact O-CA 3.41Å; V424-W431 PolarHBondContact N-O 2.98Å; V424-W431 PolarHBondContact O-N 3.49Å; V424-V433 HydrophobicContact CG2-CB 4.48Å; V424-V433 HydrophobicContact CG2-CG2 3.89Å; V424-I614 HydrophobicContact CG2-CG2 4.29Å; V424-L615 HydrophobicContact CB-CD2 4.36Å; V424-L615 HydrophobicContact CG1-CD2 3.95Å
425	F	94.3	Very high	85.4	Confident	1 Å²	1	25.6 Å²	25.6	0%	0.004	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.7	-174.1	-61.4	-94.9	0	0	0	111.2	D412 A413 I415 Y423 W429 Q430 I454 W458 I468	D412-F425 PolarHBondContact N-O 3.28Å; A413-F425 HydrophobicContact CB-CB 4.16Å; A413-F425 HydrophobicContact CB-CD2 4.07Å; A413-F425 HydrophobicContact CB-CG 4.43Å; A413-F425 PolarHBondContact O-N 2.62Å; I415-F425 HydrophobicContact CB-CE2 4.35Å; I415-F425 HydrophobicContact CD1-CE2 3.58Å; I415-F425 HydrophobicContact CD1-CZ 3.92Å; I415-F425 HydrophobicContact CG1-CD2 4.44Å; I415-F425 HydrophobicContact CG1-CE2 3.7Å; Y423-F425 WeakPolarHBondContact O-CD2 3.42Å; Y423-F425 WeakPolarHBondContact O-CE2 3.46Å; F425-W429 WeakPolarHBondContact CA-O 2.77Å; F425-Q430 HydrophobicContact CD1-CB 3.74Å; F425-Q430 HydrophobicContact CE1-CB 3.85Å; F425-Q430 HydrophobicContact CG-CB 4.43Å; F425-I454 HydrophobicContact CD1-CD1 3.82Å; F425-I454 HydrophobicContact CD1-CG1 3.91Å; F425-I454 HydrophobicContact CE1-CD1 4.5Å; F425-I454 HydrophobicContact CE1-CG1 4.21Å; F425-W458 AromaticContact CE1-NE1 3.54Å; F425-W458 AromaticContact CZ-CE2 3.94Å; F425-W458 AromaticContact CZ-CZ2 3.88Å; F425-W458 HydrophobicContact CZ-CZ2 3.88Å; F425-W458 AromaticContact CZ-NE1 3.69Å; F425-I468 HydrophobicContact CB-CB 4.47Å; F425-I468 HydrophobicContact CD1-CB 4.1Å; F425-I468 HydrophobicContact CD1-CG1 3.69Å; F425-I468 HydrophobicContact CE1-CG1 3.79Å; F425-I468 HydrophobicContact CG-CB 4.18Å; F425-I468 HydrophobicContact CG-CG1 4.28Å; F425-I468 HydrophobicContact CZ-CG1 4.46Å
426	K	92.3	Very high	83.5	Confident	62 Å²	62	25.7 Å²	25.7	27%	0.27	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	113.9	170.8	-177.8	52.9	178.6	174.6	0	110.7	I409 S410 D412 E428 W429 W431	I409-K426 HydrophobicContact CD1-CB 4.48Å; I409-K426 HydrophobicContact CD1-CG 4.13Å; I409-K426 HydrophobicContact CG1-CG 4.17Å; S410-K426 WeakPolarHBondContact O-CD 3.41Å; S410-K426 WeakPolarHBondContact OG-CE 3.34Å; S410-K426 PolarHBondContact OG-NZ 2.81Å; D412-K426 VanDerWaalsContact OD1-CD 3.29Å; D412-K426 WeakPolarHBondContact OD1-CD 3.32Å; D412-K426 IonicContact OD1-NZ 2.8Å; D412-K426 PolarHBondContact OD1-NZ 2.78Å; D412-K426 WeakPolarHBondContact OD2-CA 3.35Å; D412-K426 WeakPolarHBondContact OD2-CD 3.32Å; D412-K426 IonicContact OD2-NZ 3.66Å; K426-E428 PolarHBondContact O-N 3.38Å; K426-W429 PolarHBondContact N-O 3.03Å; K426-W429 WeakPolarHBondContact O-CB 3.2Å; K426-W429 PolarHBondContact O-N 3.49Å; K426-W431 HydrophobicContact CB-CH2 3.88Å; K426-W431 HydrophobicContact CB-CZ3 3.57Å
427	G	92.8	Very high	81.6	Confident	29 Å²	29	26.4 Å²	26.4	30%	0.299	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-127.9	-174.3	0	0	0	0	0	110.6	D412 W429 I454 D466 Y467	D412-G427 PolarHBondContact OD2-N 2.86Å; G427-W429 PolarHBondContact O-N 3.48Å; G427-I454 WeakPolarHBondContact O-CD1 3.41Å; G427-D466 CarbonylContact C-O 3.59Å; G427-Y467 WeakPolarHBondContact O-CA 3.45Å; G427-Y467 WeakPolarHBondContact O-CB 3.47Å
428	E	94.2	Very high	79.3	Confident	76 Å²	76	27.8 Å²	27.8	36%	0.355	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-0.4	177	67.6	170.6	178.5	0	0	116	K426 K453 I454 D466	K426-E428 PolarHBondContact O-N 3.38Å; E428-K453 CarbonylContact O-C 3.53Å; E428-K453 VanDerWaalsContact O-CA 3.27Å; E428-K453 WeakPolarHBondContact O-CA 3.41Å; E428-K453 IonicContact OE1-NZ 3.67Å; E428-K453 PolarHBondContact OE1-NZ 3.46Å; E428-K453 IonicContact OE2-NZ 3.63Å; E428-K453 PolarHBondContact OE2-NZ 2.86Å; E428-I454 PolarHBondContact O-N 3.09Å; E428-D466 WeakPolarHBondContact CA-O 3.26Å; E428-D466 WeakPolarHBondContact CB-O 3.46Å; E428-D466 PolarHBondContact N-O 2.88Å
429	W	92.6	Very high	77.3	Confident	62 Å²	62	24.5 Å²	24.5	24%	0.235	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	147.1	-171.8	-59.7	94.5	0	0	0	111.9	F404 F425 K426 G427 W431 P451 A452 K453	F404-W429 AromaticContact CE1-CD1 3.89Å; F404-W429 HydrophobicContact CE1-CG 4.22Å; F404-W429 HydrophobicContact CE2-CD2 4.3Å; F404-W429 HydrophobicContact CE2-CG 4.33Å; F404-W429 HydrophobicContact CZ-CB 4.13Å; F404-W429 AromaticContact CZ-CD1 3.45Å; F404-W429 VanDerWaalsContact CZ-CD1 3.45Å; F404-W429 AromaticContact CZ-CD2 3.76Å; F404-W429 HydrophobicContact CZ-CD2 3.76Å; F404-W429 AromaticContact CZ-CE2 3.83Å; F404-W429 AromaticContact CZ-CG 3.5Å; F404-W429 HydrophobicContact CZ-CG 3.5Å; F404-W429 VanDerWaalsContact CZ-CG 3.5Å; F404-W429 AromaticContact CZ-NE1 3.65Å; F425-W429 WeakPolarHBondContact CA-O 2.77Å; K426-W429 PolarHBondContact N-O 3.03Å; K426-W429 WeakPolarHBondContact O-CB 3.2Å; K426-W429 PolarHBondContact O-N 3.49Å; G427-W429 PolarHBondContact O-N 3.48Å; W429-W431 HydrophobicContact CB-CH2 3.83Å; W429-W431 HydrophobicContact CB-CZ2 4.32Å; W429-W431 HydrophobicContact CB-CZ3 4.18Å; W429-P451 HydrophobicContact CD2-CB 4.43Å; W429-P451 HydrophobicContact CE3-CB 3.72Å; W429-P451 HydrophobicContact CZ3-CB 4.21Å; W429-A452 WeakPolarHBondContact CA-O 3.39Å; W429-K453 HydrophobicContact CE3-CG 4.16Å; W429-K453 HydrophobicContact CH2-CG 4.03Å; W429-K453 HydrophobicContact CZ2-CG 4.41Å; W429-K453 HydrophobicContact CZ3-CG 3.89Å
430	Q	92.4	Very high	75.8	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.8	168.9	71.2	85	67.6	0	0	111.1	Y423 V424 F425 A452 I454	Y423-Q430 VanDerWaalsContact CD1-OE1 3.28Å; V424-Q430 CarbonylContact O-C 3.59Å; V424-Q430 WeakPolarHBondContact O-CA 3.41Å; F425-Q430 HydrophobicContact CD1-CB 3.74Å; F425-Q430 HydrophobicContact CE1-CB 3.85Å; F425-Q430 HydrophobicContact CG-CB 4.43Å; Q430-A452 PolarHBondContact N-O 2.84Å; Q430-A452 PolarHBondContact O-N 3.21Å; Q430-I454 HydrophobicContact CB-CG1 4.22Å; Q430-I454 HydrophobicContact CG-CG1 4.49Å
431	W	88	Confident	74.4	Confident	3 Å²	3	31.9 Å²	31.9	1%	0.011	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.8	170.7	-62.4	-97.1	0	0	0	109.9	F404 F406 I409 Y423 V424 K426 W429 V433 F447 P451	F404-W431 HydrophobicContact CD1-CH2 4.28Å; F404-W431 HydrophobicContact CD1-CZ2 4.17Å; F404-W431 AromaticContact CD2-CZ2 3.77Å; F404-W431 HydrophobicContact CD2-CZ2 3.77Å; F404-W431 HydrophobicContact CE1-CH2 4.2Å; F404-W431 HydrophobicContact CE1-CZ2 4.25Å; F404-W431 AromaticContact CE2-CZ2 3.86Å; F404-W431 HydrophobicContact CE2-CZ2 3.86Å; F404-W431 HydrophobicContact CG-CH2 4.49Å; F404-W431 AromaticContact CG-CZ2 3.94Å; F404-W431 HydrophobicContact CG-CZ2 3.94Å; F404-W431 HydrophobicContact CZ-CH2 4.35Å; F404-W431 HydrophobicContact CZ-CZ2 4.11Å; F406-W431 AromaticContact CE1-CE2 3.8Å; F406-W431 AromaticContact CE1-CZ2 3.99Å; F406-W431 HydrophobicContact CE1-CZ2 3.99Å; F406-W431 AromaticContact CE1-NE1 3.57Å; F406-W431 HydrophobicContact CZ-CZ2 4.42Å; F406-W431 AromaticContact CZ-NE1 3.62Å; I409-W431 HydrophobicContact CD1-CH2 3.91Å; I409-W431 HydrophobicContact CD1-CZ2 4.4Å; Y423-W431 WeakPolarHBondContact CA-O 3.28Å; V424-W431 PolarHBondContact N-O 2.98Å; V424-W431 PolarHBondContact O-N 3.49Å; K426-W431 HydrophobicContact CB-CH2 3.88Å; K426-W431 HydrophobicContact CB-CZ3 3.57Å; W429-W431 HydrophobicContact CB-CH2 3.83Å; W429-W431 HydrophobicContact CB-CZ2 4.32Å; W429-W431 HydrophobicContact CB-CZ3 4.18Å; W431-V433 HydrophobicContact CB-CG2 4.25Å; W431-F447 HydrophobicContact CB-CD1 3.77Å; W431-F447 HydrophobicContact CB-CE1 3.64Å; W431-F447 AromaticContact CD1-CD1 3.64Å; W431-F447 AromaticContact CD1-CE1 3.43Å; W431-F447 VanDerWaalsContact CD1-CE1 3.43Å; W431-F447 HydrophobicContact CD2-CE1 4.4Å; W431-F447 AromaticContact CG-CD1 3.93Å; W431-F447 HydrophobicContact CG-CD1 3.93Å; W431-F447 AromaticContact CG-CE1 3.54Å; W431-F447 HydrophobicContact CG-CE1 3.54Å; W431-F447 HydrophobicContact CG-CZ 4.46Å; W431-P451 HydrophobicContact CZ2-CB 4.02Å
432	R	84.7	Confident	72.6	Confident	50 Å²	50	39.3 Å²	39.3	19%	0.189	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	115.2	172	-50.8	-173.8	-50	166.4	-8.5	106	Y423 R448 D449 Y457	Y423-R432 HydrophobicContact CD1-CG 4.03Å; Y423-R432 HydrophobicContact CE1-CG 3.71Å; R432-R448 HydrophobicContact CB-CB 4.3Å; R432-R448 WeakPolarHBondContact O-CB 3.33Å; R432-R448 PolarHBondContact O-N 2.86Å; R432-D449 IonicContact CZ-OD1 2.88Å; R432-D449 IonicContact CZ-OD2 3.66Å; R432-D449 IonicContact NE-OD2 3.1Å; R432-D449 PolarHBondContact NE-OD2 2.8Å; R432-D449 IonicContact NH2-OD1 3.24Å; R432-D449 PolarHBondContact NH2-OD1 2.81Å; R432-D449 IonicContact NH2-OD2 3.72Å; R432-D449 PolarHBondContact NH2-OD2 2.91Å; R432-Y457 WeakPolarHBondContact CD-OH 2.82Å; R432-Y457 PolarHBondContact NH1-OH 2.63Å
433	V	78.5	Confident	70.9	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122	-175.4	178.6	0	0	0	0	107.5	E421 L422 V424 W431 Y445 Q446 F447	E421-V433 WeakPolarHBondContact CA-O 3.42Å; L422-V433 HydrophobicContact CB-CB 4.22Å; L422-V433 PolarHBondContact N-O 2.69Å; L422-V433 PolarHBondContact O-N 3.02Å; V424-V433 HydrophobicContact CG2-CB 4.48Å; V424-V433 HydrophobicContact CG2-CG2 3.89Å; W431-V433 HydrophobicContact CB-CG2 4.25Å; V433-Y445 HydrophobicContact CG1-CD1 3.83Å; V433-Y445 HydrophobicContact CG1-CG 4.18Å; V433-Q446 CarbonylContact C-O 3.4Å; V433-Q446 WeakPolarHBondContact CA-O 3.34Å; V433-F447 HydrophobicContact CG2-CD1 3.77Å; V433-F447 HydrophobicContact CG2-CE1 3.87Å
434	T	69.5	Low	69.2	Low	19 Å²	19	43.3 Å²	43.3	12%	0.117	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	166.7	168	42.9	0	0	0	0	109.3	Y445 Q446 R448	T434-Y445 CarbonylContact O-C 3.55Å; T434-Y445 WeakPolarHBondContact O-CA 3.37Å; T434-Q446 PolarHBondContact N-O 2.89Å; T434-Q446 PolarHBondContact O-N 3.37Å; T434-Q446 PolarHBondContact OG1-O 3.48Å; T434-R448 HydrophobicContact CG2-CB 4.09Å; T434-R448 HydrophobicContact CG2-CG 4.48Å
435	W	65.5	Low	68	Low	15 Å²	15	44.3 Å²	44.3	6%	0.057	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.9	170.5	52.9	78.8	0	0	0	109.2	K416 N419 E421 L422 I443 T444 Y445 L580	K416-W435 HydrophobicContact CG-CH2 4.37Å; N419-W435 WeakPolarHBondContact O-CZ2 3.27Å; E421-W435 VanDerWaalsContact C-CZ3 3.5Å; L422-W435 HydrophobicContact CD2-CH2 4.49Å; L422-W435 HydrophobicContact CD2-CZ3 3.77Å; L422-W435 HydrophobicContact CG-CE3 4.07Å; L422-W435 HydrophobicContact CG-CZ3 3.68Å; W435-I443 HydrophobicContact CB-CG2 3.6Å; W435-I443 HydrophobicContact CG-CG2 4.24Å; W435-T444 VanDerWaalsContact CA-O 3.26Å; W435-T444 WeakPolarHBondContact CA-O 3.36Å; W435-Y445 HydrophobicContact CB-CD1 4.11Å; W435-Y445 HydrophobicContact CB-CE1 4.33Å; W435-Y445 HydrophobicContact CE3-CE1 4.3Å; W435-L580 HydrophobicContact CD2-CD1 4.11Å; W435-L580 HydrophobicContact CG-CD1 3.76Å; W435-L580 HydrophobicContact CZ2-CD1 4.49Å; W435-L580 HydrophobicContact CZ2-CD2 3.65Å; W435-L580 HydrophobicContact CZ2-CG 4.28Å
436	S	53.5	Low	66.4	Low	3 Å²	3	47.2 Å²	47.2	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.4	160.1	161.5	0	0	0	0	104.6	G266 A267 T438 T444	G266-S436 WeakPolarHBondContact CA-OG 3.45Å; A267-S436 PolarHBondContact N-OG 2.93Å; S436-T438 PolarHBondContact O-N 3.29Å; S436-T444 PolarHBondContact N-O 3.27Å; S436-T444 PolarHBondContact O-N 3.13Å; S436-T444 PolarHBondContact O-OG1 3.07Å
437	K	49.3	Very low	65.1	Low	61 Å²	61	47.3 Å²	47.3	27%	0.265	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	116.9	173.9	-82.1	-179	177.8	168.8	0	105.4	Q264 H270 L580	Q264-K437 VanDerWaalsContact NE2-NZ 3.18Å; H270-K437 CarbonylContact C-O 3.3Å; H270-K437 WeakPolarHBondContact CA-O 3.22Å; H270-K437 WeakPolarHBondContact CB-O 3.34Å; K437-L580 HydrophobicContact CG-CD1 4.02Å
438	T	40	Very low	63.5	Low	31 Å²	31	48.7 Å²	48.7	19%	0.19	24%	0.236	C	C	.	.			trans	-108.3	144.5	159	51	0	0	0	0	110.2	A267 K269 S436 W442 T444	A267-T438 WeakPolarHBondContact O-CG2 3.24Å; K269-T438 CarbonylContact O-C 3.53Å; K269-T438 WeakPolarHBondContact O-CA 3.44Å; K269-T438 WeakPolarHBondContact O-CB 3.4Å; K269-T438 VanDerWaalsContact O-CG2 3.24Å; K269-T438 WeakPolarHBondContact O-CG2 3.16Å; S436-T438 PolarHBondContact O-N 3.29Å; T438-W442 CarbonylContact C-O 3.6Å; T438-W442 PolarHBondContact OG1-O 3.38Å; T438-T444 HydrophobicContact CG2-CG2 4.49Å; T438-T444 WeakPolarHBondContact OG1-CG2 3.47Å; T438-T444 PolarHBondContact OG1-OG1 2.87Å
439	V	37.5	Very low	62	Low	28 Å²	28	48 Å²	48	17%	0.17	23%	0.234	C	C	.	.	S	Bend	trans	-49	142.6	-161.1	169.8	0	0	0	0	115.6	K269 T441	K269-V439 HydrophobicContact CB-CB 3.78Å; K269-V439 HydrophobicContact CB-CG2 3.39Å; K269-V439 HydrophobicContact CD-CB 4.22Å; K269-V439 HydrophobicContact CD-CG2 4.29Å; K269-V439 HydrophobicContact CG-CB 4.36Å; K269-V439 HydrophobicContact CG-CG2 3.94Å; K269-V439 PolarHBondContact O-N 3.05Å; V439-T441 VanDerWaalsContact C-N 3.27Å; V439-T441 PolarHBondContact O-N 3.22Å
440	T	45.2	Very low	60.8	Low	113 Å²	113	46.9 Å²	46.9	69%	0.693	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	32.7	-10	161.4	62.7	0	0	0	0	123.4
441	T	41.9	Very low	60.4	Low	103 Å²	103	49.5 Å²	49.5	63%	0.632	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.8	-1.6	168.7	55.5	0	0	0	0	115	V439	V439-T441 VanDerWaalsContact C-N 3.27Å; V439-T441 PolarHBondContact O-N 3.22Å
442	W	41.2	Very low	60.4	Low	158 Å²	158	50.4 Å²	50.4	60%	0.598	27%	0.267	S	S	*	.			trans	-137.3	110.3	-178.9	-56.9	102.3	0	0	0	110.8	T438	T438-W442 CarbonylContact C-O 3.6Å; T438-W442 PolarHBondContact OG1-O 3.38Å
443	I	53.7	Low	60.7	Low	35 Å²	35	52 Å²	52	18%	0.179	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	124.1	170.2	-60.8	169.9	0	0	0	107.4	W435 Y445 L580	W435-I443 HydrophobicContact CB-CG2 3.6Å; W435-I443 HydrophobicContact CG-CG2 4.24Å; I443-Y445 HydrophobicContact CB-CD2 4.43Å; I443-Y445 HydrophobicContact CB-CE2 3.82Å; I443-Y445 HydrophobicContact CG2-CD1 4.36Å; I443-Y445 HydrophobicContact CG2-CD2 4.06Å; I443-Y445 HydrophobicContact CG2-CE1 3.96Å; I443-Y445 HydrophobicContact CG2-CE2 3.66Å; I443-Y445 HydrophobicContact CG2-CG 4.42Å; I443-Y445 WeakPolarHBondContact O-CD2 3.46Å; I443-L580 HydrophobicContact CD1-CB 3.95Å; I443-L580 HydrophobicContact CD1-CD1 4.03Å; I443-L580 HydrophobicContact CD1-CG 4.23Å; I443-L580 HydrophobicContact CG1-CD1 4.4Å; I443-L580 HydrophobicContact CG2-CD1 4.34Å
444	T	54.9	Low	61.5	Low	57 Å²	57	52 Å²	52	35%	0.35	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	114.9	170.4	38.9	0	0	0	0	110	W435 S436 T438	W435-T444 VanDerWaalsContact CA-O 3.26Å; W435-T444 WeakPolarHBondContact CA-O 3.36Å; S436-T444 PolarHBondContact N-O 3.27Å; S436-T444 PolarHBondContact O-N 3.13Å; S436-T444 PolarHBondContact O-OG1 3.07Å; T438-T444 HydrophobicContact CG2-CG2 4.49Å; T438-T444 WeakPolarHBondContact OG1-CG2 3.47Å; T438-T444 PolarHBondContact OG1-OG1 2.87Å
445	Y	65.9	Low	62.6	Low	23 Å²	23	53 Å²	53	9%	0.09	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	138.9	174.9	-65.3	-85.5	0	0	0	110.2	L422 V433 T434 W435 I443 G613 I614	L422-Y445 HydrophobicContact CD1-CD1 3.92Å; L422-Y445 HydrophobicContact CD1-CE1 3.44Å; L422-Y445 VanDerWaalsContact CD1-CE1 3.44Å; L422-Y445 HydrophobicContact CG-CE1 4.33Å; V433-Y445 HydrophobicContact CG1-CD1 3.83Å; V433-Y445 HydrophobicContact CG1-CG 4.18Å; T434-Y445 CarbonylContact O-C 3.55Å; T434-Y445 WeakPolarHBondContact O-CA 3.37Å; W435-Y445 HydrophobicContact CB-CD1 4.11Å; W435-Y445 HydrophobicContact CB-CE1 4.33Å; W435-Y445 HydrophobicContact CE3-CE1 4.3Å; I443-Y445 HydrophobicContact CB-CD2 4.43Å; I443-Y445 HydrophobicContact CB-CE2 3.82Å; I443-Y445 HydrophobicContact CG2-CD1 4.36Å; I443-Y445 HydrophobicContact CG2-CD2 4.06Å; I443-Y445 HydrophobicContact CG2-CE1 3.96Å; I443-Y445 HydrophobicContact CG2-CE2 3.66Å; I443-Y445 HydrophobicContact CG2-CG 4.42Å; I443-Y445 WeakPolarHBondContact O-CD2 3.46Å; Y445-G613 VanDerWaalsContact CD2-O 3.27Å; Y445-G613 WeakPolarHBondContact CD2-O 3.27Å; Y445-I614 VanDerWaalsContact CB-O 3.32Å; Y445-I614 WeakPolarHBondContact CB-O 3.48Å; Y445-I614 HydrophobicContact CD2-CB 4.26Å; Y445-I614 HydrophobicContact CD2-CG1 3.72Å; Y445-I614 HydrophobicContact CE1-CG1 4.49Å; Y445-I614 HydrophobicContact CE2-CG1 3.58Å; Y445-I614 HydrophobicContact CG-CB 4.37Å; Y445-I614 HydrophobicContact CG-CG1 4.2Å; Y445-I614 HydrophobicContact CG-CG2 4.48Å
446	Q	61.8	Low	63.8	Low	62 Å²	62	61.3 Å²	61.3	29%	0.29	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	138.3	-178.9	-66	177.6	-0.8	0	0	110	V433 T434 R448	V433-Q446 CarbonylContact C-O 3.4Å; V433-Q446 WeakPolarHBondContact CA-O 3.34Å; T434-Q446 PolarHBondContact N-O 2.89Å; T434-Q446 PolarHBondContact O-N 3.37Å; T434-Q446 PolarHBondContact OG1-O 3.48Å; Q446-R448 PolarHBondContact O-N 3.37Å
447	F	64.2	Low	65.6	Low	65 Å²	65	62.8 Å²	62.8	29%	0.285	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	118.4	171.3	-68.3	-62.2	0	0	0	109.8	F406 W431 V433 D449 L615	F406-F447 HydrophobicContact CD1-CE2 4.07Å; F406-F447 AromaticContact CD1-CZ 3.71Å; F406-F447 HydrophobicContact CD1-CZ 3.71Å; F406-F447 HydrophobicContact CE1-CE1 4.33Å; F406-F447 AromaticContact CE1-CE2 3.95Å; F406-F447 HydrophobicContact CE1-CE2 3.95Å; F406-F447 AromaticContact CE1-CZ 3.51Å; F406-F447 HydrophobicContact CE1-CZ 3.51Å; F406-F447 HydrophobicContact CG-CE2 4.43Å; F406-F447 HydrophobicContact CG-CZ 4.49Å; F406-F447 HydrophobicContact CZ-CE2 4.19Å; F406-F447 HydrophobicContact CZ-CZ 4.14Å; W431-F447 HydrophobicContact CB-CD1 3.77Å; W431-F447 HydrophobicContact CB-CE1 3.64Å; W431-F447 AromaticContact CD1-CD1 3.64Å; W431-F447 AromaticContact CD1-CE1 3.43Å; W431-F447 VanDerWaalsContact CD1-CE1 3.43Å; W431-F447 HydrophobicContact CD2-CE1 4.4Å; W431-F447 AromaticContact CG-CD1 3.93Å; W431-F447 HydrophobicContact CG-CD1 3.93Å; W431-F447 AromaticContact CG-CE1 3.54Å; W431-F447 HydrophobicContact CG-CE1 3.54Å; W431-F447 HydrophobicContact CG-CZ 4.46Å; V433-F447 HydrophobicContact CG2-CD1 3.77Å; V433-F447 HydrophobicContact CG2-CE1 3.87Å; F447-D449 VanDerWaalsContact C-N 3.33Å; F447-L615 HydrophobicContact CE1-CD2 3.82Å; F447-L615 WeakPolarHBondContact CE2-O 3.45Å; F447-L615 HydrophobicContact CZ-CB 4.09Å; F447-L615 HydrophobicContact CZ-CD2 3.82Å; F447-L615 WeakPolarHBondContact CZ-O 3.17Å
448	R	59.1	Low	67.8	Low	58 Å²	58	60 Å²	60	22%	0.219	31%	0.308	C	S	.	.	S	Bend	trans	-68.5	-38.1	169.9	-174.3	-179.5	66.5	-164.5	-22.7	111	E421 R432 T434 Q446	E421-R448 IonicContact OE2-CZ 3.3Å; E421-R448 IonicContact OE2-NH1 2.87Å; E421-R448 PolarHBondContact OE2-NH1 2.83Å; E421-R448 IonicContact OE2-NH2 3.01Å; E421-R448 PolarHBondContact OE2-NH2 3.07Å; R432-R448 HydrophobicContact CB-CB 4.3Å; R432-R448 WeakPolarHBondContact O-CB 3.33Å; R432-R448 PolarHBondContact O-N 2.86Å; T434-R448 HydrophobicContact CG2-CB 4.09Å; T434-R448 HydrophobicContact CG2-CG 4.48Å; Q446-R448 PolarHBondContact O-N 3.37Å
449	D	63.6	Low	70.4	Confident	60 Å²	60	60.9 Å²	60.9	32%	0.321	31%	0.314	S	S	.	.	S	Bend	trans	-142.9	163	-177.5	-45.9	-99.4	0	0	0	110.9	R432 F447	R432-D449 IonicContact CZ-OD1 2.88Å; R432-D449 IonicContact CZ-OD2 3.66Å; R432-D449 IonicContact NE-OD2 3.1Å; R432-D449 PolarHBondContact NE-OD2 2.8Å; R432-D449 IonicContact NH2-OD1 3.24Å; R432-D449 PolarHBondContact NH2-OD1 2.81Å; R432-D449 IonicContact NH2-OD2 3.72Å; R432-D449 PolarHBondContact NH2-OD2 2.91Å; F447-D449 VanDerWaalsContact C-N 3.33Å
450	G	67.4	Low	73.1	Confident	40 Å²	40	60.3 Å²	60.3	41%	0.412	31%	0.313	S	S	.	.			trans	-64.2	172	170.9	0	0	0	0	0	113.2	A452	G450-A452 PolarHBondContact O-N 3.28Å
451	P	83.7	Confident	75.6	Confident	55 Å²	55	55.3 Å²	55.3	36%	0.357	28%	0.282	S	S	.	.			trans	-57.8	134.9	176.4	24.7	-33.3	0	0	0	110.6	F404 W429 W431	F404-P451 HydrophobicContact CD2-CG 4.38Å; F404-P451 HydrophobicContact CE2-CB 3.89Å; F404-P451 HydrophobicContact CE2-CG 3.98Å; W429-P451 HydrophobicContact CD2-CB 4.43Å; W429-P451 HydrophobicContact CE3-CB 3.72Å; W429-P451 HydrophobicContact CZ3-CB 4.21Å; W431-P451 HydrophobicContact CZ2-CB 4.02Å
452	A	86.9	Confident	78.3	Confident	22 Å²	22	51.7 Å²	51.7	18%	0.182	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	148.1	172.7	0	0	0	0	0	110.4	W429 Q430 G450	W429-A452 WeakPolarHBondContact CA-O 3.39Å; Q430-A452 PolarHBondContact N-O 2.84Å; Q430-A452 PolarHBondContact O-N 3.21Å; G450-A452 PolarHBondContact O-N 3.28Å
453	K	91.3	Very high	80.8	Confident	83 Å²	83	50.7 Å²	50.7	36%	0.361	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	135.8	173.7	-67.7	-162.1	173.9	-142.6	0	110.7	E428 W429 T455 Y456 Y457	E428-K453 CarbonylContact O-C 3.53Å; E428-K453 VanDerWaalsContact O-CA 3.27Å; E428-K453 WeakPolarHBondContact O-CA 3.41Å; E428-K453 IonicContact OE1-NZ 3.67Å; E428-K453 PolarHBondContact OE1-NZ 3.46Å; E428-K453 IonicContact OE2-NZ 3.63Å; E428-K453 PolarHBondContact OE2-NZ 2.86Å; W429-K453 HydrophobicContact CE3-CG 4.16Å; W429-K453 HydrophobicContact CH2-CG 4.03Å; W429-K453 HydrophobicContact CZ2-CG 4.41Å; W429-K453 HydrophobicContact CZ3-CG 3.89Å; K453-T455 VanDerWaalsContact C-N 3.27Å; K453-T455 PolarHBondContact O-N 3.39Å; K453-Y456 WeakPolarHBondContact O-CB 3.42Å; K453-Y456 PolarHBondContact O-N 3.46Å; K453-Y457 PolarHBondContact O-N 2.94Å
454	I	95.2	Very high	82.8	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-55.3	-45.4	178.7	-67.2	163.9	0	0	0	110.6	F425 G427 E428 Q430 Y456 Y457 W458 I468	F425-I454 HydrophobicContact CD1-CD1 3.82Å; F425-I454 HydrophobicContact CD1-CG1 3.91Å; F425-I454 HydrophobicContact CE1-CD1 4.5Å; F425-I454 HydrophobicContact CE1-CG1 4.21Å; G427-I454 WeakPolarHBondContact O-CD1 3.41Å; E428-I454 PolarHBondContact O-N 3.09Å; Q430-I454 HydrophobicContact CB-CG1 4.22Å; Q430-I454 HydrophobicContact CG-CG1 4.49Å; I454-Y456 PolarHBondContact O-N 3.19Å; I454-Y456 VanDerWaalsContact O-N 3.14Å; I454-Y457 PolarHBondContact O-N 3.12Å; I454-W458 HydrophobicContact CG2-CB 4.48Å; I454-W458 WeakPolarHBondContact O-CB 3.4Å; I454-W458 PolarHBondContact O-N 2.87Å; I454-I468 HydrophobicContact CD1-CG1 4.26Å; I454-I468 HydrophobicContact CG2-CD1 4.31Å; I454-I468 HydrophobicContact CG2-CG1 4.45Å
455	T	92.9	Very high	84.8	Confident	40 Å²	40	50.8 Å²	50.8	25%	0.245	25%	0.252	C	S	.	.	H	α-helix	trans	-64	-19	-179.2	57	0	0	0	0	114.6	K453 K463 D466	K453-T455 VanDerWaalsContact C-N 3.27Å; K453-T455 PolarHBondContact O-N 3.39Å; T455-K463 VanDerWaalsContact CG2-O 3.31Å; T455-K463 WeakPolarHBondContact CG2-O 3.29Å; T455-K463 PolarHBondContact O-NZ 2.94Å; T455-D466 HydrophobicContact CG2-CB 4.35Å
456	Y	91	Very high	86.2	Confident	189 Å²	189	52.9 Å²	52.9	74%	0.741	27%	0.265	S	S	*	.	H	α-helix	trans	-90.6	-46.5	173.2	177.5	-97.2	0	0	0	111.3	K453 I454	K453-Y456 WeakPolarHBondContact O-CB 3.42Å; K453-Y456 PolarHBondContact O-N 3.46Å; I454-Y456 PolarHBondContact O-N 3.19Å; I454-Y456 VanDerWaalsContact O-N 3.14Å
457	Y	91.4	Very high	87.9	Confident	33 Å²	33	53.3 Å²	53.3	13%	0.129	26%	0.264	C	S	.	.	H	α-helix	trans	-77	-30.8	-173.4	-169.5	-86.3	0	0	0	113.6	Y423 R432 K453 I454 P459 N493	Y423-Y457 HydrophobicContact CD1-CE1 4.19Å; Y423-Y457 HydrophobicContact CE1-CD1 4.38Å; Y423-Y457 AromaticContact CE1-CE1 3.43Å; Y423-Y457 HydrophobicContact CE1-CE1 3.43Å; Y423-Y457 VanDerWaalsContact CE1-CE1 3.43Å; Y423-Y457 AromaticContact CE1-CZ 3.75Å; Y423-Y457 PolarHBondContact OH-OH 2.79Å; Y423-Y457 VanDerWaalsContact OH-OH 3.11Å; R432-Y457 WeakPolarHBondContact CD-OH 2.82Å; R432-Y457 PolarHBondContact NH1-OH 2.63Å; K453-Y457 PolarHBondContact O-N 2.94Å; I454-Y457 PolarHBondContact O-N 3.12Å; Y457-P459 WeakPolarHBondContact O-CD 3.19Å; Y457-N493 HydrophobicContact CD1-CB 4.47Å; Y457-N493 HydrophobicContact CE1-CB 4.14Å; Y457-N493 PolarHBondContact O-ND2 2.91Å
458	W	94.9	Very high	89.5	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.008	25%	0.251	C	S	.	.			trans	-112.3	63.2	-179.8	-62.9	90.1	0	0	0	111.4	I417 Y423 F425 I454 A460 L461 I479 L490 N493	I417-W458 HydrophobicContact CD1-CH2 3.83Å; Y423-W458 AromaticContact CD1-CZ2 3.75Å; Y423-W458 HydrophobicContact CD1-CZ2 3.75Å; Y423-W458 HydrophobicContact CE1-CZ2 4.12Å; Y423-W458 HydrophobicContact CG-CZ2 4.11Å; F425-W458 AromaticContact CE1-NE1 3.54Å; F425-W458 AromaticContact CZ-CE2 3.94Å; F425-W458 AromaticContact CZ-CZ2 3.88Å; F425-W458 HydrophobicContact CZ-CZ2 3.88Å; F425-W458 AromaticContact CZ-NE1 3.69Å; I454-W458 HydrophobicContact CG2-CB 4.48Å; I454-W458 WeakPolarHBondContact O-CB 3.4Å; I454-W458 PolarHBondContact O-N 2.87Å; W458-A460 PolarHBondContact O-N 3.23Å; W458-A460 VanDerWaalsContact O-N 3.1Å; W458-L461 HydrophobicContact CB-CD1 3.74Å; W458-L461 HydrophobicContact CB-CG 4.24Å; W458-L461 HydrophobicContact CG-CD1 4.27Å; W458-L461 PolarHBondContact O-N 3.42Å; W458-I479 HydrophobicContact CH2-CD1 4.37Å; W458-I479 HydrophobicContact CZ3-CD1 4.25Å; W458-L490 HydrophobicContact CE3-CD1 3.62Å; W458-L490 HydrophobicContact CZ3-CD1 3.75Å; W458-N493 CarbonylContact C-O 3.59Å; W458-N493 HydrophobicContact CD2-CB 4Å; W458-N493 HydrophobicContact CE3-CB 3.6Å; W458-N493 HydrophobicContact CH2-CB 4.45Å; W458-N493 HydrophobicContact CZ3-CB 3.85Å
459	P	94.3	Very high	91.3	Very high	50 Å²	50	48.7 Å²	48.7	33%	0.325	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.4	-176.3	29	-36.9	0	0	0	114.1	Y457 L461 N493 M494	Y457-P459 WeakPolarHBondContact O-CD 3.19Å; P459-L461 PolarHBondContact O-N 3.04Å; P459-N493 WeakPolarHBondContact CD-O 3.49Å; P459-M494 HydrophobicContact CG-CE 3.72Å; P459-M494 HydrophobicContact CG-SD 3.38Å; P459-M494 WeakPolarHBondContact CG-SD 3.4Å
460	A	95.5	Very high	93	Very high	17 Å²	17	46 Å²	46	14%	0.14	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.9	170.2	0	0	0	0	0	113.1	W458 L490 N493 M496	W458-A460 PolarHBondContact O-N 3.23Å; W458-A460 VanDerWaalsContact O-N 3.1Å; A460-L490 HydrophobicContact CB-CD1 4.49Å; A460-L490 HydrophobicContact CB-CD2 3.75Å; A460-N493 WeakPolarHBondContact CB-O 3.43Å; A460-N493 PolarHBondContact N-O 2.89Å; A460-M496 WeakPolarHBondContact O-CE 3.32Å
461	L	97.4	Very high	94.4	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.042	22%	0.215	C	C	.	.	S	Bend	trans	-83.2	148.1	179.7	-63.6	170.2	0	0	0	110.5	W458 P459 V465 I468 I481 W488 L490	W458-L461 HydrophobicContact CB-CD1 3.74Å; W458-L461 HydrophobicContact CB-CG 4.24Å; W458-L461 HydrophobicContact CG-CD1 4.27Å; W458-L461 PolarHBondContact O-N 3.42Å; P459-L461 PolarHBondContact O-N 3.04Å; L461-V465 HydrophobicContact CB-CB 4.15Å; L461-V465 HydrophobicContact CB-CG1 4.23Å; L461-V465 HydrophobicContact CD1-CG1 3.95Å; L461-V465 HydrophobicContact CG-CG1 4.5Å; L461-I468 HydrophobicContact CD1-CD1 4.17Å; L461-I481 HydrophobicContact CD1-CG1 4.47Å; L461-I481 HydrophobicContact CD1-CG2 4.03Å; L461-I481 HydrophobicContact CD2-CB 4.34Å; L461-I481 HydrophobicContact CD2-CG1 4.48Å; L461-I481 HydrophobicContact CD2-CG2 4.21Å; L461-W488 HydrophobicContact CD2-CB 3.85Å; L461-W488 HydrophobicContact CD2-CD2 3.96Å; L461-W488 HydrophobicContact CD2-CE3 4.48Å; L461-W488 HydrophobicContact CD2-CG 3.67Å; L461-L490 HydrophobicContact CD2-CD1 4.19Å; L461-L490 HydrophobicContact CD2-CD2 4.19Å; L461-L490 HydrophobicContact CG-CD1 4.27Å
462	P	97	Very high	95	Very high	26 Å²	26	42.3 Å²	42.3	17%	0.169	20%	0.201	C	C	.	.			trans	-54.2	146.3	171.5	-25.2	33.4	0	0	0	112.1	Y464 V465 W488 S502	P462-Y464 HydrophobicContact CB-CD1 3.56Å; P462-Y464 HydrophobicContact CB-CE1 3.27Å; P462-Y464 HydrophobicContact CB-CG 4.31Å; P462-Y464 HydrophobicContact CG-CE1 3.9Å; P462-Y464 PolarHBondContact O-N 3.12Å; P462-Y464 VanDerWaalsContact O-N 3.08Å; P462-V465 HydrophobicContact CB-CG2 4.14Å; P462-V465 HydrophobicContact CG-CG2 4.25Å; P462-V465 VanDerWaalsContact O-CB 3.31Å; P462-V465 WeakPolarHBondContact O-CB 3.18Å; P462-V465 PolarHBondContact O-N 2.65Å; P462-W488 HydrophobicContact CG-CZ2 4.31Å; P462-S502 WeakPolarHBondContact CD-O 3.1Å; P462-S502 WeakPolarHBondContact CG-O 3.41Å
463	K	94.7	Very high	95.4	Very high	138 Å²	138	41.8 Å²	41.8	60%	0.6	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.2	-176.2	-66.7	-54.9	-170.6	-166.5	0	115	T455 V465	T455-K463 VanDerWaalsContact CG2-O 3.31Å; T455-K463 WeakPolarHBondContact CG2-O 3.29Å; T455-K463 PolarHBondContact O-NZ 2.94Å; K463-V465 VanDerWaalsContact C-N 3.28Å
464	Y	95.9	Very high	95.4	Very high	93 Å²	93	38.4 Å²	38.4	37%	0.365	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-12.8	174.3	69.4	-103	0	0	0	112.9	P462 D466 R483 K486 W488 D503	P462-Y464 HydrophobicContact CB-CD1 3.56Å; P462-Y464 HydrophobicContact CB-CE1 3.27Å; P462-Y464 HydrophobicContact CB-CG 4.31Å; P462-Y464 HydrophobicContact CG-CE1 3.9Å; P462-Y464 PolarHBondContact O-N 3.12Å; P462-Y464 VanDerWaalsContact O-N 3.08Å; Y464-D466 VanDerWaalsContact C-N 3.27Å; Y464-D466 PolarHBondContact O-N 2.67Å; Y464-R483 VanDerWaalsContact O-CZ 3.25Å; Y464-R483 PolarHBondContact O-NH2 3.36Å; Y464-K486 PolarHBondContact OH-NZ 3.14Å; Y464-W488 HydrophobicContact CE2-CZ2 4.38Å; Y464-D503 WeakPolarHBondContact CE1-OD1 3.29Å; Y464-D503 VanDerWaalsContact CZ-OD1 3.28Å; Y464-D503 PolarHBondContact OH-O 2.86Å; Y464-D503 PolarHBondContact OH-OD1 2.95Å
465	V	97.1	Very high	95.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.193	C	C	.	.			trans	-79.3	83	176.9	180	0	0	0	0	108.1	L461 P462 K463 I468 W488	L461-V465 HydrophobicContact CB-CB 4.15Å; L461-V465 HydrophobicContact CB-CG1 4.23Å; L461-V465 HydrophobicContact CD1-CG1 3.95Å; L461-V465 HydrophobicContact CG-CG1 4.5Å; P462-V465 HydrophobicContact CB-CG2 4.14Å; P462-V465 HydrophobicContact CG-CG2 4.25Å; P462-V465 VanDerWaalsContact O-CB 3.31Å; P462-V465 WeakPolarHBondContact O-CB 3.18Å; P462-V465 PolarHBondContact O-N 2.65Å; K463-V465 VanDerWaalsContact C-N 3.28Å; V465-I468 HydrophobicContact CG1-CD1 3.74Å; V465-W488 HydrophobicContact CG2-CH2 3.78Å; V465-W488 HydrophobicContact CG2-CZ2 3.7Å; V465-W488 HydrophobicContact CG2-CZ3 4.45Å
466	D	95.7	Very high	95	Very high	68 Å²	68	42.9 Å²	42.9	36%	0.364	20%	0.2	S	C	.	.			trans	-104.5	4.4	-175.3	63.2	-19.7	0	0	0	113.1	G427 E428 T455 Y464 R483	G427-D466 CarbonylContact C-O 3.59Å; E428-D466 WeakPolarHBondContact CA-O 3.26Å; E428-D466 WeakPolarHBondContact CB-O 3.46Å; E428-D466 PolarHBondContact N-O 2.88Å; T455-D466 HydrophobicContact CG2-CB 4.35Å; Y464-D466 VanDerWaalsContact C-N 3.27Å; Y464-D466 PolarHBondContact O-N 2.67Å; D466-R483 IonicContact OD1-CZ 3.08Å; D466-R483 IonicContact OD1-NE 3.71Å; D466-R483 IonicContact OD1-NH2 2.71Å; D466-R483 PolarHBondContact OD1-NH2 3.11Å
467	Y	97.2	Very high	94.9	Very high	70 Å²	70	35.9 Å²	35.9	28%	0.275	18%	0.182	S	C	.	.			trans	-155.1	160.2	167.2	63.4	-89.2	0	0	0	109.2	G427 R483 D484	G427-Y467 WeakPolarHBondContact O-CA 3.45Å; G427-Y467 WeakPolarHBondContact O-CB 3.47Å; Y467-R483 HydrophobicContact CD2-CG 4.27Å; Y467-R483 HydrophobicContact CE2-CG 3.83Å; Y467-R483 VanDerWaalsContact O-CD 3.3Å; Y467-R483 WeakPolarHBondContact O-CD 3.4Å; Y467-D484 PolarHBondContact OH-OD1 3.04Å; Y467-D484 PolarHBondContact OH-OD2 3.21Å
468	I	97.8	Very high	95	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	18%	0.176	C	C	.	.			trans	-122.5	130.1	179.9	-55.2	-49.7	0	0	0	108.5	A413 F425 I454 L461 V465 A470 I481	A413-I468 HydrophobicContact CB-CG2 4.19Å; F425-I468 HydrophobicContact CB-CB 4.47Å; F425-I468 HydrophobicContact CD1-CB 4.1Å; F425-I468 HydrophobicContact CD1-CG1 3.69Å; F425-I468 HydrophobicContact CE1-CG1 3.79Å; F425-I468 HydrophobicContact CG-CB 4.18Å; F425-I468 HydrophobicContact CG-CG1 4.28Å; F425-I468 HydrophobicContact CZ-CG1 4.46Å; I454-I468 HydrophobicContact CD1-CG1 4.26Å; I454-I468 HydrophobicContact CG2-CD1 4.31Å; I454-I468 HydrophobicContact CG2-CG1 4.45Å; L461-I468 HydrophobicContact CD1-CD1 4.17Å; V465-I468 HydrophobicContact CG1-CD1 3.74Å; I468-A470 WeakPolarHBondContact CG2-O 3.44Å; I468-I481 HydrophobicContact CD1-CG2 3.37Å; I468-I481 HydrophobicContact CG1-CG2 4.24Å; I468-I481 HydrophobicContact CG2-CG2 4.09Å
469	N	97.3	Very high	95.1	Very high	25 Å²	25	34.6 Å²	34.6	13%	0.134	18%	0.177	C	C	.	.	S	Bend	trans	-82.4	-39.8	173.2	-60.3	117.5	0	0	0	111.9	D412 F482 R483 D484 V519	D412-N469 VanDerWaalsContact O-O 3.11Å; N469-F482 PolarHBondContact N-O 3.19Å; N469-R483 VanDerWaalsContact OD1-CA 3.26Å; N469-R483 WeakPolarHBondContact OD1-CA 3.25Å; N469-D484 PolarHBondContact OD1-N 3.42Å; N469-V519 VanDerWaalsContact CB-O 3.24Å; N469-V519 WeakPolarHBondContact CB-O 3.31Å
470	A	97.8	Very high	95.3	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.033	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	164.8	178.5	0	0	0	0	0	110.7	I468 F482 V519 V522	I468-A470 WeakPolarHBondContact CG2-O 3.44Å; A470-F482 HydrophobicContact CB-CB 4.27Å; A470-F482 HydrophobicContact CB-CD2 4.21Å; A470-F482 WeakPolarHBondContact O-CB 3.43Å; A470-F482 PolarHBondContact O-N 2.78Å; A470-V519 HydrophobicContact CB-CG1 3.95Å; A470-V522 HydrophobicContact CB-CB 4.33Å; A470-V522 HydrophobicContact CB-CG2 3.82Å
471	G	97.3	Very high	95.4	Very high	2 Å²	2	31.4 Å²	31.4	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	163.8	170.7	0	0	0	0	0	111.9	Y480	G471-Y480 CarbonylContact C-O 3.47Å; G471-Y480 WeakPolarHBondContact CA-O 3.25Å
472	I	96.6	Very high	95.5	Very high	14 Å²	14	31 Å²	31	7%	0.072	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	148	179.9	-166.6	167.7	0	0	0	111	I479 Y480 V522 L524 I531	I472-I479 CarbonylContact O-C 3.57Å; I472-I479 WeakPolarHBondContact O-CA 3.13Å; I472-Y480 HydrophobicContact CG2-CD2 3.82Å; I472-Y480 HydrophobicContact CG2-CG 4.48Å; I472-Y480 PolarHBondContact N-O 3.41Å; I472-Y480 PolarHBondContact O-N 3.18Å; I472-V522 HydrophobicContact CB-CG1 3.93Å; I472-V522 HydrophobicContact CD1-CG1 4.17Å; I472-V522 HydrophobicContact CG2-CB 4.48Å; I472-V522 HydrophobicContact CG2-CG1 3.54Å; I472-L524 HydrophobicContact CD1-CB 3.85Å; I472-I531 HydrophobicContact CD1-CD1 4.38Å; I472-I531 HydrophobicContact CD1-CG1 4.08Å; I472-I531 HydrophobicContact CD1-CG2 4.04Å; I472-I531 HydrophobicContact CG2-CD1 4.4Å; I472-I531 HydrophobicContact CG2-CG2 4.23Å
473	E	94.1	Very high	95.5	Very high	11 Å²	11	31.5 Å²	31.5	5%	0.051	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.6	166.1	-168.3	-179.8	-134.9	0	0	110.2	Y256 I417 R418 I479	Y256-E473 VanDerWaalsContact OH-CD 3.27Å; Y256-E473 PolarHBondContact OH-OE2 3.33Å; I417-E473 WeakPolarHBondContact CA-OE2 3.25Å; R418-E473 PolarHBondContact N-OE1 3.27Å; R418-E473 PolarHBondContact N-OE2 3.42Å; E473-I479 HydrophobicContact CB-CG1 4.5Å; E473-I479 HydrophobicContact CG-CG1 4.33Å
474	R	92.2	Very high	95.6	Very high	12 Å²	12	27.5 Å²	27.5	5%	0.045	14%	0.137	C	C	.	.			trans	-76	169.8	173.7	-74	159.4	53	113.5	5.6	111.4	D476 A477 A478 Y480 I531 E544	R474-D476 WeakPolarHBondContact CB-OD1 3.42Å; R474-D476 IonicContact CZ-OD1 2.74Å; R474-D476 IonicContact CZ-OD2 2.92Å; R474-D476 IonicContact NE-OD1 2.88Å; R474-D476 PolarHBondContact NE-OD1 2.94Å; R474-D476 IonicContact NE-OD2 3.15Å; R474-D476 PolarHBondContact NE-OD2 2.95Å; R474-D476 IonicContact NH2-OD1 3.6Å; R474-D476 IonicContact NH2-OD2 3.74Å; R474-D476 PolarHBondContact NH2-OD2 3.38Å; R474-D476 PolarHBondContact O-N 3.31Å; R474-A477 WeakPolarHBondContact O-CA 3.15Å; R474-A477 PolarHBondContact O-N 3.16Å; R474-A478 WeakPolarHBondContact CB-O 3.4Å; R474-A478 PolarHBondContact N-O 2.85Å; R474-Y480 HydrophobicContact CG-CD2 3.7Å; R474-Y480 HydrophobicContact CG-CE2 3.3Å; R474-Y480 PolarHBondContact NH1-OH 3.05Å; R474-I531 HydrophobicContact CG-CD1 4.31Å; R474-E544 PolarHBondContact NH1-O 3.37Å; R474-E544 VanDerWaalsContact NH1-O 3.08Å; R474-E544 PolarHBondContact NH2-O 3.08Å
475	H	90.1	Very high	95.7	Very high	60 Å²	60	27.2 Å²	27.2	28%	0.278	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.1	174.3	-62.2	90.3	0	0	0	113.5	A477 Q529 E544	H475-A477 PolarHBondContact O-N 2.88Å; H475-Q529 PolarHBondContact CE1-O 3.06Å; H475-Q529 PolarHBondContact NE2-O 2.88Å; H475-E544 IonicContact CE1-OE1 3.37Å; H475-E544 PolarHBondContact CE1-OE1 3.18Å; H475-E544 IonicContact CG-OE1 3.18Å; H475-E544 IonicContact CG-OE2 3.28Å; H475-E544 PolarHBondContact N-OE2 2.88Å; H475-E544 IonicContact ND1-OE1 2.76Å; H475-E544 PolarHBondContact ND1-OE1 2.76Å; H475-E544 IonicContact ND1-OE2 3.62Å; H475-E544 PolarHBondContact ND1-OE2 2.98Å; H475-E544 VanDerWaalsContact ND1-OE2 3.1Å
476	D	89	Confident	95.8	Very high	76 Å²	76	30.1 Å²	30.1	41%	0.406	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	15.3	172.1	70.2	-12.2	0	0	0	113.4	R474 A478 K497	R474-D476 WeakPolarHBondContact CB-OD1 3.42Å; R474-D476 IonicContact CZ-OD1 2.74Å; R474-D476 IonicContact CZ-OD2 2.92Å; R474-D476 IonicContact NE-OD1 2.88Å; R474-D476 PolarHBondContact NE-OD1 2.94Å; R474-D476 IonicContact NE-OD2 3.15Å; R474-D476 PolarHBondContact NE-OD2 2.95Å; R474-D476 IonicContact NH2-OD1 3.6Å; R474-D476 IonicContact NH2-OD2 3.74Å; R474-D476 PolarHBondContact NH2-OD2 3.38Å; R474-D476 PolarHBondContact O-N 3.31Å; D476-A478 PolarHBondContact O-N 2.89Å; D476-A478 VanDerWaalsContact O-N 3.11Å; D476-A478 VanDerWaalsContact OD1-CB 3.32Å; D476-A478 WeakPolarHBondContact OD1-CB 3.22Å; D476-A478 PolarHBondContact OD1-N 3.08Å; D476-K497 IonicContact OD2-NZ 2.88Å; D476-K497 PolarHBondContact OD2-NZ 3.1Å
477	A	90.6	Very high	95.9	Very high	43 Å²	43	26.9 Å²	26.9	36%	0.355	13%	0.133	S	C	.	.	S	Bend	trans	61.4	7.1	-176.1	0	0	0	0	0	115.5	R474 H475	R474-A477 WeakPolarHBondContact O-CA 3.15Å; R474-A477 PolarHBondContact O-N 3.16Å; H475-A477 PolarHBondContact O-N 2.88Å
478	A	93.4	Very high	95.9	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.008	12%	0.12	C	C	.	.			trans	-77.4	144.7	172.5	0	0	0	0	0	110.6	R474 D476 L489 L490 K497	R474-A478 WeakPolarHBondContact CB-O 3.4Å; R474-A478 PolarHBondContact N-O 2.85Å; D476-A478 PolarHBondContact O-N 2.89Å; D476-A478 VanDerWaalsContact O-N 3.11Å; D476-A478 VanDerWaalsContact OD1-CB 3.32Å; D476-A478 WeakPolarHBondContact OD1-CB 3.22Å; D476-A478 PolarHBondContact OD1-N 3.08Å; A478-L489 HydrophobicContact CB-CD1 3.69Å; A478-L489 HydrophobicContact CB-CG 4.22Å; A478-L490 CarbonylContact C-O 3.51Å; A478-L490 WeakPolarHBondContact CA-O 3.21Å; A478-L490 WeakPolarHBondContact CB-O 3.36Å; A478-K497 HydrophobicContact CB-CD 4.39Å
479	I	96.5	Very high	95.9	Very high	6 Å²	6	23.5 Å²	23.5	3%	0.031	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	118.2	-171.1	-55.5	154.7	0	0	0	109.4	I415 I417 W458 I472 E473 I481 L489 L490	I415-I479 HydrophobicContact CD1-CG2 4.5Å; I415-I479 HydrophobicContact CG2-CG2 4.27Å; I417-I479 HydrophobicContact CD1-CD1 3.63Å; I417-I479 HydrophobicContact CD1-CG1 4.14Å; W458-I479 HydrophobicContact CH2-CD1 4.37Å; W458-I479 HydrophobicContact CZ3-CD1 4.25Å; I472-I479 CarbonylContact O-C 3.57Å; I472-I479 WeakPolarHBondContact O-CA 3.13Å; E473-I479 HydrophobicContact CB-CG1 4.5Å; E473-I479 HydrophobicContact CG-CG1 4.33Å; I479-I481 HydrophobicContact CG2-CD1 3.94Å; I479-I481 HydrophobicContact CG2-CG1 4.31Å; I479-L489 WeakPolarHBondContact O-CA 3.22Å; I479-L490 HydrophobicContact CB-CB 4.31Å; I479-L490 PolarHBondContact N-O 3.19Å; I479-L490 PolarHBondContact O-N 2.73Å
480	Y	98	Very high	95.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	136.6	165.6	-71.9	-70.4	0	0	0	110.6	G471 I472 R474 F482 F487 W488 L489 L510 L542 F549	G471-Y480 CarbonylContact C-O 3.47Å; G471-Y480 WeakPolarHBondContact CA-O 3.25Å; I472-Y480 HydrophobicContact CG2-CD2 3.82Å; I472-Y480 HydrophobicContact CG2-CG 4.48Å; I472-Y480 PolarHBondContact N-O 3.41Å; I472-Y480 PolarHBondContact O-N 3.18Å; R474-Y480 HydrophobicContact CG-CD2 3.7Å; R474-Y480 HydrophobicContact CG-CE2 3.3Å; R474-Y480 PolarHBondContact NH1-OH 3.05Å; Y480-F482 HydrophobicContact CD1-CZ 4.33Å; Y480-F482 HydrophobicContact CG-CE2 4.16Å; Y480-F482 HydrophobicContact CG-CZ 4.24Å; Y480-F487 AromaticContact CD1-CD2 3.97Å; Y480-F487 HydrophobicContact CD1-CD2 3.97Å; Y480-F487 HydrophobicContact CD1-CE2 4.38Å; Y480-F487 HydrophobicContact CE1-CD2 4.16Å; Y480-F487 HydrophobicContact CE1-CE2 4.12Å; Y480-W488 WeakPolarHBondContact CA-O 3.35Å; Y480-L489 HydrophobicContact CD1-CD1 3.87Å; Y480-L489 HydrophobicContact CE1-CD1 3.89Å; Y480-L489 HydrophobicContact CE1-CD2 4.45Å; Y480-L489 HydrophobicContact CG-CD1 4.2Å; Y480-L510 HydrophobicContact CE1-CD2 4.19Å; Y480-L542 HydrophobicContact CD2-CD2 4.31Å; Y480-L542 HydrophobicContact CE2-CD2 3.54Å; Y480-F549 PolarHBondContact OH-O 2.54Å
481	I	98.2	Very high	95.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.1	169.5	-60.2	-64.5	0	0	0	107.7	I415 L461 I468 I479 F487 W488 L490	I415-I481 HydrophobicContact CD1-CD1 3.36Å; L461-I481 HydrophobicContact CD1-CG1 4.47Å; L461-I481 HydrophobicContact CD1-CG2 4.03Å; L461-I481 HydrophobicContact CD2-CB 4.34Å; L461-I481 HydrophobicContact CD2-CG1 4.48Å; L461-I481 HydrophobicContact CD2-CG2 4.21Å; I468-I481 HydrophobicContact CD1-CG2 3.37Å; I468-I481 HydrophobicContact CG1-CG2 4.24Å; I468-I481 HydrophobicContact CG2-CG2 4.09Å; I479-I481 HydrophobicContact CG2-CD1 3.94Å; I479-I481 HydrophobicContact CG2-CG1 4.31Å; I481-F487 CarbonylContact O-C 3.59Å; I481-F487 WeakPolarHBondContact O-CA 3.48Å; I481-W488 HydrophobicContact CB-CB 4.41Å; I481-W488 HydrophobicContact CG2-CE3 4.46Å; I481-W488 PolarHBondContact N-O 2.97Å; I481-W488 PolarHBondContact O-N 3.47Å; I481-L490 HydrophobicContact CG1-CD1 3.78Å; I481-L490 HydrophobicContact CG1-CG 4.34Å
482	F	98.3	Very high	95.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.5	179.7	-62.9	-92.4	0	0	0	110.4	N469 A470 Y480 F487 L507 L510 V519 V522 I533	N469-F482 PolarHBondContact N-O 3.19Å; A470-F482 HydrophobicContact CB-CB 4.27Å; A470-F482 HydrophobicContact CB-CD2 4.21Å; A470-F482 WeakPolarHBondContact O-CB 3.43Å; A470-F482 PolarHBondContact O-N 2.78Å; Y480-F482 HydrophobicContact CD1-CZ 4.33Å; Y480-F482 HydrophobicContact CG-CE2 4.16Å; Y480-F482 HydrophobicContact CG-CZ 4.24Å; F482-F487 HydrophobicContact CD1-CB 3.61Å; F482-F487 HydrophobicContact CE1-CB 3.74Å; F482-F487 HydrophobicContact CE1-CG 4.38Å; F482-F487 HydrophobicContact CG-CB 4.34Å; F482-L507 HydrophobicContact CD1-CD2 3.78Å; F482-L507 HydrophobicContact CE1-CD2 4.19Å; F482-L510 HydrophobicContact CE1-CD1 3.49Å; F482-L510 VanDerWaalsContact CE1-CD1 3.49Å; F482-L510 HydrophobicContact CZ-CD1 3.94Å; F482-V519 HydrophobicContact CB-CB 4.26Å; F482-V519 HydrophobicContact CD1-CB 4.11Å; F482-V519 HydrophobicContact CD1-CG2 3.72Å; F482-V519 HydrophobicContact CE1-CG2 4.07Å; F482-V519 HydrophobicContact CG-CB 4.22Å; F482-V519 HydrophobicContact CG-CG1 4.47Å; F482-V519 HydrophobicContact CG-CG2 4.33Å; F482-V522 HydrophobicContact CD2-CG2 4.01Å; F482-V522 HydrophobicContact CE2-CG2 3.75Å; F482-V522 HydrophobicContact CZ-CG2 4.32Å; F482-I533 HydrophobicContact CZ-CD1 4.23Å
483	R	97.6	Very high	94.9	Very high	36 Å²	36	27.7 Å²	27.7	14%	0.136	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	120.6	171.2	-177	-178.2	179.9	-100.6	15.5	109.7	Y464 D466 Y467 N469 K485 K486 W488	Y464-R483 VanDerWaalsContact O-CZ 3.25Å; Y464-R483 PolarHBondContact O-NH2 3.36Å; D466-R483 IonicContact OD1-CZ 3.08Å; D466-R483 IonicContact OD1-NE 3.71Å; D466-R483 IonicContact OD1-NH2 2.71Å; D466-R483 PolarHBondContact OD1-NH2 3.11Å; Y467-R483 HydrophobicContact CD2-CG 4.27Å; Y467-R483 HydrophobicContact CE2-CG 3.83Å; Y467-R483 VanDerWaalsContact O-CD 3.3Å; Y467-R483 WeakPolarHBondContact O-CD 3.4Å; N469-R483 VanDerWaalsContact OD1-CA 3.26Å; N469-R483 WeakPolarHBondContact OD1-CA 3.25Å; R483-K485 PolarHBondContact O-N 3.37Å; R483-K486 CarbonylContact C-O 3.45Å; R483-K486 PolarHBondContact N-O 3.07Å; R483-K486 PolarHBondContact O-N 3Å; R483-W488 HydrophobicContact CB-CH2 4.19Å; R483-W488 HydrophobicContact CB-CZ3 3.72Å
484	D	96.9	Very high	94.8	Very high	54 Å²	54	32.8 Å²	32.8	29%	0.289	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-131	-176	-47.9	-47.4	0	0	0	110.5	Y467 N469 K486 E517 R518	Y467-D484 PolarHBondContact OH-OD1 3.04Å; Y467-D484 PolarHBondContact OH-OD2 3.21Å; N469-D484 PolarHBondContact OD1-N 3.42Å; D484-K486 PolarHBondContact O-N 2.87Å; D484-E517 CarbonylContact C-O 3.59Å; D484-E517 VanDerWaalsContact CA-O 3.32Å; D484-E517 WeakPolarHBondContact CA-O 3.46Å; D484-R518 WeakPolarHBondContact O-CA 3.31Å
485	K	98	Very high	94.9	Very high	88 Å²	88	39.3 Å²	39.3	38%	0.383	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	10.7	178.2	-63.7	-170.4	173.3	168.5	0	114.4	R483 P506 L507 L516 E517	R483-K485 PolarHBondContact O-N 3.37Å; K485-P506 CarbonylContact O-C 3.53Å; K485-P506 VanDerWaalsContact O-CA 3.27Å; K485-P506 WeakPolarHBondContact O-CA 3.49Å; K485-L507 PolarHBondContact O-N 2.86Å; K485-L516 WeakPolarHBondContact CE-O 3.25Å; K485-E517 WeakPolarHBondContact CE-OE1 3.49Å; K485-E517 WeakPolarHBondContact CE-OE2 3.33Å; K485-E517 WeakPolarHBondContact CG-O 3.18Å; K485-E517 PolarHBondContact N-O 2.88Å; K485-E517 IonicContact NZ-OE1 3.63Å; K485-E517 PolarHBondContact NZ-OE1 2.87Å; K485-E517 IonicContact NZ-OE2 2.71Å; K485-E517 PolarHBondContact NZ-OE2 2.9Å; K485-E517 VanDerWaalsContact NZ-OE2 3.08Å
486	K	98.3	Very high	95.2	Very high	61 Å²	61	38.1 Å²	38.1	27%	0.265	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	155.6	-177.1	-71.7	-173.9	171.4	-169.7	0	113.1	Y464 R483 D484 W488 D503 L505	Y464-K486 PolarHBondContact OH-NZ 3.14Å; R483-K486 CarbonylContact C-O 3.45Å; R483-K486 PolarHBondContact N-O 3.07Å; R483-K486 PolarHBondContact O-N 3Å; D484-K486 PolarHBondContact O-N 2.87Å; K486-W488 HydrophobicContact CB-CH2 3.6Å; K486-W488 HydrophobicContact CB-CZ2 4.29Å; K486-W488 HydrophobicContact CB-CZ3 3.81Å; K486-W488 HydrophobicContact CD-CH2 4.18Å; K486-W488 HydrophobicContact CD-CZ2 4.26Å; K486-D503 WeakPolarHBondContact CD-O 3.48Å; K486-D503 VanDerWaalsContact NZ-CG 3.31Å; K486-D503 PolarHBondContact NZ-O 2.79Å; K486-D503 IonicContact NZ-OD1 3.29Å; K486-D503 IonicContact NZ-OD2 2.82Å; K486-D503 PolarHBondContact NZ-OD2 2.71Å; K486-L505 CarbonylContact C-O 3.52Å; K486-L505 WeakPolarHBondContact CA-O 3.35Å
487	F	98.3	Very high	95.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	157.3	169.5	78.8	-78.2	0	0	0	111.7	Y480 I481 F482 F500 G504 L505 P506 L507 D509 L510 F549	Y480-F487 AromaticContact CD1-CD2 3.97Å; Y480-F487 HydrophobicContact CD1-CD2 3.97Å; Y480-F487 HydrophobicContact CD1-CE2 4.38Å; Y480-F487 HydrophobicContact CE1-CD2 4.16Å; Y480-F487 HydrophobicContact CE1-CE2 4.12Å; I481-F487 CarbonylContact O-C 3.59Å; I481-F487 WeakPolarHBondContact O-CA 3.48Å; F482-F487 HydrophobicContact CD1-CB 3.61Å; F482-F487 HydrophobicContact CE1-CB 3.74Å; F482-F487 HydrophobicContact CE1-CG 4.38Å; F482-F487 HydrophobicContact CG-CB 4.34Å; F487-F500 HydrophobicContact CD2-CE2 4.3Å; F487-F500 AromaticContact CD2-CZ 3.82Å; F487-F500 HydrophobicContact CD2-CZ 3.82Å; F487-F500 AromaticContact CE2-CE2 3.52Å; F487-F500 HydrophobicContact CE2-CE2 3.52Å; F487-F500 AromaticContact CE2-CZ 3.42Å; F487-F500 HydrophobicContact CE2-CZ 3.42Å; F487-F500 VanDerWaalsContact CE2-CZ 3.42Å; F487-F500 AromaticContact CZ-CE2 3.96Å; F487-F500 HydrophobicContact CZ-CE2 3.96Å; F487-F500 AromaticContact CZ-CZ 3.84Å; F487-F500 HydrophobicContact CZ-CZ 3.84Å; F487-G504 VanDerWaalsContact O-CA 3.31Å; F487-G504 WeakPolarHBondContact O-CA 3.21Å; F487-L505 HydrophobicContact CD1-CB 4.07Å; F487-L505 VanDerWaalsContact CD1-O 3.23Å; F487-L505 WeakPolarHBondContact CD1-O 3.47Å; F487-L505 HydrophobicContact CE1-CB 3.42Å; F487-L505 VanDerWaalsContact CE1-CB 3.42Å; F487-L505 HydrophobicContact CE1-CD1 4.47Å; F487-L505 HydrophobicContact CZ-CB 3.78Å; F487-L505 HydrophobicContact CZ-CD1 4.05Å; F487-L505 PolarHBondContact N-O 2.62Å; F487-L505 PolarHBondContact O-N 3.09Å; F487-P506 WeakPolarHBondContact CE1-O 3.2Å; F487-L507 HydrophobicContact CB-CD2 4.33Å; F487-D509 HydrophobicContact CE1-CB 4.23Å; F487-L510 HydrophobicContact CB-CD1 4.31Å; F487-L510 HydrophobicContact CD1-CD1 3.7Å; F487-L510 HydrophobicContact CD1-CG 3.91Å; F487-L510 HydrophobicContact CD2-CD1 3.84Å; F487-L510 HydrophobicContact CD2-CD2 4.45Å; F487-L510 HydrophobicContact CD2-CG 4.21Å; F487-L510 HydrophobicContact CE1-CD1 3.91Å; F487-L510 HydrophobicContact CE1-CD2 4.36Å; F487-L510 HydrophobicContact CE1-CG 3.57Å; F487-L510 HydrophobicContact CE2-CD1 4.01Å; F487-L510 HydrophobicContact CE2-CD2 3.86Å; F487-L510 HydrophobicContact CE2-CG 3.87Å; F487-L510 HydrophobicContact CG-CD1 3.67Å; F487-L510 HydrophobicContact CG-CG 4.23Å; F487-L510 HydrophobicContact CZ-CD1 4.07Å; F487-L510 HydrophobicContact CZ-CD2 3.83Å; F487-L510 HydrophobicContact CZ-CG 3.55Å; F487-F549 HydrophobicContact CE2-CB 4.41Å; F487-F549 AromaticContact CZ-CD2 3.98Å; F487-F549 HydrophobicContact CZ-CD2 3.98Å; F487-F549 HydrophobicContact CZ-CE2 4.43Å; F487-F549 HydrophobicContact CZ-CG 4.3Å
488	W	98.4	Very high	95.6	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	155.4	174.2	-64.4	-98.2	0	0	0	110	L461 P462 Y464 V465 Y480 I481 R483 K486 L490 M496 F500 S502 G504	L461-W488 HydrophobicContact CD2-CB 3.85Å; L461-W488 HydrophobicContact CD2-CD2 3.96Å; L461-W488 HydrophobicContact CD2-CE3 4.48Å; L461-W488 HydrophobicContact CD2-CG 3.67Å; P462-W488 HydrophobicContact CG-CZ2 4.31Å; Y464-W488 HydrophobicContact CE2-CZ2 4.38Å; V465-W488 HydrophobicContact CG2-CH2 3.78Å; V465-W488 HydrophobicContact CG2-CZ2 3.7Å; V465-W488 HydrophobicContact CG2-CZ3 4.45Å; Y480-W488 WeakPolarHBondContact CA-O 3.35Å; I481-W488 HydrophobicContact CB-CB 4.41Å; I481-W488 HydrophobicContact CG2-CE3 4.46Å; I481-W488 PolarHBondContact N-O 2.97Å; I481-W488 PolarHBondContact O-N 3.47Å; R483-W488 HydrophobicContact CB-CH2 4.19Å; R483-W488 HydrophobicContact CB-CZ3 3.72Å; K486-W488 HydrophobicContact CB-CH2 3.6Å; K486-W488 HydrophobicContact CB-CZ2 4.29Å; K486-W488 HydrophobicContact CB-CZ3 3.81Å; K486-W488 HydrophobicContact CD-CH2 4.18Å; K486-W488 HydrophobicContact CD-CZ2 4.26Å; W488-L490 HydrophobicContact CB-CD2 4.47Å; W488-M496 HydrophobicContact CB-CE 4.31Å; W488-M496 HydrophobicContact CB-SD 4.25Å; W488-M496 VanDerWaalsContact CD1-CE 3.49Å; W488-M496 HydrophobicContact CG-CE 4.25Å; W488-F500 HydrophobicContact CB-CE1 4.41Å; W488-S502 PolarHBondContact NE1-O 2.76Å; W488-S502 VanDerWaalsContact NE1-O 3.15Å; W488-G504 VanDerWaalsContact NE1-CA 3.28Å
489	L	97.4	Very high	95.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	109.9	173.7	-173.5	57.4	0	0	0	109.3	A478 I479 Y480 K497 F500 F549	A478-L489 HydrophobicContact CB-CD1 3.69Å; A478-L489 HydrophobicContact CB-CG 4.22Å; I479-L489 WeakPolarHBondContact O-CA 3.22Å; Y480-L489 HydrophobicContact CD1-CD1 3.87Å; Y480-L489 HydrophobicContact CE1-CD1 3.89Å; Y480-L489 HydrophobicContact CE1-CD2 4.45Å; Y480-L489 HydrophobicContact CG-CD1 4.2Å; L489-K497 HydrophobicContact CB-CB 4.43Å; L489-K497 HydrophobicContact CD2-CD 3.41Å; L489-K497 VanDerWaalsContact CD2-CD 3.41Å; L489-K497 HydrophobicContact CG-CB 4.09Å; L489-K497 HydrophobicContact CG-CD 3.73Å; L489-K497 WeakPolarHBondContact O-CB 3.39Å; L489-K497 PolarHBondContact O-N 2.81Å; L489-F500 HydrophobicContact CB-CD1 4.45Å; L489-F500 HydrophobicContact CB-CD2 3.58Å; L489-F500 HydrophobicContact CB-CE2 3.64Å; L489-F500 HydrophobicContact CB-CG 4Å; L489-F500 HydrophobicContact CB-CZ 4.13Å; L489-F500 HydrophobicContact CD2-CD2 4.34Å; L489-F549 HydrophobicContact CD2-CB 3.9Å
490	L	97	Very high	95.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	152.1	-174.1	-53.3	-179.7	0	0	0	111.3	W458 A460 L461 A478 I479 I481 W488 D492 M496	W458-L490 HydrophobicContact CE3-CD1 3.62Å; W458-L490 HydrophobicContact CZ3-CD1 3.75Å; A460-L490 HydrophobicContact CB-CD1 4.49Å; A460-L490 HydrophobicContact CB-CD2 3.75Å; L461-L490 HydrophobicContact CD2-CD1 4.19Å; L461-L490 HydrophobicContact CD2-CD2 4.19Å; L461-L490 HydrophobicContact CG-CD1 4.27Å; A478-L490 CarbonylContact C-O 3.51Å; A478-L490 WeakPolarHBondContact CA-O 3.21Å; A478-L490 WeakPolarHBondContact CB-O 3.36Å; I479-L490 HydrophobicContact CB-CB 4.31Å; I479-L490 PolarHBondContact N-O 3.19Å; I479-L490 PolarHBondContact O-N 2.73Å; I481-L490 HydrophobicContact CG1-CD1 3.78Å; I481-L490 HydrophobicContact CG1-CG 4.34Å; W488-L490 HydrophobicContact CB-CD2 4.47Å; L490-D492 WeakPolarHBondContact CB-O 3.46Å; L490-M496 HydrophobicContact CD2-CE 3.49Å; L490-M496 VanDerWaalsContact CD2-CE 3.49Å; L490-M496 HydrophobicContact CD2-SD 3.59Å; L490-M496 VanDerWaalsContact CD2-SD 3.59Å
491	L	92.4	Very high	95.4	Very high	70 Å²	70	47.2 Å²	47.2	37%	0.366	26%	0.255	S	S	.	.	S	Bend	trans	-82.2	-37.4	163.3	-70.9	177.7	0	0	0	111.3	R495 K497 P498	L491-R495 PolarHBondContact N-O 2.78Å; L491-K497 HydrophobicContact CD2-CG 4.25Å; L491-P498 HydrophobicContact CD1-CG 4.23Å
492	D	90.9	Very high	95.2	Very high	24 Å²	24	51.6 Å²	51.6	13%	0.128	29%	0.285	C	S	.	.	S	Bend	trans	-159.8	-177.7	179.3	55.9	47.9	0	0	0	108.4	L490 M494 R495	L490-D492 WeakPolarHBondContact CB-O 3.46Å; D492-M494 PolarHBondContact O-N 2.88Å; D492-M494 VanDerWaalsContact O-N 3.13Å; D492-M494 VanDerWaalsContact OD1-CA 3.29Å; D492-M494 WeakPolarHBondContact OD1-CA 3.29Å; D492-M494 VanDerWaalsContact OD1-CB 3.3Å; D492-M494 WeakPolarHBondContact OD1-CB 3.49Å; D492-M494 PolarHBondContact OD1-N 3.11Å; D492-R495 PolarHBondContact N-O 3.17Å; D492-R495 PolarHBondContact O-N 2.67Å; D492-R495 PolarHBondContact OD1-N 3.36Å; D492-R495 IonicContact OD1-NE 3.84Å; D492-R495 IonicContact OD2-CZ 2.68Å; D492-R495 VanDerWaalsContact OD2-CZ 3.25Å; D492-R495 IonicContact OD2-NE 3.8Å; D492-R495 PolarHBondContact OD2-NE 3.12Å; D492-R495 IonicContact OD2-NH2 2.71Å; D492-R495 PolarHBondContact OD2-NH2 2.77Å
493	N	88.6	Confident	95.1	Very high	38 Å²	38	55.3 Å²	55.3	20%	0.203	31%	0.305	C	S	.	.	S	Bend	trans	-64.7	-16.4	180	67.4	-46.6	0	0	0	114.2	Y457 W458 P459 A460	Y457-N493 HydrophobicContact CD1-CB 4.47Å; Y457-N493 HydrophobicContact CE1-CB 4.14Å; Y457-N493 PolarHBondContact O-ND2 2.91Å; W458-N493 CarbonylContact C-O 3.59Å; W458-N493 HydrophobicContact CD2-CB 4Å; W458-N493 HydrophobicContact CE3-CB 3.6Å; W458-N493 HydrophobicContact CH2-CB 4.45Å; W458-N493 HydrophobicContact CZ3-CB 3.85Å; P459-N493 WeakPolarHBondContact CD-O 3.49Å; A460-N493 WeakPolarHBondContact CB-O 3.43Å; A460-N493 PolarHBondContact N-O 2.89Å
494	M	91.8	Very high	95.1	Very high	118 Å²	118	54.1 Å²	54.1	58%	0.581	30%	0.304	S	S	*	.	S	Bend	trans	-99.7	-25	-176.2	-56.9	-62.3	-63.3	0	0	113.4	P459 D492	P459-M494 HydrophobicContact CG-CE 3.72Å; P459-M494 HydrophobicContact CG-SD 3.38Å; P459-M494 WeakPolarHBondContact CG-SD 3.4Å; D492-M494 PolarHBondContact O-N 2.88Å; D492-M494 VanDerWaalsContact O-N 3.13Å; D492-M494 VanDerWaalsContact OD1-CA 3.29Å; D492-M494 WeakPolarHBondContact OD1-CA 3.29Å; D492-M494 VanDerWaalsContact OD1-CB 3.3Å; D492-M494 WeakPolarHBondContact OD1-CB 3.49Å; D492-M494 PolarHBondContact OD1-N 3.11Å
495	R	94.2	Very high	95.2	Very high	150 Å²	150	52.7 Å²	52.7	57%	0.566	30%	0.296	S	S	*	.			trans	-133.7	134	-169.7	-62.5	177.6	-65.5	170.8	2.5	113.2	L491 D492	L491-R495 PolarHBondContact N-O 2.78Å; D492-R495 PolarHBondContact N-O 3.17Å; D492-R495 PolarHBondContact O-N 2.67Å; D492-R495 PolarHBondContact OD1-N 3.36Å; D492-R495 IonicContact OD1-NE 3.84Å; D492-R495 IonicContact OD2-CZ 2.68Å; D492-R495 VanDerWaalsContact OD2-CZ 3.25Å; D492-R495 IonicContact OD2-NE 3.8Å; D492-R495 PolarHBondContact OD2-NE 3.12Å; D492-R495 IonicContact OD2-NH2 2.71Å; D492-R495 PolarHBondContact OD2-NH2 2.77Å
496	M	95.6	Very high	95.2	Very high	34 Å²	34	51.1 Å²	51.1	17%	0.167	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-69.2	149.9	167.7	-163.8	62	58.5	0	0	110.7	A460 W488 L490 F500	A460-M496 WeakPolarHBondContact O-CE 3.32Å; W488-M496 HydrophobicContact CB-CE 4.31Å; W488-M496 HydrophobicContact CB-SD 4.25Å; W488-M496 VanDerWaalsContact CD1-CE 3.49Å; W488-M496 HydrophobicContact CG-CE 4.25Å; L490-M496 HydrophobicContact CD2-CE 3.49Å; L490-M496 VanDerWaalsContact CD2-CE 3.49Å; L490-M496 HydrophobicContact CD2-SD 3.59Å; L490-M496 VanDerWaalsContact CD2-SD 3.59Å; M496-F500 HydrophobicContact CG-CB 3.91Å; M496-F500 HydrophobicContact CG-CD1 4.19Å; M496-F500 HydrophobicContact CG-CG 4.5Å; M496-F500 WeakPolarHBondContact CG-O 3.23Å; M496-F500 HydrophobicContact SD-CB 4.32Å; M496-F500 HydrophobicContact SD-CD1 3.62Å; M496-F500 HydrophobicContact SD-CE1 4.42Å; M496-F500 HydrophobicContact SD-CG 4.29Å
497	K	94.5	Very high	95.1	Very high	46 Å²	46	48.5 Å²	48.5	20%	0.2	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-58.3	135	171.1	-167.7	175.3	-178.7	178.1	0	110	D476 A478 L489 L491 G499 F500	D476-K497 IonicContact OD2-NZ 2.88Å; D476-K497 PolarHBondContact OD2-NZ 3.1Å; A478-K497 HydrophobicContact CB-CD 4.39Å; L489-K497 HydrophobicContact CB-CB 4.43Å; L489-K497 HydrophobicContact CD2-CD 3.41Å; L489-K497 VanDerWaalsContact CD2-CD 3.41Å; L489-K497 HydrophobicContact CG-CB 4.09Å; L489-K497 HydrophobicContact CG-CD 3.73Å; L489-K497 WeakPolarHBondContact O-CB 3.39Å; L489-K497 PolarHBondContact O-N 2.81Å; L491-K497 HydrophobicContact CD2-CG 4.25Å; K497-G499 PolarHBondContact O-N 3.48Å; K497-F500 HydrophobicContact CB-CB 4.21Å; K497-F500 VanDerWaalsContact O-CB 3.27Å; K497-F500 WeakPolarHBondContact O-CB 3.31Å; K497-F500 PolarHBondContact O-N 2.83Å
498	P	93	Very high	95.1	Very high	106 Å²	106	51.5 Å²	51.5	69%	0.688	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	127.9	-179.2	-29.2	35.4	0	0	0	111.7	L491 F500	L491-P498 HydrophobicContact CD1-CG 4.23Å; P498-F500 VanDerWaalsContact C-N 3.29Å; P498-F500 PolarHBondContact O-N 3.47Å
499	G	91.8	Very high	95	Very high	88 Å²	88	54.2 Å²	54.2	91%	0.907	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-5.7	-177.8	0	0	0	0	0	115.5	K497	K497-G499 PolarHBondContact O-N 3.48Å
500	F	95.7	Very high	95	Very high	20 Å²	20	54.2 Å²	54.2	9%	0.088	32%	0.316	C	S	.	.			trans	-82.8	132.7	175.8	-161.5	-79.1	0	0	0	110.6	F487 W488 L489 M496 K497 P498 S502 L505 F549	F487-F500 HydrophobicContact CD2-CE2 4.3Å; F487-F500 AromaticContact CD2-CZ 3.82Å; F487-F500 HydrophobicContact CD2-CZ 3.82Å; F487-F500 AromaticContact CE2-CE2 3.52Å; F487-F500 HydrophobicContact CE2-CE2 3.52Å; F487-F500 AromaticContact CE2-CZ 3.42Å; F487-F500 HydrophobicContact CE2-CZ 3.42Å; F487-F500 VanDerWaalsContact CE2-CZ 3.42Å; F487-F500 AromaticContact CZ-CE2 3.96Å; F487-F500 HydrophobicContact CZ-CE2 3.96Å; F487-F500 AromaticContact CZ-CZ 3.84Å; F487-F500 HydrophobicContact CZ-CZ 3.84Å; W488-F500 HydrophobicContact CB-CE1 4.41Å; L489-F500 HydrophobicContact CB-CD1 4.45Å; L489-F500 HydrophobicContact CB-CD2 3.58Å; L489-F500 HydrophobicContact CB-CE2 3.64Å; L489-F500 HydrophobicContact CB-CG 4Å; L489-F500 HydrophobicContact CB-CZ 4.13Å; L489-F500 HydrophobicContact CD2-CD2 4.34Å; M496-F500 HydrophobicContact CG-CB 3.91Å; M496-F500 HydrophobicContact CG-CD1 4.19Å; M496-F500 HydrophobicContact CG-CG 4.5Å; M496-F500 WeakPolarHBondContact CG-O 3.23Å; M496-F500 HydrophobicContact SD-CB 4.32Å; M496-F500 HydrophobicContact SD-CD1 3.62Å; M496-F500 HydrophobicContact SD-CE1 4.42Å; M496-F500 HydrophobicContact SD-CG 4.29Å; K497-F500 HydrophobicContact CB-CB 4.21Å; K497-F500 VanDerWaalsContact O-CB 3.27Å; K497-F500 WeakPolarHBondContact O-CB 3.31Å; K497-F500 PolarHBondContact O-N 2.83Å; P498-F500 VanDerWaalsContact C-N 3.29Å; P498-F500 PolarHBondContact O-N 3.47Å; F500-S502 PolarHBondContact O-N 2.93Å; F500-L505 HydrophobicContact CD2-CD1 4.44Å; F500-L505 HydrophobicContact CE1-CG 4.24Å; F500-L505 HydrophobicContact CE2-CD1 3.76Å; F500-L505 HydrophobicContact CE2-CG 4.35Å; F500-L505 HydrophobicContact CZ-CB 4.06Å; F500-L505 HydrophobicContact CZ-CD1 3.8Å; F500-L505 HydrophobicContact CZ-CG 3.87Å; F500-F549 HydrophobicContact CD2-CB 4.29Å; F500-F549 HydrophobicContact CD2-CD1 4.22Å; F500-F549 HydrophobicContact CE2-CB 3.95Å; F500-F549 HydrophobicContact CE2-CD1 4.05Å; F500-F549 HydrophobicContact CE2-CG 4.13Å
501	P	96.2	Very high	95	Very high	58 Å²	58	56 Å²	56	38%	0.377	34%	0.335	S	S	.	.			trans	-61.5	135.2	-177.2	-26.7	37.1	0	0	0	113.5	D503 G504 L505	P501-D503 VanDerWaalsContact C-N 3.25Å; P501-D503 PolarHBondContact O-N 2.87Å; P501-G504 PolarHBondContact O-N 3.35Å; P501-G504 VanDerWaalsContact O-N 3.13Å; P501-L505 HydrophobicContact CG-CD2 3.73Å; P501-L505 HydrophobicContact CG-CG 4.1Å
502	S	94.4	Very high	95.2	Very high	91 Å²	91	52.9 Å²	52.9	64%	0.636	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-33.1	179.6	52.6	0	0	0	0	113	P462 W488 F500 G504	P462-S502 WeakPolarHBondContact CD-O 3.1Å; P462-S502 WeakPolarHBondContact CG-O 3.41Å; W488-S502 PolarHBondContact NE1-O 2.76Å; W488-S502 VanDerWaalsContact NE1-O 3.15Å; F500-S502 PolarHBondContact O-N 2.93Å; S502-G504 VanDerWaalsContact C-N 3.28Å; S502-G504 PolarHBondContact O-N 3.29Å
503	D	96.6	Very high	95.4	Very high	79 Å²	79	53.6 Å²	53.6	42%	0.422	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	9.4	179.7	-163.6	44.4	0	0	0	114.2	Y464 K486 P501	Y464-D503 WeakPolarHBondContact CE1-OD1 3.29Å; Y464-D503 VanDerWaalsContact CZ-OD1 3.28Å; Y464-D503 PolarHBondContact OH-O 2.86Å; Y464-D503 PolarHBondContact OH-OD1 2.95Å; K486-D503 WeakPolarHBondContact CD-O 3.48Å; K486-D503 VanDerWaalsContact NZ-CG 3.31Å; K486-D503 PolarHBondContact NZ-O 2.79Å; K486-D503 IonicContact NZ-OD1 3.29Å; K486-D503 IonicContact NZ-OD2 2.82Å; K486-D503 PolarHBondContact NZ-OD2 2.71Å; P501-D503 VanDerWaalsContact C-N 3.25Å; P501-D503 PolarHBondContact O-N 2.87Å
504	G	97.2	Very high	95.8	Very high	10 Å²	10	56.4 Å²	56.4	10%	0.103	35%	0.348	C	S	.	.			trans	79.6	171.1	178.5	0	0	0	0	0	113.4	F487 W488 P501 S502	F487-G504 VanDerWaalsContact O-CA 3.31Å; F487-G504 WeakPolarHBondContact O-CA 3.21Å; W488-G504 VanDerWaalsContact NE1-CA 3.28Å; P501-G504 PolarHBondContact O-N 3.35Å; P501-G504 VanDerWaalsContact O-N 3.13Å; S502-G504 VanDerWaalsContact C-N 3.28Å; S502-G504 PolarHBondContact O-N 3.29Å
505	L	98	Very high	96	Very high	24 Å²	24	57 Å²	57	13%	0.126	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	151.2	175.1	-73.2	-180	0	0	0	110.5	K486 F487 F500 P501 D509 F549	K486-L505 CarbonylContact C-O 3.52Å; K486-L505 WeakPolarHBondContact CA-O 3.35Å; F487-L505 HydrophobicContact CD1-CB 4.07Å; F487-L505 VanDerWaalsContact CD1-O 3.23Å; F487-L505 WeakPolarHBondContact CD1-O 3.47Å; F487-L505 HydrophobicContact CE1-CB 3.42Å; F487-L505 VanDerWaalsContact CE1-CB 3.42Å; F487-L505 HydrophobicContact CE1-CD1 4.47Å; F487-L505 HydrophobicContact CZ-CB 3.78Å; F487-L505 HydrophobicContact CZ-CD1 4.05Å; F487-L505 PolarHBondContact N-O 2.62Å; F487-L505 PolarHBondContact O-N 3.09Å; F500-L505 HydrophobicContact CD2-CD1 4.44Å; F500-L505 HydrophobicContact CE1-CG 4.24Å; F500-L505 HydrophobicContact CE2-CD1 3.76Å; F500-L505 HydrophobicContact CE2-CG 4.35Å; F500-L505 HydrophobicContact CZ-CB 4.06Å; F500-L505 HydrophobicContact CZ-CD1 3.8Å; F500-L505 HydrophobicContact CZ-CG 3.87Å; P501-L505 HydrophobicContact CG-CD2 3.73Å; P501-L505 HydrophobicContact CG-CG 4.1Å; L505-D509 HydrophobicContact CB-CB 4.39Å; L505-D509 WeakPolarHBondContact CD2-OD2 3.4Å; L505-F549 HydrophobicContact CD1-CD1 3.83Å; L505-F549 HydrophobicContact CD1-CE1 3.43Å; L505-F549 VanDerWaalsContact CD1-CE1 3.43Å; L505-F549 HydrophobicContact CD1-CE2 4.34Å; L505-F549 HydrophobicContact CD1-CG 4.43Å; L505-F549 HydrophobicContact CD1-CZ 3.73Å
506	P	98.2	Very high	96.1	Very high	55 Å²	55	50.8 Å²	50.8	36%	0.357	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	150.3	175.8	29.7	-35.7	0	0	0	111.4	K485 F487 T508 D509	K485-P506 CarbonylContact O-C 3.53Å; K485-P506 VanDerWaalsContact O-CA 3.27Å; K485-P506 WeakPolarHBondContact O-CA 3.49Å; F487-P506 WeakPolarHBondContact CE1-O 3.2Å; P506-T508 PolarHBondContact O-N 2.77Å; P506-D509 WeakPolarHBondContact CD-OD2 3.42Å; P506-D509 WeakPolarHBondContact O-CB 3.19Å; P506-D509 PolarHBondContact O-N 3.09Å
507	L	97.9	Very high	96.1	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-55.2	-27.6	177	-63.7	-177.2	0	0	0	113.1	F482 K485 F487 D509 L510 L512 V519	F482-L507 HydrophobicContact CD1-CD2 3.78Å; F482-L507 HydrophobicContact CE1-CD2 4.19Å; K485-L507 PolarHBondContact O-N 2.86Å; F487-L507 HydrophobicContact CB-CD2 4.33Å; L507-D509 PolarHBondContact O-N 2.97Å; L507-L510 WeakPolarHBondContact O-CB 3.45Å; L507-L510 PolarHBondContact O-N 2.84Å; L507-L510 VanDerWaalsContact O-N 3.09Å; L507-L512 HydrophobicContact CB-CB 4.06Å; L507-L512 HydrophobicContact CB-CD1 3.98Å; L507-L512 HydrophobicContact CD1-CD1 4.41Å; L507-L512 HydrophobicContact CD2-CD1 4.22Å; L507-L512 HydrophobicContact CG-CD1 4.41Å; L507-L512 WeakPolarHBondContact O-CB 3.34Å; L507-L512 PolarHBondContact O-N 3.44Å; L507-V519 HydrophobicContact CD1-CG2 4.12Å; L507-V519 HydrophobicContact CD2-CG2 4.07Å
508	T	97.3	Very high	96.3	Very high	64 Å²	64	57.8 Å²	57.8	39%	0.393	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-60	-26.2	176.1	51.5	0	0	0	0	113.6	P506 L510 G511 L512	P506-T508 PolarHBondContact O-N 2.77Å; T508-L510 VanDerWaalsContact C-N 3.3Å; T508-L510 PolarHBondContact O-N 3.37Å; T508-G511 WeakPolarHBondContact O-CA 3.26Å; T508-G511 PolarHBondContact O-N 2.65Å; T508-L512 WeakPolarHBondContact CA-O 3.48Å
509	D	97	Very high	96.5	Very high	57 Å²	57	52.8 Å²	52.8	31%	0.305	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-72.9	-27.8	178.5	-70.8	3	0	0	0	111.5	F487 L505 P506 L507 G511 F549	F487-D509 HydrophobicContact CE1-CB 4.23Å; L505-D509 HydrophobicContact CB-CB 4.39Å; L505-D509 WeakPolarHBondContact CD2-OD2 3.4Å; P506-D509 WeakPolarHBondContact CD-OD2 3.42Å; P506-D509 WeakPolarHBondContact O-CB 3.19Å; P506-D509 PolarHBondContact O-N 3.09Å; L507-D509 PolarHBondContact O-N 2.97Å; D509-G511 PolarHBondContact O-N 3.1Å; D509-F549 HydrophobicContact CB-CE2 3.98Å; D509-F549 HydrophobicContact CB-CZ 4.2Å
510	L	96.7	Very high	96.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-74.8	-2.5	165.8	-71	171.7	0	0	0	112.5	Y480 F482 F487 L507 T508 L542 F549 G550 K551 V552	Y480-L510 HydrophobicContact CE1-CD2 4.19Å; F482-L510 HydrophobicContact CE1-CD1 3.49Å; F482-L510 VanDerWaalsContact CE1-CD1 3.49Å; F482-L510 HydrophobicContact CZ-CD1 3.94Å; F487-L510 HydrophobicContact CB-CD1 4.31Å; F487-L510 HydrophobicContact CD1-CD1 3.7Å; F487-L510 HydrophobicContact CD1-CG 3.91Å; F487-L510 HydrophobicContact CD2-CD1 3.84Å; F487-L510 HydrophobicContact CD2-CD2 4.45Å; F487-L510 HydrophobicContact CD2-CG 4.21Å; F487-L510 HydrophobicContact CE1-CD1 3.91Å; F487-L510 HydrophobicContact CE1-CD2 4.36Å; F487-L510 HydrophobicContact CE1-CG 3.57Å; F487-L510 HydrophobicContact CE2-CD1 4.01Å; F487-L510 HydrophobicContact CE2-CD2 3.86Å; F487-L510 HydrophobicContact CE2-CG 3.87Å; F487-L510 HydrophobicContact CG-CD1 3.67Å; F487-L510 HydrophobicContact CG-CG 4.23Å; F487-L510 HydrophobicContact CZ-CD1 4.07Å; F487-L510 HydrophobicContact CZ-CD2 3.83Å; F487-L510 HydrophobicContact CZ-CG 3.55Å; L507-L510 WeakPolarHBondContact O-CB 3.45Å; L507-L510 PolarHBondContact O-N 2.84Å; L507-L510 VanDerWaalsContact O-N 3.09Å; T508-L510 VanDerWaalsContact C-N 3.3Å; T508-L510 PolarHBondContact O-N 3.37Å; L510-L542 HydrophobicContact CD2-CD1 4.23Å; L510-F549 HydrophobicContact CD2-CD2 4.45Å; L510-F549 WeakPolarHBondContact CD2-O 3.47Å; L510-G550 WeakPolarHBondContact CD2-O 3.32Å; L510-K551 CarbonylContact O-C 3.51Å; L510-K551 WeakPolarHBondContact O-CA 3.13Å; L510-V552 WeakPolarHBondContact O-CG2 3.43Å; L510-V552 PolarHBondContact O-N 2.9Å
511	G	96.1	Very high	96.8	Very high	38 Å²	38	48.4 Å²	48.4	39%	0.392	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	9.5	-176.2	0	0	0	0	0	114.4	T508 D509 V552	T508-G511 WeakPolarHBondContact O-CA 3.26Å; T508-G511 PolarHBondContact O-N 2.65Å; D509-G511 PolarHBondContact O-N 3.1Å; G511-V552 VanDerWaalsContact C-CG2 3.49Å; G511-V552 WeakPolarHBondContact O-CG2 3.04Å
512	L	96.9	Very high	96.9	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.026	26%	0.262	C	S	.	.			trans	-75.1	149.6	174.9	-70.7	166.6	0	0	0	111.1	L507 T508 L516 V519 I533 W540 V552	L507-L512 HydrophobicContact CB-CB 4.06Å; L507-L512 HydrophobicContact CB-CD1 3.98Å; L507-L512 HydrophobicContact CD1-CD1 4.41Å; L507-L512 HydrophobicContact CD2-CD1 4.22Å; L507-L512 HydrophobicContact CG-CD1 4.41Å; L507-L512 WeakPolarHBondContact O-CB 3.34Å; L507-L512 PolarHBondContact O-N 3.44Å; T508-L512 WeakPolarHBondContact CA-O 3.48Å; L512-L516 HydrophobicContact CB-CD1 4.22Å; L512-L516 HydrophobicContact CD2-CD1 4.13Å; L512-V519 HydrophobicContact CD1-CG2 3.89Å; L512-I533 HydrophobicContact CD1-CG2 4.38Å; L512-I533 HydrophobicContact CD2-CG2 4.43Å; L512-W540 HydrophobicContact CD2-CD2 3.68Å; L512-W540 HydrophobicContact CD2-CE3 3.85Å; L512-W540 HydrophobicContact CD2-CG 4.06Å; L512-W540 HydrophobicContact CD2-CZ2 4.41Å; L512-W540 HydrophobicContact CD2-CZ3 4.34Å; L512-V552 HydrophobicContact CD2-CG1 3.95Å; L512-V552 HydrophobicContact CD2-CG2 4.37Å; L512-V552 HydrophobicContact CG-CG1 4.12Å
513	P	95.9	Very high	96.9	Very high	38 Å²	38	41.6 Å²	41.6	25%	0.247	23%	0.232	C	C	.	.			trans	-61.4	142.4	179.2	-22.9	31.9	0	0	0	113.8	H515 L516 W540	P513-H515 WeakPolarHBondContact CB-CE1 3.41Å; P513-H515 WeakPolarHBondContact CB-ND1 3.46Å; P513-H515 PolarHBondContact O-N 3.02Å; P513-L516 HydrophobicContact CB-CG 4.4Å; P513-L516 HydrophobicContact CG-CD1 4.44Å; P513-L516 WeakPolarHBondContact O-CB 3.22Å; P513-L516 PolarHBondContact O-N 2.97Å; P513-L516 VanDerWaalsContact O-N 3.13Å; P513-W540 HydrophobicContact CG-CZ2 3.91Å
514	S	96.1	Very high	96.8	Very high	98 Å²	98	39.3 Å²	39.3	69%	0.685	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-18.5	-178.2	56.1	0	0	0	0	115.2	L516	S514-L516 VanDerWaalsContact C-N 3.32Å
515	H	96.1	Very high	96.5	Very high	130 Å²	130	40.4 Å²	40.4	60%	0.602	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-8.6	177.4	66.7	-95.2	0	0	0	113.4	P513 E517	P513-H515 WeakPolarHBondContact CB-CE1 3.41Å; P513-H515 WeakPolarHBondContact CB-ND1 3.46Å; P513-H515 PolarHBondContact O-N 3.02Å; H515-E517 PolarHBondContact O-N 3.23Å
516	L	96.3	Very high	95.8	Very high	20 Å²	20	39.6 Å²	39.6	11%	0.105	22%	0.219	C	C	.	.			trans	-73.4	127.8	175.9	-68.7	-177.9	0	0	0	110	K485 L512 P513 S514 A535 W540	K485-L516 WeakPolarHBondContact CE-O 3.25Å; L512-L516 HydrophobicContact CB-CD1 4.22Å; L512-L516 HydrophobicContact CD2-CD1 4.13Å; P513-L516 HydrophobicContact CB-CG 4.4Å; P513-L516 HydrophobicContact CG-CD1 4.44Å; P513-L516 WeakPolarHBondContact O-CB 3.22Å; P513-L516 PolarHBondContact O-N 2.97Å; P513-L516 VanDerWaalsContact O-N 3.13Å; S514-L516 VanDerWaalsContact C-N 3.32Å; L516-A535 HydrophobicContact CD1-CB 3.97Å; L516-A535 HydrophobicContact CD2-CB 4.08Å; L516-W540 HydrophobicContact CD1-CH2 3.73Å; L516-W540 HydrophobicContact CD1-CZ2 4.24Å; L516-W540 HydrophobicContact CD1-CZ3 4.18Å; L516-W540 HydrophobicContact CD2-CH2 4.46Å
517	E	96.7	Very high	95.1	Very high	116 Å²	116	41.8 Å²	41.8	54%	0.542	22%	0.224	S	C	.	.			trans	-83	-27.8	177.8	-64.2	-60.7	136.5	0	0	112.6	D484 K485 H515	D484-E517 CarbonylContact C-O 3.59Å; D484-E517 VanDerWaalsContact CA-O 3.32Å; D484-E517 WeakPolarHBondContact CA-O 3.46Å; K485-E517 WeakPolarHBondContact CE-OE1 3.49Å; K485-E517 WeakPolarHBondContact CE-OE2 3.33Å; K485-E517 WeakPolarHBondContact CG-O 3.18Å; K485-E517 PolarHBondContact N-O 2.88Å; K485-E517 IonicContact NZ-OE1 3.63Å; K485-E517 PolarHBondContact NZ-OE1 2.87Å; K485-E517 IonicContact NZ-OE2 2.71Å; K485-E517 PolarHBondContact NZ-OE2 2.9Å; K485-E517 VanDerWaalsContact NZ-OE2 3.08Å; H515-E517 PolarHBondContact O-N 3.23Å
518	R	97.4	Very high	94.7	Very high	111 Å²	111	44.7 Å²	44.7	42%	0.419	24%	0.24	S	C	.	.			trans	-163	166.9	177.8	66.1	-179.2	-174.2	-87.8	-12.6	111.7	D484 D520	D484-R518 WeakPolarHBondContact O-CA 3.31Å; R518-D520 IonicContact CZ-OD1 3.25Å; R518-D520 VanDerWaalsContact CZ-OD1 3.24Å; R518-D520 IonicContact NE-OD1 2.94Å; R518-D520 PolarHBondContact NE-OD1 2.88Å; R518-D520 IonicContact NH2-OD1 2.7Å; R518-D520 PolarHBondContact NH2-OD1 2.79Å
519	V	98	Very high	94.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.24	C	C	.	.			trans	-88.9	132.8	160.2	170.9	0	0	0	0	108	N469 A470 F482 L507 L512 V522 I533	N469-V519 VanDerWaalsContact CB-O 3.24Å; N469-V519 WeakPolarHBondContact CB-O 3.31Å; A470-V519 HydrophobicContact CB-CG1 3.95Å; F482-V519 HydrophobicContact CB-CB 4.26Å; F482-V519 HydrophobicContact CD1-CB 4.11Å; F482-V519 HydrophobicContact CD1-CG2 3.72Å; F482-V519 HydrophobicContact CE1-CG2 4.07Å; F482-V519 HydrophobicContact CG-CB 4.22Å; F482-V519 HydrophobicContact CG-CG1 4.47Å; F482-V519 HydrophobicContact CG-CG2 4.33Å; L507-V519 HydrophobicContact CD1-CG2 4.12Å; L507-V519 HydrophobicContact CD2-CG2 4.07Å; L512-V519 HydrophobicContact CD1-CG2 3.89Å; V519-V522 HydrophobicContact CG1-CG2 3.46Å; V519-V522 VanDerWaalsContact CG1-CG2 3.46Å; V519-I533 HydrophobicContact CB-CG2 4.33Å; V519-I533 HydrophobicContact CG1-CG2 3.62Å; V519-I533 HydrophobicContact CG2-CG2 3.75Å
520	D	97.4	Very high	94.2	Very high	15 Å²	15	43.4 Å²	43.4	8%	0.08	23%	0.229	C	C	.	.			trans	-88.6	-41	-179.7	-64.4	-54.7	0	0	0	112	R518 F534 A535 G536 T573	R518-D520 IonicContact CZ-OD1 3.25Å; R518-D520 VanDerWaalsContact CZ-OD1 3.24Å; R518-D520 IonicContact NE-OD1 2.94Å; R518-D520 PolarHBondContact NE-OD1 2.88Å; R518-D520 IonicContact NH2-OD1 2.7Å; R518-D520 PolarHBondContact NH2-OD1 2.79Å; D520-F534 PolarHBondContact N-O 3.31Å; D520-A535 WeakPolarHBondContact OD2-CA 3.03Å; D520-G536 PolarHBondContact OD2-N 2.74Å; D520-T573 VanDerWaalsContact CB-O 3.23Å; D520-T573 WeakPolarHBondContact CB-O 3.38Å
521	S	97.1	Very high	94.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.007	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	153.9	174.4	72.9	0	0	0	0	112.1	F534	S521-F534 PolarHBondContact N-O 3Å; S521-F534 PolarHBondContact O-N 3.06Å; S521-F534 WeakPolarHBondContact OG-CB 3.48Å
522	V	97.6	Very high	94.2	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.024	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	134.8	176.3	-175.2	0	0	0	0	109.1	A470 I472 F482 V519 I531 Y532 I533	A470-V522 HydrophobicContact CB-CB 4.33Å; A470-V522 HydrophobicContact CB-CG2 3.82Å; I472-V522 HydrophobicContact CB-CG1 3.93Å; I472-V522 HydrophobicContact CD1-CG1 4.17Å; I472-V522 HydrophobicContact CG2-CB 4.48Å; I472-V522 HydrophobicContact CG2-CG1 3.54Å; F482-V522 HydrophobicContact CD2-CG2 4.01Å; F482-V522 HydrophobicContact CE2-CG2 3.75Å; F482-V522 HydrophobicContact CZ-CG2 4.32Å; V519-V522 HydrophobicContact CG1-CG2 3.46Å; V519-V522 VanDerWaalsContact CG1-CG2 3.46Å; V522-I531 HydrophobicContact CG1-CG2 3.64Å; V522-Y532 VanDerWaalsContact CA-O 3.31Å; V522-Y532 WeakPolarHBondContact CA-O 3.15Å; V522-Y532 WeakPolarHBondContact CG1-O 3.09Å; V522-I533 HydrophobicContact CG1-CG1 4.17Å; V522-I533 HydrophobicContact CG2-CB 4.45Å; V522-I533 HydrophobicContact CG2-CG1 4.05Å; V522-I533 HydrophobicContact CG2-CG2 4.31Å
523	F	95.3	Very high	94.3	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.009	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	156.4	178.2	64.3	-81.1	0	0	0	111.4	W525 I531 Y532 F534 W566 A576 T584 F586	F523-W525 HydrophobicContact CD2-CB 4.45Å; F523-W525 HydrophobicContact CE2-CB 4.09Å; F523-W525 HydrophobicContact CE2-CG 4.47Å; F523-I531 WeakPolarHBondContact O-CA 3.42Å; F523-Y532 PolarHBondContact N-O 3.08Å; F523-Y532 VanDerWaalsContact N-O 3.14Å; F523-Y532 PolarHBondContact O-N 3.29Å; F523-F534 AromaticContact CE1-CD1 3.84Å; F523-F534 HydrophobicContact CE1-CD1 3.84Å; F523-F534 HydrophobicContact CE1-CD2 4.47Å; F523-F534 AromaticContact CE1-CE1 3.4Å; F523-F534 HydrophobicContact CE1-CE1 3.4Å; F523-F534 VanDerWaalsContact CE1-CE1 3.4Å; F523-F534 HydrophobicContact CE1-CE2 4.08Å; F523-F534 HydrophobicContact CE1-CG 4.39Å; F523-F534 AromaticContact CE1-CZ 3.53Å; F523-F534 HydrophobicContact CE1-CZ 3.53Å; F523-F534 AromaticContact CZ-CE1 3.7Å; F523-F534 HydrophobicContact CZ-CE1 3.7Å; F523-F534 AromaticContact CZ-CZ 3.66Å; F523-F534 HydrophobicContact CZ-CZ 3.66Å; F523-W566 AromaticContact CE2-CH2 3.75Å; F523-W566 HydrophobicContact CE2-CH2 3.75Å; F523-W566 HydrophobicContact CE2-CZ2 4.4Å; F523-W566 AromaticContact CE2-CZ3 3.96Å; F523-W566 HydrophobicContact CE2-CZ3 3.96Å; F523-W566 HydrophobicContact CZ-CE3 4.35Å; F523-W566 AromaticContact CZ-CH2 3.7Å; F523-W566 HydrophobicContact CZ-CH2 3.7Å; F523-W566 AromaticContact CZ-CZ2 3.96Å; F523-W566 HydrophobicContact CZ-CZ2 3.96Å; F523-W566 AromaticContact CZ-CZ3 3.91Å; F523-W566 HydrophobicContact CZ-CZ3 3.91Å; F523-A576 HydrophobicContact CB-CB 4.04Å; F523-A576 HydrophobicContact CD1-CB 3.6Å; F523-A576 HydrophobicContact CE1-CB 4.33Å; F523-A576 HydrophobicContact CG-CB 4Å; F523-T584 HydrophobicContact CD2-CG2 3.6Å; F523-T584 HydrophobicContact CE2-CG2 3.72Å; F523-T584 HydrophobicContact CG-CG2 4.24Å; F523-T584 HydrophobicContact CZ-CG2 4.44Å; F523-F586 HydrophobicContact CD1-CE1 4.2Å; F523-F586 AromaticContact CE1-CE1 3.59Å; F523-F586 HydrophobicContact CE1-CE1 3.59Å; F523-F586 AromaticContact CE1-CZ 3.97Å; F523-F586 HydrophobicContact CE1-CZ 3.97Å; F523-F586 HydrophobicContact CE2-CZ 4.13Å; F523-F586 AromaticContact CZ-CE1 3.8Å; F523-F586 HydrophobicContact CZ-CE1 3.8Å; F523-F586 AromaticContact CZ-CZ 3.66Å; F523-F586 HydrophobicContact CZ-CZ 3.66Å
524	L	92.5	Very high	94.4	Very high	31 Å²	31	40.4 Å²	40.4	16%	0.162	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	123.4	171.1	177.6	150.9	0	0	0	107.2	I472 A530 T578	I472-L524 HydrophobicContact CD1-CB 3.85Å; L524-A530 WeakPolarHBondContact CA-O 3.21Å; L524-T578 WeakPolarHBondContact O-CB 3.48Å; L524-T578 PolarHBondContact O-OG1 2.72Å
525	W	91.9	Very high	94.4	Very high	33 Å²	33	35.8 Å²	35.8	13%	0.125	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	127.4	-179	-172.6	44	0	0	0	111.1	F523 E527 N528 Q529 A530 Y532 W566 N597 M600	F523-W525 HydrophobicContact CD2-CB 4.45Å; F523-W525 HydrophobicContact CE2-CB 4.09Å; F523-W525 HydrophobicContact CE2-CG 4.47Å; W525-E527 VanDerWaalsContact C-N 3.32Å; W525-E527 HydrophobicContact CD2-CB 4.05Å; W525-E527 HydrophobicContact CD2-CG 4.31Å; W525-E527 HydrophobicContact CE3-CB 4.06Å; W525-E527 HydrophobicContact CH2-CB 3.63Å; W525-E527 HydrophobicContact CH2-CG 3.81Å; W525-E527 HydrophobicContact CZ2-CB 3.63Å; W525-E527 HydrophobicContact CZ2-CG 3.33Å; W525-E527 HydrophobicContact CZ3-CB 3.86Å; W525-E527 HydrophobicContact CZ3-CG 4.48Å; W525-E527 PolarHBondContact O-N 2.88Å; W525-N528 HydrophobicContact CE3-CB 4.28Å; W525-N528 VanDerWaalsContact CE3-CG 3.45Å; W525-N528 HydrophobicContact CZ3-CB 4.34Å; W525-Q529 WeakPolarHBondContact O-CA 3.49Å; W525-Q529 PolarHBondContact O-N 2.8Å; W525-A530 PolarHBondContact N-O 2.9Å; W525-Y532 HydrophobicContact CB-CD2 3.75Å; W525-Y532 HydrophobicContact CB-CE2 3.67Å; W525-Y532 HydrophobicContact CD2-CE2 4.46Å; W525-Y532 HydrophobicContact CE3-CE2 4.02Å; W525-Y532 HydrophobicContact CG-CE2 4.38Å; W525-W566 HydrophobicContact CB-CH2 4.25Å; W525-W566 AromaticContact CD1-CH2 3.78Å; W525-W566 AromaticContact CD1-CZ3 3.79Å; W525-W566 AromaticContact CD2-CH2 3.82Å; W525-W566 HydrophobicContact CD2-CH2 3.82Å; W525-W566 HydrophobicContact CD2-CZ3 4.36Å; W525-W566 HydrophobicContact CE3-CH2 4.43Å; W525-W566 AromaticContact CG-CH2 3.7Å; W525-W566 HydrophobicContact CG-CH2 3.7Å; W525-W566 HydrophobicContact CG-CZ3 4.19Å; W525-W566 AromaticContact NE1-CH2 3.97Å; W525-W566 AromaticContact NE1-CZ3 3.76Å; W525-N597 HydrophobicContact CZ2-CB 4.42Å; W525-N597 PolarHBondContact NE1-OD1 3.19Å; W525-M600 HydrophobicContact CH2-CE 4.44Å; W525-M600 HydrophobicContact CH2-SD 3.92Å; W525-M600 HydrophobicContact CZ2-CE 4.18Å; W525-M600 HydrophobicContact CZ2-SD 3.41Å; W525-M600 WeakPolarHBondContact CZ2-SD 3.41Å
526	G	82.8	Confident	94.4	Very high	8 Å²	8	31.3 Å²	31.3	8%	0.082	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-33.1	-171.2	0	0	0	0	0	114.8	Q529	G526-Q529 PolarHBondContact O-NE2 3.24Å
527	E	84.5	Confident	94.4	Very high	101 Å²	101	35.9 Å²	35.9	47%	0.472	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-39.4	-173.8	-62	-60.1	134.9	0	0	114	W525 N597	W525-E527 VanDerWaalsContact C-N 3.32Å; W525-E527 HydrophobicContact CD2-CB 4.05Å; W525-E527 HydrophobicContact CD2-CG 4.31Å; W525-E527 HydrophobicContact CE3-CB 4.06Å; W525-E527 HydrophobicContact CH2-CB 3.63Å; W525-E527 HydrophobicContact CH2-CG 3.81Å; W525-E527 HydrophobicContact CZ2-CB 3.63Å; W525-E527 HydrophobicContact CZ2-CG 3.33Å; W525-E527 HydrophobicContact CZ3-CB 3.86Å; W525-E527 HydrophobicContact CZ3-CG 4.48Å; W525-E527 PolarHBondContact O-N 2.88Å; E527-N597 HydrophobicContact CG-CB 3.52Å; E527-N597 WeakPolarHBondContact OE1-CB 3.04Å; E527-N597 PolarHBondContact OE1-ND2 2.85Å
528	N	89.6	Confident	94.5	Very high	66 Å²	66	34 Å²	34	35%	0.353	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	4.7	-177.1	72.8	1.6	0	0	0	113.7	W525 A530 Y532	W525-N528 HydrophobicContact CE3-CB 4.28Å; W525-N528 VanDerWaalsContact CE3-CG 3.45Å; W525-N528 HydrophobicContact CZ3-CB 4.34Å; N528-A530 PolarHBondContact O-N 2.79Å; N528-A530 WeakPolarHBondContact OD1-CB 3.24Å; N528-A530 PolarHBondContact OD1-N 2.83Å; N528-Y532 PolarHBondContact ND2-OH 2.89Å
529	Q	88.8	Confident	94.5	Very high	88 Å²	88	28.9 Å²	28.9	41%	0.411	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	24.3	-178.8	-57.7	-69.2	-55.9	0	0	113.3	H475 W525 G526	H475-Q529 PolarHBondContact CE1-O 3.06Å; H475-Q529 PolarHBondContact NE2-O 2.88Å; W525-Q529 WeakPolarHBondContact O-CA 3.49Å; W525-Q529 PolarHBondContact O-N 2.8Å; G526-Q529 PolarHBondContact O-NE2 3.24Å
530	A	93.8	Very high	94.5	Very high	7 Å²	7	29.3 Å²	29.3	6%	0.058	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	149.1	179.3	0	0	0	0	0	111.8	L524 W525 N528 Y532 R541	L524-A530 WeakPolarHBondContact CA-O 3.21Å; W525-A530 PolarHBondContact N-O 2.9Å; N528-A530 PolarHBondContact O-N 2.79Å; N528-A530 WeakPolarHBondContact OD1-CB 3.24Å; N528-A530 PolarHBondContact OD1-N 2.83Å; A530-Y532 HydrophobicContact CB-CE2 3.91Å; A530-Y532 WeakPolarHBondContact O-CD2 3.43Å; A530-R541 HydrophobicContact CB-CG 4.22Å
531	I	96.8	Very high	94.5	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130.9	176.6	-60	176	0	0	0	109.7	I472 R474 V522 F523 L542	I472-I531 HydrophobicContact CD1-CD1 4.38Å; I472-I531 HydrophobicContact CD1-CG1 4.08Å; I472-I531 HydrophobicContact CD1-CG2 4.04Å; I472-I531 HydrophobicContact CG2-CD1 4.4Å; I472-I531 HydrophobicContact CG2-CG2 4.23Å; R474-I531 HydrophobicContact CG-CD1 4.31Å; V522-I531 HydrophobicContact CG1-CG2 3.64Å; F523-I531 WeakPolarHBondContact O-CA 3.42Å; I531-L542 HydrophobicContact CB-CB 4.09Å; I531-L542 HydrophobicContact CB-CD2 4.26Å; I531-L542 HydrophobicContact CD1-CD2 4.37Å; I531-L542 HydrophobicContact CG2-CB 4.05Å; I531-L542 HydrophobicContact CG2-CD2 3.86Å; I531-L542 PolarHBondContact O-N 3.41Å
532	Y	97.4	Very high	94.5	Very high	15 Å²	15	33.6 Å²	33.6	6%	0.059	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	137	176.5	-69.5	-88.7	0	0	0	111.2	V522 F523 W525 N528 A530 Y539 W540 R541 W566	V522-Y532 VanDerWaalsContact CA-O 3.31Å; V522-Y532 WeakPolarHBondContact CA-O 3.15Å; V522-Y532 WeakPolarHBondContact CG1-O 3.09Å; F523-Y532 PolarHBondContact N-O 3.08Å; F523-Y532 VanDerWaalsContact N-O 3.14Å; F523-Y532 PolarHBondContact O-N 3.29Å; W525-Y532 HydrophobicContact CB-CD2 3.75Å; W525-Y532 HydrophobicContact CB-CE2 3.67Å; W525-Y532 HydrophobicContact CD2-CE2 4.46Å; W525-Y532 HydrophobicContact CE3-CE2 4.02Å; W525-Y532 HydrophobicContact CG-CE2 4.38Å; N528-Y532 PolarHBondContact ND2-OH 2.89Å; A530-Y532 HydrophobicContact CB-CE2 3.91Å; A530-Y532 WeakPolarHBondContact O-CD2 3.43Å; Y532-Y539 AromaticContact CD1-CD2 3.8Å; Y532-Y539 HydrophobicContact CD1-CD2 3.8Å; Y532-Y539 AromaticContact CD1-CE2 3.94Å; Y532-Y539 HydrophobicContact CD1-CE2 3.94Å; Y532-Y539 HydrophobicContact CE1-CD2 4.32Å; Y532-Y539 AromaticContact CE1-CE2 3.99Å; Y532-Y539 HydrophobicContact CE1-CE2 3.99Å; Y532-W540 CarbonylContact C-O 3.5Å; Y532-W540 VanDerWaalsContact CA-O 3.31Å; Y532-W540 WeakPolarHBondContact CA-O 3.42Å; Y532-R541 HydrophobicContact CD1-CB 4.09Å; Y532-R541 HydrophobicContact CE1-CB 3.83Å; Y532-R541 HydrophobicContact CE1-CG 4.25Å; Y532-W566 HydrophobicContact CD1-CZ2 4.15Å; Y532-W566 HydrophobicContact CD2-CH2 4.44Å; Y532-W566 HydrophobicContact CD2-CZ2 4.28Å; Y532-W566 HydrophobicContact CE1-CZ2 4.28Å; Y532-W566 HydrophobicContact CE2-CZ2 4.44Å; Y532-W566 HydrophobicContact CG-CZ2 4.12Å
533	I	98.1	Very high	94.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.8	179	-61.2	-176.9	0	0	0	108.2	F482 L512 V519 V522 Y539 W540 L542 V552	F482-I533 HydrophobicContact CZ-CD1 4.23Å; L512-I533 HydrophobicContact CD1-CG2 4.38Å; L512-I533 HydrophobicContact CD2-CG2 4.43Å; V519-I533 HydrophobicContact CB-CG2 4.33Å; V519-I533 HydrophobicContact CG1-CG2 3.62Å; V519-I533 HydrophobicContact CG2-CG2 3.75Å; V522-I533 HydrophobicContact CG1-CG1 4.17Å; V522-I533 HydrophobicContact CG2-CB 4.45Å; V522-I533 HydrophobicContact CG2-CG1 4.05Å; V522-I533 HydrophobicContact CG2-CG2 4.31Å; I533-Y539 CarbonylContact O-C 3.49Å; I533-Y539 WeakPolarHBondContact O-CA 3.49Å; I533-Y539 WeakPolarHBondContact O-CB 3.27Å; I533-W540 PolarHBondContact N-O 2.86Å; I533-W540 PolarHBondContact O-N 2.86Å; I533-L542 HydrophobicContact CD1-CB 4.33Å; I533-L542 HydrophobicContact CD1-CD1 4.2Å; I533-L542 HydrophobicContact CD1-CD2 4.47Å; I533-V552 HydrophobicContact CD1-CG1 3.98Å
534	F	97.9	Very high	94.4	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.5	178.3	-75.4	27.5	0	0	0	109.3	D520 S521 F523 Y539 I562 W566 V569 F586	D520-F534 PolarHBondContact N-O 3.31Å; S521-F534 PolarHBondContact N-O 3Å; S521-F534 PolarHBondContact O-N 3.06Å; S521-F534 WeakPolarHBondContact OG-CB 3.48Å; F523-F534 AromaticContact CE1-CD1 3.84Å; F523-F534 HydrophobicContact CE1-CD1 3.84Å; F523-F534 HydrophobicContact CE1-CD2 4.47Å; F523-F534 AromaticContact CE1-CE1 3.4Å; F523-F534 HydrophobicContact CE1-CE1 3.4Å; F523-F534 VanDerWaalsContact CE1-CE1 3.4Å; F523-F534 HydrophobicContact CE1-CE2 4.08Å; F523-F534 HydrophobicContact CE1-CG 4.39Å; F523-F534 AromaticContact CE1-CZ 3.53Å; F523-F534 HydrophobicContact CE1-CZ 3.53Å; F523-F534 AromaticContact CZ-CE1 3.7Å; F523-F534 HydrophobicContact CZ-CE1 3.7Å; F523-F534 AromaticContact CZ-CZ 3.66Å; F523-F534 HydrophobicContact CZ-CZ 3.66Å; F534-Y539 HydrophobicContact CD1-CG 4.26Å; F534-Y539 VanDerWaalsContact CE1-CB 3.47Å; F534-Y539 HydrophobicContact CE1-CD2 4.15Å; F534-Y539 AromaticContact CE1-CG 3.91Å; F534-Y539 HydrophobicContact CE1-CG 3.91Å; F534-I562 HydrophobicContact CB-CD1 4.17Å; F534-I562 HydrophobicContact CD2-CD1 3.52Å; F534-I562 HydrophobicContact CD2-CG1 3.92Å; F534-I562 HydrophobicContact CD2-CG2 4.29Å; F534-I562 HydrophobicContact CE2-CD1 4.08Å; F534-I562 HydrophobicContact CE2-CG1 4.03Å; F534-I562 HydrophobicContact CE2-CG2 3.78Å; F534-I562 HydrophobicContact CG-CD1 3.96Å; F534-I562 HydrophobicContact CG-CG1 4.33Å; F534-I562 HydrophobicContact CZ-CG2 4.47Å; F534-W566 HydrophobicContact CE1-CZ2 4.43Å; F534-W566 AromaticContact CE1-NE1 3.78Å; F534-W566 HydrophobicContact CE2-CG 4.28Å; F534-W566 HydrophobicContact CZ-CB 4.48Å; F534-W566 AromaticContact CZ-CD1 3.5Å; F534-W566 VanDerWaalsContact CZ-CD1 3.5Å; F534-W566 AromaticContact CZ-CD2 3.77Å; F534-W566 HydrophobicContact CZ-CD2 3.77Å; F534-W566 AromaticContact CZ-CE2 3.64Å; F534-W566 AromaticContact CZ-CG 3.69Å; F534-W566 HydrophobicContact CZ-CG 3.69Å; F534-W566 HydrophobicContact CZ-CZ2 4.33Å; F534-W566 AromaticContact CZ-NE1 3.45Å; F534-V569 HydrophobicContact CE2-CG1 4.29Å; F534-F586 AromaticContact CE2-CE1 3.84Å; F534-F586 HydrophobicContact CE2-CE1 3.84Å; F534-F586 HydrophobicContact CZ-CE1 4.2Å
535	A	97.3	Very high	94.4	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.008	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	122.9	172.8	0	0	0	0	0	110.8	L516 D520 K537 Y538 W540	L516-A535 HydrophobicContact CD1-CB 3.97Å; L516-A535 HydrophobicContact CD2-CB 4.08Å; D520-A535 WeakPolarHBondContact OD2-CA 3.03Å; A535-K537 PolarHBondContact O-N 3.06Å; A535-Y538 PolarHBondContact N-O 3.06Å; A535-Y538 PolarHBondContact O-N 3.25Å; A535-Y538 VanDerWaalsContact O-N 3.08Å; A535-Y538 VanDerWaalsContact O-O 3.08Å; A535-W540 HydrophobicContact CB-CH2 4.48Å; A535-W540 HydrophobicContact CB-CZ3 3.87Å
536	G	95.5	Very high	94.5	Very high	35 Å²	35	43.7 Å²	43.7	36%	0.361	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	-121.8	-172.2	0	0	0	0	0	111.2	D520	D520-G536 PolarHBondContact OD2-N 2.74Å
537	K	96.6	Very high	94.8	Very high	116 Å²	116	45.9 Å²	45.9	50%	0.504	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	1.8	178.4	66.7	-175.2	-177.2	-177	0	114.1	A535 L561 I562 V571	A535-K537 PolarHBondContact O-N 3.06Å; K537-L561 HydrophobicContact CB-CD2 4.36Å; K537-L561 HydrophobicContact CD-CD2 4.04Å; K537-L561 HydrophobicContact CG-CD2 3.95Å; K537-L561 WeakPolarHBondContact O-CA 3.36Å; K537-I562 PolarHBondContact O-N 3.46Å; K537-V571 HydrophobicContact CB-CG1 3.99Å
538	Y	97.4	Very high	95	Very high	78 Å²	78	45.8 Å²	45.8	31%	0.306	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	154.6	-171.6	-63	-69.1	0	0	0	111.6	A535 W540 P559 R560 L561	A535-Y538 PolarHBondContact N-O 3.06Å; A535-Y538 PolarHBondContact O-N 3.25Å; A535-Y538 VanDerWaalsContact O-N 3.08Å; A535-Y538 VanDerWaalsContact O-O 3.08Å; Y538-W540 HydrophobicContact CG-CH2 4.47Å; Y538-P559 HydrophobicContact CD1-CB 3.94Å; Y538-P559 HydrophobicContact CD1-CG 4.32Å; Y538-P559 HydrophobicContact CG-CB 4.08Å; Y538-R560 CarbonylContact C-O 3.57Å; Y538-R560 WeakPolarHBondContact CA-O 3.18Å; Y538-L561 HydrophobicContact CD1-CD2 3.85Å; Y538-L561 HydrophobicContact CD1-CG 4.38Å; Y538-L561 HydrophobicContact CE1-CD2 3.49Å; Y538-L561 VanDerWaalsContact CE1-CD2 3.49Å; Y538-L561 HydrophobicContact CE1-CG 4.11Å
539	Y	97.7	Very high	95.1	Very high	3 Å²	3	44.4 Å²	44.4	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	159.4	169.4	75.7	-82.7	0	0	0	112	Y532 I533 F534 Y558 R560 I562 T565 W566	Y532-Y539 AromaticContact CD1-CD2 3.8Å; Y532-Y539 HydrophobicContact CD1-CD2 3.8Å; Y532-Y539 AromaticContact CD1-CE2 3.94Å; Y532-Y539 HydrophobicContact CD1-CE2 3.94Å; Y532-Y539 HydrophobicContact CE1-CD2 4.32Å; Y532-Y539 AromaticContact CE1-CE2 3.99Å; Y532-Y539 HydrophobicContact CE1-CE2 3.99Å; I533-Y539 CarbonylContact O-C 3.49Å; I533-Y539 WeakPolarHBondContact O-CA 3.49Å; I533-Y539 WeakPolarHBondContact O-CB 3.27Å; F534-Y539 HydrophobicContact CD1-CG 4.26Å; F534-Y539 VanDerWaalsContact CE1-CB 3.47Å; F534-Y539 HydrophobicContact CE1-CD2 4.15Å; F534-Y539 AromaticContact CE1-CG 3.91Å; F534-Y539 HydrophobicContact CE1-CG 3.91Å; Y539-Y558 AromaticContact CD2-CE1 3.96Å; Y539-Y558 HydrophobicContact CD2-CE1 3.96Å; Y539-Y558 AromaticContact CE2-CE1 3.66Å; Y539-Y558 HydrophobicContact CE2-CE1 3.66Å; Y539-Y558 WeakPolarHBondContact O-CD1 3.45Å; Y539-R560 HydrophobicContact CD1-CB 3.91Å; Y539-R560 VanDerWaalsContact CD1-O 3.25Å; Y539-R560 WeakPolarHBondContact CD1-O 3.29Å; Y539-R560 HydrophobicContact CE1-CB 3.28Å; Y539-R560 HydrophobicContact CE1-CG 4.46Å; Y539-R560 HydrophobicContact CE2-CB 4.33Å; Y539-R560 PolarHBondContact N-O 3.13Å; Y539-R560 PolarHBondContact O-N 2.8Å; Y539-R560 VanDerWaalsContact O-N 3.09Å; Y539-R560 WeakPolarHBondContact OH-CD 3.5Å; Y539-R560 PolarHBondContact OH-NE 3.37Å; Y539-R560 VanDerWaalsContact OH-NE 3.16Å; Y539-R560 PolarHBondContact OH-NH1 3.17Å; Y539-I562 HydrophobicContact CD1-CG1 3.98Å; Y539-I562 HydrophobicContact CG-CG1 4.46Å; Y539-T565 WeakPolarHBondContact OH-CB 3.3Å; Y539-T565 WeakPolarHBondContact OH-CG2 3.3Å; Y539-T565 PolarHBondContact OH-OG1 3.2Å; Y539-T565 VanDerWaalsContact OH-OG1 3.08Å; Y539-W566 AromaticContact CD1-CD1 3.85Å; Y539-W566 AromaticContact CD1-NE1 3.76Å; Y539-W566 AromaticContact CD2-NE1 3.64Å; Y539-W566 AromaticContact CE1-CD1 3.69Å; Y539-W566 AromaticContact CE1-NE1 3.57Å; Y539-W566 AromaticContact CE2-NE1 3.43Å; Y539-W566 AromaticContact CG-NE1 3.79Å; Y539-W566 AromaticContact CZ-CD1 3.99Å; Y539-W566 AromaticContact CZ-NE1 3.42Å
540	W	98.2	Very high	95.5	Very high	8 Å²	8	40.2 Å²	40.2	3%	0.03	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	152.1	177.3	-64.4	-101.3	0	0	0	110.1	L512 P513 L516 Y532 I533 A535 Y538 V552 Y558 P559	L512-W540 HydrophobicContact CD2-CD2 3.68Å; L512-W540 HydrophobicContact CD2-CE3 3.85Å; L512-W540 HydrophobicContact CD2-CG 4.06Å; L512-W540 HydrophobicContact CD2-CZ2 4.41Å; L512-W540 HydrophobicContact CD2-CZ3 4.34Å; P513-W540 HydrophobicContact CG-CZ2 3.91Å; L516-W540 HydrophobicContact CD1-CH2 3.73Å; L516-W540 HydrophobicContact CD1-CZ2 4.24Å; L516-W540 HydrophobicContact CD1-CZ3 4.18Å; L516-W540 HydrophobicContact CD2-CH2 4.46Å; Y532-W540 CarbonylContact C-O 3.5Å; Y532-W540 VanDerWaalsContact CA-O 3.31Å; Y532-W540 WeakPolarHBondContact CA-O 3.42Å; I533-W540 PolarHBondContact N-O 2.86Å; I533-W540 PolarHBondContact O-N 2.86Å; A535-W540 HydrophobicContact CB-CH2 4.48Å; A535-W540 HydrophobicContact CB-CZ3 3.87Å; Y538-W540 HydrophobicContact CG-CH2 4.47Å; W540-V552 HydrophobicContact CB-CB 3.89Å; W540-V552 HydrophobicContact CB-CG1 3.88Å; W540-V552 HydrophobicContact CG-CB 4.17Å; W540-V552 HydrophobicContact CG-CG1 4.31Å; W540-V552 HydrophobicContact CG-CG2 4.3Å; W540-Y558 VanDerWaalsContact CA-CD1 3.49Å; W540-Y558 HydrophobicContact CB-CD1 4.47Å; W540-P559 HydrophobicContact CD2-CB 4.33Å; W540-P559 HydrophobicContact CH2-CB 4.26Å; W540-P559 HydrophobicContact CZ2-CB 3.58Å; W540-P559 HydrophobicContact CZ2-CG 4.11Å
541	R	97.7	Very high	95.6	Very high	99 Å²	99	45 Å²	45	37%	0.374	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.9	162.5	178.3	175.5	174.7	-146.5	3.4	109.2	A530 Y532 V552 I553 Y558	A530-R541 HydrophobicContact CB-CG 4.22Å; Y532-R541 HydrophobicContact CD1-CB 4.09Å; Y532-R541 HydrophobicContact CE1-CB 3.83Å; Y532-R541 HydrophobicContact CE1-CG 4.25Å; R541-V552 WeakPolarHBondContact O-CA 3.36Å; R541-I553 HydrophobicContact CB-CD1 4.18Å; R541-I553 HydrophobicContact CG-CD1 3.96Å; R541-I553 PolarHBondContact O-N 2.7Å; R541-Y558 HydrophobicContact CB-CE1 4.09Å; R541-Y558 HydrophobicContact CB-CE2 3.66Å; R541-Y558 VanDerWaalsContact CB-OH 3.26Å; R541-Y558 WeakPolarHBondContact CB-OH 3.39Å
542	L	97.5	Very high	95.6	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.037	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.7	176.2	-177.6	73.3	0	0	0	109.8	Y480 L510 I531 I533 V552	Y480-L542 HydrophobicContact CD2-CD2 4.31Å; Y480-L542 HydrophobicContact CE2-CD2 3.54Å; L510-L542 HydrophobicContact CD2-CD1 4.23Å; I531-L542 HydrophobicContact CB-CB 4.09Å; I531-L542 HydrophobicContact CB-CD2 4.26Å; I531-L542 HydrophobicContact CD1-CD2 4.37Å; I531-L542 HydrophobicContact CG2-CB 4.05Å; I531-L542 HydrophobicContact CG2-CD2 3.86Å; I531-L542 PolarHBondContact O-N 3.41Å; I533-L542 HydrophobicContact CD1-CB 4.33Å; I533-L542 HydrophobicContact CD1-CD1 4.2Å; I533-L542 HydrophobicContact CD1-CD2 4.47Å; L542-V552 HydrophobicContact CD1-CG1 4.14Å
543	D	96.2	Very high	95.6	Very high	54 Å²	54	47 Å²	47	29%	0.289	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	106.8	162.6	174.9	11.9	0	0	0	108.6	Y545 S546 G550 K551 I553	D543-Y545 PolarHBondContact O-N 3.26Å; D543-Y545 PolarHBondContact OD1-N 2.8Å; D543-S546 PolarHBondContact O-N 2.52Å; D543-S546 WeakPolarHBondContact OD2-CB 3.06Å; D543-S546 PolarHBondContact OD2-OG 2.82Å; D543-G550 CarbonylContact O-C 3.6Å; D543-G550 WeakPolarHBondContact O-CA 3.22Å; D543-K551 PolarHBondContact N-O 3.17Å; D543-K551 PolarHBondContact O-N 3.5Å; D543-I553 HydrophobicContact CB-CG1 4.44Å
544	E	93.7	Very high	95.2	Very high	15 Å²	15	50.7 Å²	50.7	7%	0.07	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-15	-175.9	74.5	-160.4	113.9	0	0	114.2	R474 H475	R474-E544 PolarHBondContact NH1-O 3.37Å; R474-E544 VanDerWaalsContact NH1-O 3.08Å; R474-E544 PolarHBondContact NH2-O 3.08Å; H475-E544 IonicContact CE1-OE1 3.37Å; H475-E544 PolarHBondContact CE1-OE1 3.18Å; H475-E544 IonicContact CG-OE1 3.18Å; H475-E544 IonicContact CG-OE2 3.28Å; H475-E544 PolarHBondContact N-OE2 2.88Å; H475-E544 IonicContact ND1-OE1 2.76Å; H475-E544 PolarHBondContact ND1-OE1 2.76Å; H475-E544 IonicContact ND1-OE2 3.62Å; H475-E544 PolarHBondContact ND1-OE2 2.98Å; H475-E544 VanDerWaalsContact ND1-OE2 3.1Å
545	Y	93	Very high	94.7	Very high	171 Å²	171	55.8 Å²	55.8	67%	0.671	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-12	-179.7	-52.7	-71.4	0	0	0	112.4	D543 G547	D543-Y545 PolarHBondContact O-N 3.26Å; D543-Y545 PolarHBondContact OD1-N 2.8Å; Y545-G547 PolarHBondContact O-N 3.11Å
546	S	93.5	Very high	94.3	Very high	43 Å²	43	61.3 Å²	61.3	30%	0.301	34%	0.34	S	S	.	.	S	Bend	trans	-72.6	108.2	177.1	-91.4	0	0	0	0	111.9	D543 G550	D543-S546 PolarHBondContact O-N 2.52Å; D543-S546 WeakPolarHBondContact OD2-CB 3.06Å; D543-S546 PolarHBondContact OD2-OG 2.82Å; S546-G550 CarbonylContact O-C 3Å; S546-G550 WeakPolarHBondContact O-CA 3.39Å; S546-G550 PolarHBondContact O-N 3.01Å
547	G	90	Very high	94.1	Very high	54 Å²	54	64.6 Å²	64.6	56%	0.557	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	-167.6	179.6	0	0	0	0	0	113.4	Y545 F549	Y545-G547 PolarHBondContact O-N 3.11Å; G547-F549 VanDerWaalsContact C-N 3.3Å; G547-F549 PolarHBondContact O-N 2.85Å
548	P	88.6	Confident	94.1	Very high	98 Å²	98	60.4 Å²	60.4	64%	0.636	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-24.6	-172.7	23.3	-32.6	0	0	0	114.7
549	F	92.4	Very high	94.1	Very high	38 Å²	38	59.8 Å²	59.8	17%	0.167	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.6	18.8	-172.5	39.8	-110.2	0	0	0	113.5	Y480 F487 L489 F500 L505 D509 L510 G547	Y480-F549 PolarHBondContact OH-O 2.54Å; F487-F549 HydrophobicContact CE2-CB 4.41Å; F487-F549 AromaticContact CZ-CD2 3.98Å; F487-F549 HydrophobicContact CZ-CD2 3.98Å; F487-F549 HydrophobicContact CZ-CE2 4.43Å; F487-F549 HydrophobicContact CZ-CG 4.3Å; L489-F549 HydrophobicContact CD2-CB 3.9Å; F500-F549 HydrophobicContact CD2-CB 4.29Å; F500-F549 HydrophobicContact CD2-CD1 4.22Å; F500-F549 HydrophobicContact CE2-CB 3.95Å; F500-F549 HydrophobicContact CE2-CD1 4.05Å; F500-F549 HydrophobicContact CE2-CG 4.13Å; L505-F549 HydrophobicContact CD1-CD1 3.83Å; L505-F549 HydrophobicContact CD1-CE1 3.43Å; L505-F549 VanDerWaalsContact CD1-CE1 3.43Å; L505-F549 HydrophobicContact CD1-CE2 4.34Å; L505-F549 HydrophobicContact CD1-CG 4.43Å; L505-F549 HydrophobicContact CD1-CZ 3.73Å; D509-F549 HydrophobicContact CB-CE2 3.98Å; D509-F549 HydrophobicContact CB-CZ 4.2Å; L510-F549 HydrophobicContact CD2-CD2 4.45Å; L510-F549 WeakPolarHBondContact CD2-O 3.47Å; G547-F549 VanDerWaalsContact C-N 3.3Å; G547-F549 PolarHBondContact O-N 2.85Å
550	G	95.4	Very high	94.1	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.355	C	S	.	.			trans	81.1	160.4	-178.6	0	0	0	0	0	113.7	L510 D543 S546	L510-G550 WeakPolarHBondContact CD2-O 3.32Å; D543-G550 CarbonylContact O-C 3.6Å; D543-G550 WeakPolarHBondContact O-CA 3.22Å; S546-G550 CarbonylContact O-C 3Å; S546-G550 WeakPolarHBondContact O-CA 3.39Å; S546-G550 PolarHBondContact O-N 3.01Å
551	K	97	Very high	94	Very high	108 Å²	108	66.5 Å²	66.5	47%	0.47	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	147.8	171.5	-71.1	-168.2	174.7	-173.3	0	110.9	L510 D543	L510-K551 CarbonylContact O-C 3.51Å; L510-K551 WeakPolarHBondContact O-CA 3.13Å; D543-K551 PolarHBondContact N-O 3.17Å; D543-K551 PolarHBondContact O-N 3.5Å
552	V	97.4	Very high	94	Very high	8 Å²	8	61.8 Å²	61.8	5%	0.048	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	139.2	169	-59	0	0	0	0	109.6	L510 G511 L512 I533 W540 R541 L542 S554	L510-V552 WeakPolarHBondContact O-CG2 3.43Å; L510-V552 PolarHBondContact O-N 2.9Å; G511-V552 VanDerWaalsContact C-CG2 3.49Å; G511-V552 WeakPolarHBondContact O-CG2 3.04Å; L512-V552 HydrophobicContact CD2-CG1 3.95Å; L512-V552 HydrophobicContact CD2-CG2 4.37Å; L512-V552 HydrophobicContact CG-CG1 4.12Å; I533-V552 HydrophobicContact CD1-CG1 3.98Å; W540-V552 HydrophobicContact CB-CB 3.89Å; W540-V552 HydrophobicContact CB-CG1 3.88Å; W540-V552 HydrophobicContact CG-CB 4.17Å; W540-V552 HydrophobicContact CG-CG1 4.31Å; W540-V552 HydrophobicContact CG-CG2 4.3Å; R541-V552 WeakPolarHBondContact O-CA 3.36Å; L542-V552 HydrophobicContact CD1-CG1 4.14Å; V552-S554 PolarHBondContact O-N 2.94Å
553	I	96.3	Very high	93.9	Very high	51 Å²	51	68.2 Å²	68.2	26%	0.262	37%	0.374	S	S	.	.			trans	-63.5	135.6	167.5	-56.2	176.3	0	0	0	106.6	R541 D543 Y558	R541-I553 HydrophobicContact CB-CD1 4.18Å; R541-I553 HydrophobicContact CG-CD1 3.96Å; R541-I553 PolarHBondContact O-N 2.7Å; D543-I553 HydrophobicContact CB-CG1 4.44Å; I553-Y558 HydrophobicContact CB-CD2 3.72Å; I553-Y558 HydrophobicContact CB-CE2 4.02Å; I553-Y558 HydrophobicContact CG2-CD2 3.77Å; I553-Y558 HydrophobicContact CG2-CE2 4.14Å; I553-Y558 VanDerWaalsContact O-CB 3.22Å; I553-Y558 WeakPolarHBondContact O-CB 3.45Å
554	S	90.4	Very high	93.8	Very high	76 Å²	76	70.1 Å²	70.1	53%	0.531	39%	0.385	S	S	.	.			trans	-115.1	-145	-176.1	49.3	0	0	0	0	110.2	V552 D557 Y558	V552-S554 PolarHBondContact O-N 2.94Å; S554-D557 PolarHBondContact O-N 2.9Å; S554-Y558 CarbonylContact C-O 3.12Å; S554-Y558 PolarHBondContact O-N 2.96Å
555	S	86.5	Confident	93.8	Very high	108 Å²	108	70.5 Å²	70.5	76%	0.755	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	141.8	-175.4	-176.2	0	0	0	0	112.2
556	P	89.6	Confident	93.9	Very high	118 Å²	118	62.5 Å²	62.5	77%	0.766	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	cis	-89.2	-8.4	5.8	34.9	-35.3	0	0	0	115
557	D	91.4	Very high	94	Very high	104 Å²	104	65.1 Å²	65.1	56%	0.556	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-28.7	-164.5	-66.1	-31.2	0	0	0	114.3	S554 R560	S554-D557 PolarHBondContact O-N 2.9Å; D557-R560 WeakPolarHBondContact O-CD 3.35Å; D557-R560 WeakPolarHBondContact O-CG 3.21Å
558	Y	96.7	Very high	94.2	Very high	28 Å²	28	64.5 Å²	64.5	11%	0.11	36%	0.357	C	S	.	.			trans	-132.1	154.3	-174.2	-68.5	-79.7	0	0	0	112.6	Y539 W540 R541 I553 S554 R560	Y539-Y558 AromaticContact CD2-CE1 3.96Å; Y539-Y558 HydrophobicContact CD2-CE1 3.96Å; Y539-Y558 AromaticContact CE2-CE1 3.66Å; Y539-Y558 HydrophobicContact CE2-CE1 3.66Å; Y539-Y558 WeakPolarHBondContact O-CD1 3.45Å; W540-Y558 VanDerWaalsContact CA-CD1 3.49Å; W540-Y558 HydrophobicContact CB-CD1 4.47Å; R541-Y558 HydrophobicContact CB-CE1 4.09Å; R541-Y558 HydrophobicContact CB-CE2 3.66Å; R541-Y558 VanDerWaalsContact CB-OH 3.26Å; R541-Y558 WeakPolarHBondContact CB-OH 3.39Å; I553-Y558 HydrophobicContact CB-CD2 3.72Å; I553-Y558 HydrophobicContact CB-CE2 4.02Å; I553-Y558 HydrophobicContact CG2-CD2 3.77Å; I553-Y558 HydrophobicContact CG2-CE2 4.14Å; I553-Y558 VanDerWaalsContact O-CB 3.22Å; I553-Y558 WeakPolarHBondContact O-CB 3.45Å; S554-Y558 CarbonylContact C-O 3.12Å; S554-Y558 PolarHBondContact O-N 2.96Å; Y558-R560 HydrophobicContact CD1-CB 4.46Å; Y558-R560 HydrophobicContact CD1-CG 4.08Å; Y558-R560 HydrophobicContact CE1-CG 4.3Å
559	P	97.1	Very high	94.5	Very high	65 Å²	65	60.3 Å²	60.3	42%	0.422	33%	0.33	S	S	.	.	S	Bend	cis	-70.6	154.3	-0.2	25.8	-32.5	0	0	0	114.4	Y538 W540	Y538-P559 HydrophobicContact CD1-CB 3.94Å; Y538-P559 HydrophobicContact CD1-CG 4.32Å; Y538-P559 HydrophobicContact CG-CB 4.08Å; W540-P559 HydrophobicContact CD2-CB 4.33Å; W540-P559 HydrophobicContact CH2-CB 4.26Å; W540-P559 HydrophobicContact CZ2-CB 3.58Å; W540-P559 HydrophobicContact CZ2-CG 4.11Å
560	R	96.9	Very high	94.6	Very high	107 Å²	107	59 Å²	59	40%	0.404	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	152	170.8	-67.7	-178.4	65	-173.1	-1.7	110.7	Y538 Y539 D557 Y558 T565	Y538-R560 CarbonylContact C-O 3.57Å; Y538-R560 WeakPolarHBondContact CA-O 3.18Å; Y539-R560 HydrophobicContact CD1-CB 3.91Å; Y539-R560 VanDerWaalsContact CD1-O 3.25Å; Y539-R560 WeakPolarHBondContact CD1-O 3.29Å; Y539-R560 HydrophobicContact CE1-CB 3.28Å; Y539-R560 HydrophobicContact CE1-CG 4.46Å; Y539-R560 HydrophobicContact CE2-CB 4.33Å; Y539-R560 PolarHBondContact N-O 3.13Å; Y539-R560 PolarHBondContact O-N 2.8Å; Y539-R560 VanDerWaalsContact O-N 3.09Å; Y539-R560 WeakPolarHBondContact OH-CD 3.5Å; Y539-R560 PolarHBondContact OH-NE 3.37Å; Y539-R560 VanDerWaalsContact OH-NE 3.16Å; Y539-R560 PolarHBondContact OH-NH1 3.17Å; D557-R560 WeakPolarHBondContact O-CD 3.35Å; D557-R560 WeakPolarHBondContact O-CG 3.21Å; Y558-R560 HydrophobicContact CD1-CB 4.46Å; Y558-R560 HydrophobicContact CD1-CG 4.08Å; Y558-R560 HydrophobicContact CE1-CG 4.3Å; R560-T565 PolarHBondContact NH2-OG1 2.81Å
561	L	97	Very high	94.6	Very high	45 Å²	45	62.1 Å²	62.1	24%	0.236	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	130.4	174	-71.1	167.1	0	0	0	109.8	K537 Y538 K563 D564	K537-L561 HydrophobicContact CB-CD2 4.36Å; K537-L561 HydrophobicContact CD-CD2 4.04Å; K537-L561 HydrophobicContact CG-CD2 3.95Å; K537-L561 WeakPolarHBondContact O-CA 3.36Å; Y538-L561 HydrophobicContact CD1-CD2 3.85Å; Y538-L561 HydrophobicContact CD1-CG 4.38Å; Y538-L561 HydrophobicContact CE1-CD2 3.49Å; Y538-L561 VanDerWaalsContact CE1-CD2 3.49Å; Y538-L561 HydrophobicContact CE1-CG 4.11Å; L561-K563 VanDerWaalsContact C-N 3.3Å; L561-K563 HydrophobicContact CB-CG 4.1Å; L561-K563 PolarHBondContact O-N 2.6Å; L561-D564 HydrophobicContact CB-CB 4.4Å; L561-D564 WeakPolarHBondContact CB-OD2 3.19Å; L561-D564 PolarHBondContact O-N 2.74Å
562	I	96.9	Very high	94.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-56	-49	179.8	-66.1	166.9	0	0	0	110	F534 K537 Y539 D564 T565 W566 V569 V571	F534-I562 HydrophobicContact CB-CD1 4.17Å; F534-I562 HydrophobicContact CD2-CD1 3.52Å; F534-I562 HydrophobicContact CD2-CG1 3.92Å; F534-I562 HydrophobicContact CD2-CG2 4.29Å; F534-I562 HydrophobicContact CE2-CD1 4.08Å; F534-I562 HydrophobicContact CE2-CG1 4.03Å; F534-I562 HydrophobicContact CE2-CG2 3.78Å; F534-I562 HydrophobicContact CG-CD1 3.96Å; F534-I562 HydrophobicContact CG-CG1 4.33Å; F534-I562 HydrophobicContact CZ-CG2 4.47Å; K537-I562 PolarHBondContact O-N 3.46Å; Y539-I562 HydrophobicContact CD1-CG1 3.98Å; Y539-I562 HydrophobicContact CG-CG1 4.46Å; I562-D564 PolarHBondContact O-N 3.03Å; I562-T565 PolarHBondContact O-N 3.1Å; I562-T565 VanDerWaalsContact O-N 3.1Å; I562-W566 HydrophobicContact CG2-CB 3.88Å; I562-W566 HydrophobicContact CG2-CG 4.38Å; I562-W566 PolarHBondContact O-N 2.84Å; I562-V569 HydrophobicContact CG2-CB 4.47Å; I562-V569 HydrophobicContact CG2-CG1 4.36Å; I562-V571 HydrophobicContact CB-CG2 3.96Å; I562-V571 HydrophobicContact CD1-CG2 4.4Å; I562-V571 HydrophobicContact CG2-CG2 3.78Å
563	K	95.2	Very high	94.2	Very high	141 Å²	141	59.6 Å²	59.6	61%	0.613	34%	0.339	S	S	*	.	H	α-helix	trans	-55.9	-24.8	-178.2	60.7	159.5	-168.6	171.9	0	115.3	L561	L561-K563 VanDerWaalsContact C-N 3.3Å; L561-K563 HydrophobicContact CB-CG 4.1Å; L561-K563 PolarHBondContact O-N 2.6Å
564	D	94.8	Very high	94.1	Very high	95 Å²	95	60.7 Å²	60.7	51%	0.508	34%	0.343	S	S	.	.	H	α-helix	trans	-82.6	-20.8	-175.5	-64.9	-9.3	0	0	0	111.6	L561 I562	L561-D564 HydrophobicContact CB-CB 4.4Å; L561-D564 WeakPolarHBondContact CB-OD2 3.19Å; L561-D564 PolarHBondContact O-N 2.74Å; I562-D564 PolarHBondContact O-N 3.03Å
565	T	94.2	Very high	94.2	Very high	22 Å²	22	57.2 Å²	57.2	14%	0.135	32%	0.319	C	S	.	.	H	α-helix	trans	-122.8	-44.1	-174.6	-51.9	0	0	0	0	112.5	Y539 R560 I562 Q567 M600	Y539-T565 WeakPolarHBondContact OH-CB 3.3Å; Y539-T565 WeakPolarHBondContact OH-CG2 3.3Å; Y539-T565 PolarHBondContact OH-OG1 3.2Å; Y539-T565 VanDerWaalsContact OH-OG1 3.08Å; R560-T565 PolarHBondContact NH2-OG1 2.81Å; I562-T565 PolarHBondContact O-N 3.1Å; I562-T565 VanDerWaalsContact O-N 3.1Å; T565-Q567 PolarHBondContact O-N 3.14Å; T565-M600 HydrophobicContact CG2-CE 3.66Å; T565-M600 WeakPolarHBondContact O-CE 3.26Å
566	W	95.3	Very high	94.6	Very high	3 Å²	3	52.1 Å²	52.1	1%	0.011	28%	0.283	C	S	.	.	S	Bend	trans	-99.5	69.9	-177.8	-52.8	95.4	0	0	0	109.1	F523 W525 Y532 F534 Y539 I562 G568 V569 F586 F595 M600	F523-W566 AromaticContact CE2-CH2 3.75Å; F523-W566 HydrophobicContact CE2-CH2 3.75Å; F523-W566 HydrophobicContact CE2-CZ2 4.4Å; F523-W566 AromaticContact CE2-CZ3 3.96Å; F523-W566 HydrophobicContact CE2-CZ3 3.96Å; F523-W566 HydrophobicContact CZ-CE3 4.35Å; F523-W566 AromaticContact CZ-CH2 3.7Å; F523-W566 HydrophobicContact CZ-CH2 3.7Å; F523-W566 AromaticContact CZ-CZ2 3.96Å; F523-W566 HydrophobicContact CZ-CZ2 3.96Å; F523-W566 AromaticContact CZ-CZ3 3.91Å; F523-W566 HydrophobicContact CZ-CZ3 3.91Å; W525-W566 HydrophobicContact CB-CH2 4.25Å; W525-W566 AromaticContact CD1-CH2 3.78Å; W525-W566 AromaticContact CD1-CZ3 3.79Å; W525-W566 AromaticContact CD2-CH2 3.82Å; W525-W566 HydrophobicContact CD2-CH2 3.82Å; W525-W566 HydrophobicContact CD2-CZ3 4.36Å; W525-W566 HydrophobicContact CE3-CH2 4.43Å; W525-W566 AromaticContact CG-CH2 3.7Å; W525-W566 HydrophobicContact CG-CH2 3.7Å; W525-W566 HydrophobicContact CG-CZ3 4.19Å; W525-W566 AromaticContact NE1-CH2 3.97Å; W525-W566 AromaticContact NE1-CZ3 3.76Å; Y532-W566 HydrophobicContact CD1-CZ2 4.15Å; Y532-W566 HydrophobicContact CD2-CH2 4.44Å; Y532-W566 HydrophobicContact CD2-CZ2 4.28Å; Y532-W566 HydrophobicContact CE1-CZ2 4.28Å; Y532-W566 HydrophobicContact CE2-CZ2 4.44Å; Y532-W566 HydrophobicContact CG-CZ2 4.12Å; F534-W566 HydrophobicContact CE1-CZ2 4.43Å; F534-W566 AromaticContact CE1-NE1 3.78Å; F534-W566 HydrophobicContact CE2-CG 4.28Å; F534-W566 HydrophobicContact CZ-CB 4.48Å; F534-W566 AromaticContact CZ-CD1 3.5Å; F534-W566 VanDerWaalsContact CZ-CD1 3.5Å; F534-W566 AromaticContact CZ-CD2 3.77Å; F534-W566 HydrophobicContact CZ-CD2 3.77Å; F534-W566 AromaticContact CZ-CE2 3.64Å; F534-W566 AromaticContact CZ-CG 3.69Å; F534-W566 HydrophobicContact CZ-CG 3.69Å; F534-W566 HydrophobicContact CZ-CZ2 4.33Å; F534-W566 AromaticContact CZ-NE1 3.45Å; Y539-W566 AromaticContact CD1-CD1 3.85Å; Y539-W566 AromaticContact CD1-NE1 3.76Å; Y539-W566 AromaticContact CD2-NE1 3.64Å; Y539-W566 AromaticContact CE1-CD1 3.69Å; Y539-W566 AromaticContact CE1-NE1 3.57Å; Y539-W566 AromaticContact CE2-NE1 3.43Å; Y539-W566 AromaticContact CG-NE1 3.79Å; Y539-W566 AromaticContact CZ-CD1 3.99Å; Y539-W566 AromaticContact CZ-NE1 3.42Å; I562-W566 HydrophobicContact CG2-CB 3.88Å; I562-W566 HydrophobicContact CG2-CG 4.38Å; I562-W566 PolarHBondContact O-N 2.84Å; W566-G568 PolarHBondContact O-N 3.26Å; W566-V569 HydrophobicContact CB-CB 4.12Å; W566-V569 HydrophobicContact CB-CG2 3.86Å; W566-V569 WeakPolarHBondContact O-CB 3.31Å; W566-V569 PolarHBondContact O-N 2.88Å; W566-F586 HydrophobicContact CE3-CZ 4.06Å; W566-F586 HydrophobicContact CZ3-CZ 4.41Å; W566-F595 HydrophobicContact CB-CE2 4.37Å; W566-F595 HydrophobicContact CD2-CZ 4.46Å; W566-F595 HydrophobicContact CE3-CD1 4.17Å; W566-F595 AromaticContact CE3-CE1 3.59Å; W566-F595 HydrophobicContact CE3-CE1 3.59Å; W566-F595 HydrophobicContact CE3-CE2 4.18Å; W566-F595 AromaticContact CE3-CZ 3.59Å; W566-F595 HydrophobicContact CE3-CZ 3.59Å; W566-F595 HydrophobicContact CZ3-CD1 4.22Å; W566-F595 AromaticContact CZ3-CE1 3.76Å; W566-F595 HydrophobicContact CZ3-CE1 3.76Å; W566-F595 HydrophobicContact CZ3-CZ 4.23Å; W566-M600 HydrophobicContact CE3-CE 4.31Å; W566-M600 HydrophobicContact CZ3-CE 4.39Å
567	Q	94.7	Very high	94.7	Very high	99 Å²	99	46.9 Å²	46.9	46%	0.463	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-66.6	135	-169.8	-59.5	-177.7	8.3	0	0	110.9	T565 V569 M600 H601 T602	T565-Q567 PolarHBondContact O-N 3.14Å; Q567-V569 PolarHBondContact O-N 2.98Å; Q567-M600 PolarHBondContact N-O 3.08Å; Q567-H601 HydrophobicContact CB-CB 4.25Å; Q567-H601 WeakPolarHBondContact CB-ND1 3.23Å; Q567-H601 WeakPolarHBondContact O-CA 3.41Å; Q567-H601 PolarHBondContact O-ND1 2.89Å; Q567-T602 PolarHBondContact O-N 2.84Å
568	G	94.1	Very high	94.5	Very high	40 Å²	40	42.3 Å²	42.3	41%	0.412	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-7.9	-179.9	0	0	0	0	0	115.2	W566 T602	W566-G568 PolarHBondContact O-N 3.26Å; G568-T602 WeakPolarHBondContact O-CG2 3.43Å
569	V	95	Very high	93.4	Very high	11 Å²	11	41.1 Å²	41.1	7%	0.067	22%	0.221	C	C	.	.			trans	-68.5	137.3	174	173.2	0	0	0	0	110	F534 I562 W566 Q567 T573 F586 F595 T602	F534-V569 HydrophobicContact CE2-CG1 4.29Å; I562-V569 HydrophobicContact CG2-CB 4.47Å; I562-V569 HydrophobicContact CG2-CG1 4.36Å; W566-V569 HydrophobicContact CB-CB 4.12Å; W566-V569 HydrophobicContact CB-CG2 3.86Å; W566-V569 WeakPolarHBondContact O-CB 3.31Å; W566-V569 PolarHBondContact O-N 2.88Å; Q567-V569 PolarHBondContact O-N 2.98Å; V569-T573 WeakPolarHBondContact CG1-OG1 3.43Å; V569-F586 HydrophobicContact CG1-CB 4.2Å; V569-F586 HydrophobicContact CG1-CD1 3.52Å; V569-F586 HydrophobicContact CG1-CD2 4.23Å; V569-F586 HydrophobicContact CG1-CE1 3.85Å; V569-F586 HydrophobicContact CG1-CG 3.73Å; V569-F586 HydrophobicContact CG1-CZ 4.34Å; V569-F586 HydrophobicContact CG2-CD1 4.39Å; V569-F586 HydrophobicContact CG2-CD2 3.7Å; V569-F586 HydrophobicContact CG2-CE1 4.37Å; V569-F586 HydrophobicContact CG2-CE2 3.67Å; V569-F586 HydrophobicContact CG2-CG 4.07Å; V569-F586 HydrophobicContact CG2-CZ 4.03Å; V569-F595 HydrophobicContact CG2-CD2 3.67Å; V569-F595 HydrophobicContact CG2-CE2 3.97Å; V569-T602 HydrophobicContact CG2-CG2 4.15Å
570	P	94.3	Very high	91.8	Very high	9 Å²	9	40.2 Å²	40.2	6%	0.058	21%	0.212	C	C	.	.			trans	-61.6	138.9	177.7	25.4	-36.7	0	0	0	112	P572 T573 F586 E588 Y593	P570-P572 CarbonylContact O-C 3.53Å; P570-P572 VanDerWaalsContact O-C 3.3Å; P570-T573 PolarHBondContact O-N 2.58Å; P570-T573 PolarHBondContact O-OG1 3.42Å; P570-F586 HydrophobicContact CG-CB 4.46Å; P570-E588 HydrophobicContact CB-CB 3.79Å; P570-E588 HydrophobicContact CB-CG 4.07Å; P570-E588 HydrophobicContact CG-CB 3.9Å; P570-Y593 HydrophobicContact CB-CE2 4.09Å; P570-Y593 HydrophobicContact CG-CD2 3.83Å; P570-Y593 HydrophobicContact CG-CE2 3.67Å
571	V	95	Very high	90.2	Very high	66 Å²	66	39.1 Å²	39.1	40%	0.4	22%	0.215	S	C	.	.	S	Bend	trans	-125.9	111.9	179.2	-179.9	0	0	0	0	109.4	K537 I562	K537-V571 HydrophobicContact CB-CG1 3.99Å; I562-V571 HydrophobicContact CB-CG2 3.96Å; I562-V571 HydrophobicContact CD1-CG2 4.4Å; I562-V571 HydrophobicContact CG2-CG2 3.78Å
572	P	92.8	Very high	88.9	Confident	62 Å²	62	40.9 Å²	40.9	40%	0.403	22%	0.224	S	C	.	.	S	Bend	cis	-73.8	155.2	-1.3	32.8	-35.4	0	0	0	112.3	P570	P570-P572 CarbonylContact O-C 3.53Å; P570-P572 VanDerWaalsContact O-C 3.3Å
573	T	93.8	Very high	87.9	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.006	23%	0.234	C	C	.	.			trans	-87.4	130.6	171.6	-56.8	0	0	0	0	109.3	D520 V569 P570 A575 A576 F586	D520-T573 VanDerWaalsContact CB-O 3.23Å; D520-T573 WeakPolarHBondContact CB-O 3.38Å; V569-T573 WeakPolarHBondContact CG1-OG1 3.43Å; P570-T573 PolarHBondContact O-N 2.58Å; P570-T573 PolarHBondContact O-OG1 3.42Å; T573-A575 VanDerWaalsContact CG2-O 3.26Å; T573-A575 WeakPolarHBondContact CG2-O 3.31Å; T573-A576 HydrophobicContact CG2-CB 4.32Å; T573-F586 HydrophobicContact CG2-CB 4.23Å; T573-F586 HydrophobicContact CG2-CD1 3.68Å; T573-F586 HydrophobicContact CG2-CG 4.46Å
574	Q	93.6	Very high	87.7	Confident	75 Å²	75	36.2 Å²	36.2	35%	0.35	20%	0.204	S	C	.	.	S	Bend	trans	-81.8	-41.1	179.5	-70.8	-177.5	-22	0	0	113.7	F587	Q574-F587 PolarHBondContact N-O 2.9Å
575	A	94.2	Very high	87.5	Confident	2 Å²	2	32.3 Å²	32.3	2%	0.017	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	155.9	174.4	0	0	0	0	0	109.3	V411 I414 T573 F586 F587	V411-A575 HydrophobicContact CG1-CB 4.12Å; I414-A575 HydrophobicContact CG1-CB 4.4Å; T573-A575 VanDerWaalsContact CG2-O 3.26Å; T573-A575 WeakPolarHBondContact CG2-O 3.31Å; A575-F586 CarbonylContact O-C 3.47Å; A575-F587 HydrophobicContact CB-CB 4.04Å; A575-F587 HydrophobicContact CB-CD2 4.14Å; A575-F587 HydrophobicContact CB-CG 4.32Å; A575-F587 WeakPolarHBondContact O-CD2 3.37Å; A575-F587 PolarHBondContact O-N 3.23Å
576	A	94.1	Very high	87.4	Confident	2 Å²	2	31.3 Å²	31.3	2%	0.017	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	148.3	173	0	0	0	0	0	110	F523 T573 L585 F586	F523-A576 HydrophobicContact CB-CB 4.04Å; F523-A576 HydrophobicContact CD1-CB 3.6Å; F523-A576 HydrophobicContact CE1-CB 4.33Å; F523-A576 HydrophobicContact CG-CB 4Å; T573-A576 HydrophobicContact CG2-CB 4.32Å; A576-L585 WeakPolarHBondContact CA-O 3.11Å; A576-F586 HydrophobicContact CB-CD1 3.66Å; A576-F586 HydrophobicContact CB-CE1 3.9Å; A576-F586 HydrophobicContact CB-CG 4.46Å
577	F	90.9	Very high	87.3	Confident	7 Å²	7	31.1 Å²	31.1	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	162	168.6	76.2	-75.9	0	0	0	110.3	I414 L422 L585 F587 I614	I414-F577 HydrophobicContact CB-CB 4.37Å; I414-F577 HydrophobicContact CB-CD1 4.06Å; I414-F577 HydrophobicContact CB-CG 4.4Å; I414-F577 HydrophobicContact CD1-CD1 3.59Å; I414-F577 HydrophobicContact CD1-CE1 3.62Å; I414-F577 HydrophobicContact CG1-CD1 4.4Å; I414-F577 HydrophobicContact CG2-CB 4.09Å; I414-F577 HydrophobicContact CG2-CD1 3.79Å; I414-F577 HydrophobicContact CG2-CD2 4.45Å; I414-F577 HydrophobicContact CG2-CE1 4.32Å; I414-F577 HydrophobicContact CG2-CG 3.85Å; L422-F577 HydrophobicContact CD1-CD2 4.39Å; L422-F577 HydrophobicContact CD1-CE1 4.46Å; L422-F577 HydrophobicContact CD1-CE2 3.74Å; L422-F577 HydrophobicContact CD1-CZ 3.79Å; L422-F577 HydrophobicContact CD2-CD2 3.95Å; L422-F577 HydrophobicContact CD2-CE2 3.99Å; F577-L585 HydrophobicContact CD1-CB 4.35Å; F577-L585 HydrophobicContact CE1-CB 4Å; F577-L585 HydrophobicContact CE1-CD2 4.22Å; F577-L585 HydrophobicContact CZ-CB 4.49Å; F577-L585 HydrophobicContact CZ-CD2 4.15Å; F577-L585 PolarHBondContact N-O 3.26Å; F577-L585 PolarHBondContact O-N 2.89Å; F577-F587 AromaticContact CD1-CE2 3.75Å; F577-F587 HydrophobicContact CD1-CE2 3.75Å; F577-F587 HydrophobicContact CD1-CZ 4.37Å; F577-F587 AromaticContact CE1-CE2 3.57Å; F577-F587 HydrophobicContact CE1-CE2 3.57Å; F577-F587 AromaticContact CE1-CZ 3.73Å; F577-F587 HydrophobicContact CE1-CZ 3.73Å; F577-I614 HydrophobicContact CE1-CD1 3.67Å; F577-I614 HydrophobicContact CZ-CD1 3.8Å
578	T	87	Confident	87.2	Confident	8 Å²	8	29.8 Å²	29.8	5%	0.049	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.1	173.5	-66.5	0	0	0	0	110.1	K416 L524 E583 T584	K416-T578 VanDerWaalsContact CD-O 3.29Å; K416-T578 WeakPolarHBondContact CD-O 3.35Å; K416-T578 PolarHBondContact NZ-O 3.46Å; L524-T578 WeakPolarHBondContact O-CB 3.48Å; L524-T578 PolarHBondContact O-OG1 2.72Å; T578-E583 WeakPolarHBondContact CA-O 3.45Å; T578-T584 PolarHBondContact OG1-OG1 3.08Å; T578-T584 VanDerWaalsContact OG1-OG1 3.05Å
579	G	75.3	Confident	87	Confident	4 Å²	4	29.1 Å²	29.1	4%	0.041	16%	0.164	C	C	.	.			trans	-71.6	-157.8	-177.5	0	0	0	0	0	113.6	K416 E583	K416-G579 PolarHBondContact NZ-O 2.75Å; G579-E583 PolarHBondContact N-O 3.33Å
580	L	62.1	Low	86.7	Confident	46 Å²	46	30.3 Å²	30.3	24%	0.241	17%	0.171	C	C	.	.	S	Bend	trans	-85.7	-23.7	-179.6	-69.6	168	0	0	0	114.1	W435 K437 I443 D582	W435-L580 HydrophobicContact CD2-CD1 4.11Å; W435-L580 HydrophobicContact CG-CD1 3.76Å; W435-L580 HydrophobicContact CZ2-CD1 4.49Å; W435-L580 HydrophobicContact CZ2-CD2 3.65Å; W435-L580 HydrophobicContact CZ2-CG 4.28Å; K437-L580 HydrophobicContact CG-CD1 4.02Å; I443-L580 HydrophobicContact CD1-CB 3.95Å; I443-L580 HydrophobicContact CD1-CD1 4.03Å; I443-L580 HydrophobicContact CD1-CG 4.23Å; I443-L580 HydrophobicContact CG1-CD1 4.4Å; I443-L580 HydrophobicContact CG2-CD1 4.34Å; L580-D582 VanDerWaalsContact C-N 3.25Å
581	N	63.5	Low	86.5	Confident	84 Å²	84	32.2 Å²	32.2	45%	0.449	18%	0.18	S	C	.	.	S	Bend	trans	-95.4	23.2	179	-61.5	-18	0	0	0	111.3	E583	N581-E583 HydrophobicContact CB-CG 4.08Å; N581-E583 PolarHBondContact O-N 3.04Å
582	D	69.3	Low	86.3	Confident	81 Å²	81	30.2 Å²	30.2	43%	0.433	17%	0.166	S	C	.	.	S	Bend	trans	56.6	7.3	-169.3	-62.9	-46.7	0	0	0	115.5	L580 T584 N597	L580-D582 VanDerWaalsContact C-N 3.25Å; D582-T584 PolarHBondContact O-N 2.93Å; D582-N597 PolarHBondContact O-ND2 3.49Å
583	E	77.6	Confident	86.3	Confident	43 Å²	43	28.7 Å²	28.7	20%	0.201	15%	0.152	C	C	.	.			trans	-67.1	128.1	173.8	-65.4	178.2	152.1	0	0	110.4	T578 G579 N581 L585 V594 R603	T578-E583 WeakPolarHBondContact CA-O 3.45Å; G579-E583 PolarHBondContact N-O 3.33Å; N581-E583 HydrophobicContact CB-CG 4.08Å; N581-E583 PolarHBondContact O-N 3.04Å; E583-L585 HydrophobicContact CB-CD1 4.21Å; E583-L585 WeakPolarHBondContact O-CD1 2.99Å; E583-V594 HydrophobicContact CB-CG1 4.43Å; E583-R603 IonicContact OE1-CZ 2.85Å; E583-R603 IonicContact OE1-NH1 3.43Å; E583-R603 PolarHBondContact OE1-NH1 3.45Å; E583-R603 IonicContact OE1-NH2 3.6Å; E583-R603 PolarHBondContact OE1-NH2 2.82Å
584	T	89.3	Confident	86.1	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	124.3	173.2	-56.7	0	0	0	0	109.9	F523 T578 D582 F586 F595 N597	F523-T584 HydrophobicContact CD2-CG2 3.6Å; F523-T584 HydrophobicContact CE2-CG2 3.72Å; F523-T584 HydrophobicContact CG-CG2 4.24Å; F523-T584 HydrophobicContact CZ-CG2 4.44Å; T578-T584 PolarHBondContact OG1-OG1 3.08Å; T578-T584 VanDerWaalsContact OG1-OG1 3.05Å; D582-T584 PolarHBondContact O-N 2.93Å; T584-F586 HydrophobicContact CG2-CD2 4.16Å; T584-F586 HydrophobicContact CG2-CE1 4.28Å; T584-F586 HydrophobicContact CG2-CE2 3.45Å; T584-F586 VanDerWaalsContact CG2-CE2 3.45Å; T584-F586 HydrophobicContact CG2-CZ 3.52Å; T584-F595 WeakPolarHBondContact O-CB 3.49Å; T584-F595 PolarHBondContact O-N 2.93Å; T584-N597 PolarHBondContact OG1-OD1 3.19Å
585	L	90.6	Very high	85.9	Confident	14 Å²	14	25.3 Å²	25.3	7%	0.073	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134.5	177.5	-74.2	76.7	0	0	0	109.5	A576 F577 E583 F587 Y592 Y593 V594 I614	A576-L585 WeakPolarHBondContact CA-O 3.11Å; F577-L585 HydrophobicContact CD1-CB 4.35Å; F577-L585 HydrophobicContact CE1-CB 4Å; F577-L585 HydrophobicContact CE1-CD2 4.22Å; F577-L585 HydrophobicContact CZ-CB 4.49Å; F577-L585 HydrophobicContact CZ-CD2 4.15Å; F577-L585 PolarHBondContact N-O 3.26Å; F577-L585 PolarHBondContact O-N 2.89Å; E583-L585 HydrophobicContact CB-CD1 4.21Å; E583-L585 WeakPolarHBondContact O-CD1 2.99Å; L585-F587 HydrophobicContact CB-CE2 3.78Å; L585-F587 HydrophobicContact CB-CZ 4.08Å; L585-F587 HydrophobicContact CD2-CZ 4.26Å; L585-Y592 HydrophobicContact CD2-CD2 3.9Å; L585-Y592 HydrophobicContact CD2-CE2 4.2Å; L585-Y592 HydrophobicContact CG-CD2 4.45Å; L585-Y593 WeakPolarHBondContact CA-O 3.37Å; L585-V594 HydrophobicContact CG-CG2 4.24Å; L585-I614 HydrophobicContact CD2-CD1 4.15Å
586	F	94.2	Very high	85.6	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.2	177.6	-64.8	-87.3	0	0	0	110.1	F523 F534 W566 V569 P570 T573 A575 A576 T584 Y592 Y593 F595	F523-F586 HydrophobicContact CD1-CE1 4.2Å; F523-F586 AromaticContact CE1-CE1 3.59Å; F523-F586 HydrophobicContact CE1-CE1 3.59Å; F523-F586 AromaticContact CE1-CZ 3.97Å; F523-F586 HydrophobicContact CE1-CZ 3.97Å; F523-F586 HydrophobicContact CE2-CZ 4.13Å; F523-F586 AromaticContact CZ-CE1 3.8Å; F523-F586 HydrophobicContact CZ-CE1 3.8Å; F523-F586 AromaticContact CZ-CZ 3.66Å; F523-F586 HydrophobicContact CZ-CZ 3.66Å; F534-F586 AromaticContact CE2-CE1 3.84Å; F534-F586 HydrophobicContact CE2-CE1 3.84Å; F534-F586 HydrophobicContact CZ-CE1 4.2Å; W566-F586 HydrophobicContact CE3-CZ 4.06Å; W566-F586 HydrophobicContact CZ3-CZ 4.41Å; V569-F586 HydrophobicContact CG1-CB 4.2Å; V569-F586 HydrophobicContact CG1-CD1 3.52Å; V569-F586 HydrophobicContact CG1-CD2 4.23Å; V569-F586 HydrophobicContact CG1-CE1 3.85Å; V569-F586 HydrophobicContact CG1-CG 3.73Å; V569-F586 HydrophobicContact CG1-CZ 4.34Å; V569-F586 HydrophobicContact CG2-CD1 4.39Å; V569-F586 HydrophobicContact CG2-CD2 3.7Å; V569-F586 HydrophobicContact CG2-CE1 4.37Å; V569-F586 HydrophobicContact CG2-CE2 3.67Å; V569-F586 HydrophobicContact CG2-CG 4.07Å; V569-F586 HydrophobicContact CG2-CZ 4.03Å; P570-F586 HydrophobicContact CG-CB 4.46Å; T573-F586 HydrophobicContact CG2-CB 4.23Å; T573-F586 HydrophobicContact CG2-CD1 3.68Å; T573-F586 HydrophobicContact CG2-CG 4.46Å; A575-F586 CarbonylContact O-C 3.47Å; A576-F586 HydrophobicContact CB-CD1 3.66Å; A576-F586 HydrophobicContact CB-CE1 3.9Å; A576-F586 HydrophobicContact CB-CG 4.46Å; T584-F586 HydrophobicContact CG2-CD2 4.16Å; T584-F586 HydrophobicContact CG2-CE1 4.28Å; T584-F586 HydrophobicContact CG2-CE2 3.45Å; T584-F586 VanDerWaalsContact CG2-CE2 3.45Å; T584-F586 HydrophobicContact CG2-CZ 3.52Å; F586-Y592 CarbonylContact O-C 3.33Å; F586-Y592 WeakPolarHBondContact O-CA 3.36Å; F586-Y593 PolarHBondContact N-O 3.13Å; F586-Y593 PolarHBondContact O-N 3.17Å; F586-F595 HydrophobicContact CD2-CB 3.88Å; F586-F595 HydrophobicContact CD2-CG 4.5Å; F586-F595 HydrophobicContact CE2-CB 3.53Å; F586-F595 HydrophobicContact CE2-CD1 4.44Å; F586-F595 HydrophobicContact CE2-CD2 4.13Å; F586-F595 AromaticContact CE2-CG 3.81Å; F586-F595 HydrophobicContact CE2-CG 3.81Å
587	F	92.9	Very high	85.1	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.3	-174.5	-64.6	-95.9	0	0	0	111.8	I414 Q574 A575 F577 L585 N591 Y592 A610 I614	I414-F587 HydrophobicContact CD1-CD2 4.05Å; I414-F587 HydrophobicContact CD1-CE1 4.35Å; I414-F587 HydrophobicContact CD1-CE2 3.69Å; I414-F587 HydrophobicContact CD1-CZ 3.89Å; Q574-F587 PolarHBondContact N-O 2.9Å; A575-F587 HydrophobicContact CB-CB 4.04Å; A575-F587 HydrophobicContact CB-CD2 4.14Å; A575-F587 HydrophobicContact CB-CG 4.32Å; A575-F587 WeakPolarHBondContact O-CD2 3.37Å; A575-F587 PolarHBondContact O-N 3.23Å; F577-F587 AromaticContact CD1-CE2 3.75Å; F577-F587 HydrophobicContact CD1-CE2 3.75Å; F577-F587 HydrophobicContact CD1-CZ 4.37Å; F577-F587 AromaticContact CE1-CE2 3.57Å; F577-F587 HydrophobicContact CE1-CE2 3.57Å; F577-F587 AromaticContact CE1-CZ 3.73Å; F577-F587 HydrophobicContact CE1-CZ 3.73Å; L585-F587 HydrophobicContact CB-CE2 3.78Å; L585-F587 HydrophobicContact CB-CZ 4.08Å; L585-F587 HydrophobicContact CD2-CZ 4.26Å; F587-N591 WeakPolarHBondContact CA-O 3.19Å; F587-Y592 VanDerWaalsContact CE1-CB 3.42Å; F587-Y592 HydrophobicContact CE1-CG 4.31Å; F587-A610 HydrophobicContact CD1-CB 4.03Å; F587-A610 HydrophobicContact CE1-CB 3.89Å; F587-I614 HydrophobicContact CE1-CD1 3.68Å; F587-I614 HydrophobicContact CE2-CD1 4.35Å; F587-I614 HydrophobicContact CZ-CD1 3.25Å
588	E	92.7	Very high	84.9	Confident	71 Å²	71	34.7 Å²	34.7	33%	0.332	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	116.4	173.5	-178.3	-170.6	-144.8	0	0	109.6	P570 T590 N591 Y593	P570-E588 HydrophobicContact CB-CB 3.79Å; P570-E588 HydrophobicContact CB-CG 4.07Å; P570-E588 HydrophobicContact CG-CB 3.9Å; E588-T590 PolarHBondContact O-N 3.37Å; E588-N591 PolarHBondContact N-O 3.09Å; E588-N591 WeakPolarHBondContact O-CA 3.44Å; E588-N591 WeakPolarHBondContact O-CB 3.48Å; E588-N591 PolarHBondContact O-N 3.5Å; E588-Y593 HydrophobicContact CB-CE2 4.04Å; E588-Y593 PolarHBondContact OE2-OH 3.23Å
589	G	89.4	Confident	84.9	Confident	26 Å²	26	37.7 Å²	37.7	27%	0.268	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	-128	-173.8	0	0	0	0	0	110.7	S410 N591	S410-G589 VanDerWaalsContact CA-O 3.25Å; S410-G589 WeakPolarHBondContact CA-O 3.43Å; S410-G589 WeakPolarHBondContact CB-O 3.37Å; G589-N591 VanDerWaalsContact C-N 3.26Å
590	T	88.5	Confident	85.7	Confident	35 Å²	35	39.6 Å²	39.6	22%	0.215	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	6.6	176.8	55.4	0	0	0	0	112.9	E588 Q609 A610	E588-T590 PolarHBondContact O-N 3.37Å; T590-Q609 CarbonylContact O-C 3.54Å; T590-Q609 WeakPolarHBondContact O-CA 3.45Å; T590-A610 PolarHBondContact O-N 3.49Å
591	N	90.8	Very high	87.2	Confident	49 Å²	49	41.4 Å²	41.4	26%	0.262	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	153.6	-174.4	-67.3	-41.4	0	0	0	112.3	F587 E588 G589 P607 K608	F587-N591 WeakPolarHBondContact CA-O 3.19Å; E588-N591 PolarHBondContact N-O 3.09Å; E588-N591 WeakPolarHBondContact O-CA 3.44Å; E588-N591 WeakPolarHBondContact O-CB 3.48Å; E588-N591 PolarHBondContact O-N 3.5Å; G589-N591 VanDerWaalsContact C-N 3.26Å; N591-P607 HydrophobicContact CB-CB 3.72Å; N591-K608 CarbonylContact C-O 3.51Å; N591-K608 VanDerWaalsContact CA-O 3.24Å; N591-K608 WeakPolarHBondContact CA-O 3.31Å
592	Y	89.7	Confident	88.5	Confident	25 Å²	25	38 Å²	38	10%	0.098	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	156.2	167.9	78.8	-77.2	0	0	0	111.5	L585 F586 F587 V594 Y606 P607 K608 Q609 A610	L585-Y592 HydrophobicContact CD2-CD2 3.9Å; L585-Y592 HydrophobicContact CD2-CE2 4.2Å; L585-Y592 HydrophobicContact CG-CD2 4.45Å; F586-Y592 CarbonylContact O-C 3.33Å; F586-Y592 WeakPolarHBondContact O-CA 3.36Å; F587-Y592 VanDerWaalsContact CE1-CB 3.42Å; F587-Y592 HydrophobicContact CE1-CG 4.31Å; Y592-V594 HydrophobicContact CD2-CG2 4.15Å; Y592-V594 HydrophobicContact CE2-CG2 3.78Å; Y592-Y606 HydrophobicContact CD2-CD1 4.41Å; Y592-Y606 AromaticContact CD2-CE1 3.99Å; Y592-Y606 HydrophobicContact CD2-CE1 3.99Å; Y592-Y606 HydrophobicContact CE2-CD1 4.21Å; Y592-Y606 AromaticContact CE2-CE1 3.39Å; Y592-Y606 HydrophobicContact CE2-CE1 3.39Å; Y592-Y606 AromaticContact CZ-CE1 3.68Å; Y592-Y606 WeakPolarHBondContact O-CD1 3.45Å; Y592-P607 WeakPolarHBondContact O-CA 3.21Å; Y592-K608 HydrophobicContact CD1-CB 4.13Å; Y592-K608 WeakPolarHBondContact CD1-O 3.4Å; Y592-K608 HydrophobicContact CE1-CB 3.51Å; Y592-K608 PolarHBondContact N-O 3.23Å; Y592-K608 PolarHBondContact O-N 3.45Å; Y592-Q609 WeakPolarHBondContact CE1-O 3.2Å; Y592-A610 HydrophobicContact CD1-CB 4.12Å
593	Y	92.4	Very high	89.4	Confident	30 Å²	30	38.6 Å²	38.6	12%	0.118	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.7	177.3	-57.4	-105.1	0	0	0	108	P570 L585 F586 E588 T602 P607	P570-Y593 HydrophobicContact CB-CE2 4.09Å; P570-Y593 HydrophobicContact CG-CD2 3.83Å; P570-Y593 HydrophobicContact CG-CE2 3.67Å; L585-Y593 WeakPolarHBondContact CA-O 3.37Å; F586-Y593 PolarHBondContact N-O 3.13Å; F586-Y593 PolarHBondContact O-N 3.17Å; E588-Y593 HydrophobicContact CB-CE2 4.04Å; E588-Y593 PolarHBondContact OE2-OH 3.23Å; Y593-T602 HydrophobicContact CD1-CG2 4.22Å; Y593-T602 HydrophobicContact CG-CG2 4.48Å; Y593-P607 HydrophobicContact CD1-CB 4.16Å; Y593-P607 HydrophobicContact CD2-CB 4.44Å; Y593-P607 HydrophobicContact CE1-CB 3.72Å; Y593-P607 HydrophobicContact CE1-CG 3.87Å; Y593-P607 HydrophobicContact CE2-CB 4.03Å; Y593-P607 HydrophobicContact CG-CB 4.5Å
594	V	89.3	Confident	89.9	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.024	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.6	169.5	174.8	0	0	0	0	108.3	E583 L585 Y592 T602 R603 Y606	E583-V594 HydrophobicContact CB-CG1 4.43Å; L585-V594 HydrophobicContact CG-CG2 4.24Å; Y592-V594 HydrophobicContact CD2-CG2 4.15Å; Y592-V594 HydrophobicContact CE2-CG2 3.78Å; V594-T602 CarbonylContact O-C 3.58Å; V594-T602 WeakPolarHBondContact O-CA 3.37Å; V594-R603 HydrophobicContact CG1-CG 4.34Å; V594-R603 PolarHBondContact O-N 3.08Å; V594-Y606 HydrophobicContact CB-CD2 4.2Å; V594-Y606 HydrophobicContact CB-CE1 4.08Å; V594-Y606 HydrophobicContact CB-CE2 3.73Å; V594-Y606 HydrophobicContact CG2-CD1 4.33Å; V594-Y606 HydrophobicContact CG2-CE1 3.54Å; V594-Y606 HydrophobicContact CG2-CE2 3.94Å; V594-Y606 VanDerWaalsContact CG2-OH 3.31Å; V594-Y606 WeakPolarHBondContact CG2-OH 3.32Å
595	F	90.7	Very high	89.8	Confident	1 Å²	1	45.5 Å²	45.5	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	131.3	179	-169.3	-102.5	0	0	0	110.9	W566 V569 T584 F586 N597 M600 T602	W566-F595 HydrophobicContact CB-CE2 4.37Å; W566-F595 HydrophobicContact CD2-CZ 4.46Å; W566-F595 HydrophobicContact CE3-CD1 4.17Å; W566-F595 AromaticContact CE3-CE1 3.59Å; W566-F595 HydrophobicContact CE3-CE1 3.59Å; W566-F595 HydrophobicContact CE3-CE2 4.18Å; W566-F595 AromaticContact CE3-CZ 3.59Å; W566-F595 HydrophobicContact CE3-CZ 3.59Å; W566-F595 HydrophobicContact CZ3-CD1 4.22Å; W566-F595 AromaticContact CZ3-CE1 3.76Å; W566-F595 HydrophobicContact CZ3-CE1 3.76Å; W566-F595 HydrophobicContact CZ3-CZ 4.23Å; V569-F595 HydrophobicContact CG2-CD2 3.67Å; V569-F595 HydrophobicContact CG2-CE2 3.97Å; T584-F595 WeakPolarHBondContact O-CB 3.49Å; T584-F595 PolarHBondContact O-N 2.93Å; F586-F595 HydrophobicContact CD2-CB 3.88Å; F586-F595 HydrophobicContact CD2-CG 4.5Å; F586-F595 HydrophobicContact CE2-CB 3.53Å; F586-F595 HydrophobicContact CE2-CD1 4.44Å; F586-F595 HydrophobicContact CE2-CD2 4.13Å; F586-F595 AromaticContact CE2-CG 3.81Å; F586-F595 HydrophobicContact CE2-CG 3.81Å; F595-N597 PolarHBondContact O-N 2.85Å; F595-M600 HydrophobicContact CE1-CE 4.1Å; F595-M600 HydrophobicContact CE1-SD 3.77Å; F595-M600 VanDerWaalsContact CZ-CA 3.45Å; F595-M600 HydrophobicContact CZ-CB 4.19Å; F595-M600 HydrophobicContact CZ-CE 3.96Å; F595-M600 HydrophobicContact CZ-SD 4.02Å; F595-T602 HydrophobicContact CD2-CG2 4.33Å
596	D	87.3	Confident	89.7	Confident	46 Å²	46	47.2 Å²	47.2	25%	0.246	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	107.7	169.9	-167.5	-48.6	0	0	0	108.6	I598 A599 M600 H601 R603	D596-I598 PolarHBondContact O-N 2.96Å; D596-I598 PolarHBondContact OD1-N 3.4Å; D596-A599 HydrophobicContact CB-CB 4.03Å; D596-A599 PolarHBondContact OD1-N 3.15Å; D596-M600 VanDerWaalsContact O-CA 3.31Å; D596-M600 WeakPolarHBondContact O-CA 3.41Å; D596-M600 PolarHBondContact O-N 2.94Å; D596-H601 WeakPolarHBondContact CB-O 3.36Å; D596-H601 PolarHBondContact N-O 2.83Å; D596-H601 PolarHBondContact O-N 2.71Å; D596-R603 HydrophobicContact CB-CG 4.05Å
597	N	84.8	Confident	89.6	Confident	14 Å²	14	50.1 Å²	50.1	8%	0.075	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-24.7	-177.1	-68.5	-22.6	0	0	0	113.9	W525 E527 D582 T584 F595 M600	W525-N597 HydrophobicContact CZ2-CB 4.42Å; W525-N597 PolarHBondContact NE1-OD1 3.19Å; E527-N597 HydrophobicContact CG-CB 3.52Å; E527-N597 WeakPolarHBondContact OE1-CB 3.04Å; E527-N597 PolarHBondContact OE1-ND2 2.85Å; D582-N597 PolarHBondContact O-ND2 3.49Å; T584-N597 PolarHBondContact OG1-OD1 3.19Å; F595-N597 PolarHBondContact O-N 2.85Å; N597-M600 VanDerWaalsContact O-SD 3.33Å
598	I	85.1	Confident	89.2	Confident	148 Å²	148	53.9 Å²	53.9	76%	0.759	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-46.6	-179.2	-59.6	176	0	0	0	109.3	D596 M600	D596-I598 PolarHBondContact O-N 2.96Å; D596-I598 PolarHBondContact OD1-N 3.4Å; I598-M600 VanDerWaalsContact C-N 3.28Å; I598-M600 PolarHBondContact O-N 2.87Å
599	A	86.9	Confident	88.7	Confident	70 Å²	70	55 Å²	55	58%	0.579	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-13.8	178.7	0	0	0	0	0	113.5	D596 H601	D596-A599 HydrophobicContact CB-CB 4.03Å; D596-A599 PolarHBondContact OD1-N 3.15Å; A599-H601 VanDerWaalsContact C-N 3.27Å; A599-H601 PolarHBondContact O-N 2.93Å
600	M	92.4	Very high	88	Confident	45 Å²	45	53.9 Å²	53.9	22%	0.222	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	37.3	-176.7	-65.5	-63.8	-65.6	0	0	113.9	W525 T565 W566 Q567 F595 D596 N597 I598	W525-M600 HydrophobicContact CH2-CE 4.44Å; W525-M600 HydrophobicContact CH2-SD 3.92Å; W525-M600 HydrophobicContact CZ2-CE 4.18Å; W525-M600 HydrophobicContact CZ2-SD 3.41Å; W525-M600 WeakPolarHBondContact CZ2-SD 3.41Å; T565-M600 HydrophobicContact CG2-CE 3.66Å; T565-M600 WeakPolarHBondContact O-CE 3.26Å; W566-M600 HydrophobicContact CE3-CE 4.31Å; W566-M600 HydrophobicContact CZ3-CE 4.39Å; Q567-M600 PolarHBondContact N-O 3.08Å; F595-M600 HydrophobicContact CE1-CE 4.1Å; F595-M600 HydrophobicContact CE1-SD 3.77Å; F595-M600 VanDerWaalsContact CZ-CA 3.45Å; F595-M600 HydrophobicContact CZ-CB 4.19Å; F595-M600 HydrophobicContact CZ-CE 3.96Å; F595-M600 HydrophobicContact CZ-SD 4.02Å; D596-M600 VanDerWaalsContact O-CA 3.31Å; D596-M600 WeakPolarHBondContact O-CA 3.41Å; D596-M600 PolarHBondContact O-N 2.94Å; N597-M600 VanDerWaalsContact O-SD 3.33Å; I598-M600 VanDerWaalsContact C-N 3.28Å; I598-M600 PolarHBondContact O-N 2.87Å
601	H	92.9	Very high	86.9	Confident	83 Å²	83	52.3 Å²	52.3	38%	0.384	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	154.7	176	-173.6	66.4	0	0	0	111.3	Q567 D596 A599	Q567-H601 HydrophobicContact CB-CB 4.25Å; Q567-H601 WeakPolarHBondContact CB-ND1 3.23Å; Q567-H601 WeakPolarHBondContact O-CA 3.41Å; Q567-H601 PolarHBondContact O-ND1 2.89Å; D596-H601 WeakPolarHBondContact CB-O 3.36Å; D596-H601 PolarHBondContact N-O 2.83Å; D596-H601 PolarHBondContact O-N 2.71Å; A599-H601 VanDerWaalsContact C-N 3.27Å; A599-H601 PolarHBondContact O-N 2.93Å
602	T	92.2	Very high	85	Confident	13 Å²	13	55.5 Å²	55.5	8%	0.08	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	136.8	170.3	50.1	0	0	0	0	111.8	Q567 G568 V569 Y593 V594 F595	Q567-T602 PolarHBondContact O-N 2.84Å; G568-T602 WeakPolarHBondContact O-CG2 3.43Å; V569-T602 HydrophobicContact CG2-CG2 4.15Å; Y593-T602 HydrophobicContact CD1-CG2 4.22Å; Y593-T602 HydrophobicContact CG-CG2 4.48Å; V594-T602 CarbonylContact O-C 3.58Å; V594-T602 WeakPolarHBondContact O-CA 3.37Å; F595-T602 HydrophobicContact CD2-CG2 4.33Å
603	R	88.5	Confident	83.5	Confident	93 Å²	93	55.4 Å²	55.4	35%	0.351	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-61.6	148.8	179.5	-75	-169.7	177.3	158.9	8.9	111.6	E583 V594 D596 Y606	E583-R603 IonicContact OE1-CZ 2.85Å; E583-R603 IonicContact OE1-NH1 3.43Å; E583-R603 PolarHBondContact OE1-NH1 3.45Å; E583-R603 IonicContact OE1-NH2 3.6Å; E583-R603 PolarHBondContact OE1-NH2 2.82Å; V594-R603 HydrophobicContact CG1-CG 4.34Å; V594-R603 PolarHBondContact O-N 3.08Å; D596-R603 HydrophobicContact CB-CG 4.05Å; R603-Y606 HydrophobicContact CB-CD2 3.88Å; R603-Y606 HydrophobicContact CB-CE2 3.99Å; R603-Y606 WeakPolarHBondContact O-CD2 2.93Å
604	P	88	Confident	82.1	Confident	127 Å²	127	54.3 Å²	54.3	83%	0.825	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	145.1	172.2	-23.6	33.8	0	0	0	112.4
605	G	86.8	Confident	80.9	Confident	61 Å²	61	54.3 Å²	54.3	63%	0.629	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	10.5	179.1	0	0	0	0	0	115.2	K608	G605-K608 WeakPolarHBondContact O-CE 3.15Å
606	Y	88.3	Confident	79.1	Confident	51 Å²	51	55.9 Å²	55.9	20%	0.2	33%	0.325	C	S	.	.			trans	-105.8	153.4	167.7	-71	-84.5	0	0	0	110.5	Y592 V594 R603 K608	Y592-Y606 HydrophobicContact CD2-CD1 4.41Å; Y592-Y606 AromaticContact CD2-CE1 3.99Å; Y592-Y606 HydrophobicContact CD2-CE1 3.99Å; Y592-Y606 HydrophobicContact CE2-CD1 4.21Å; Y592-Y606 AromaticContact CE2-CE1 3.39Å; Y592-Y606 HydrophobicContact CE2-CE1 3.39Å; Y592-Y606 AromaticContact CZ-CE1 3.68Å; Y592-Y606 WeakPolarHBondContact O-CD1 3.45Å; V594-Y606 HydrophobicContact CB-CD2 4.2Å; V594-Y606 HydrophobicContact CB-CE1 4.08Å; V594-Y606 HydrophobicContact CB-CE2 3.73Å; V594-Y606 HydrophobicContact CG2-CD1 4.33Å; V594-Y606 HydrophobicContact CG2-CE1 3.54Å; V594-Y606 HydrophobicContact CG2-CE2 3.94Å; V594-Y606 VanDerWaalsContact CG2-OH 3.31Å; V594-Y606 WeakPolarHBondContact CG2-OH 3.32Å; R603-Y606 HydrophobicContact CB-CD2 3.88Å; R603-Y606 HydrophobicContact CB-CE2 3.99Å; R603-Y606 WeakPolarHBondContact O-CD2 2.93Å; Y606-K608 HydrophobicContact CD1-CB 4.13Å; Y606-K608 HydrophobicContact CD1-CD 4.19Å; Y606-K608 HydrophobicContact CD1-CG 3.88Å; Y606-K608 HydrophobicContact CE1-CB 4.14Å; Y606-K608 HydrophobicContact CE1-CD 3.68Å; Y606-K608 HydrophobicContact CE1-CG 3.88Å
607	P	91.1	Very high	77.7	Confident	61 Å²	61	54.3 Å²	54.3	40%	0.396	32%	0.318	S	S	.	.			cis	-72.4	157	6.6	24.6	-29.5	0	0	0	115.1	N591 Y592 Y593	N591-P607 HydrophobicContact CB-CB 3.72Å; Y592-P607 WeakPolarHBondContact O-CA 3.21Å; Y593-P607 HydrophobicContact CD1-CB 4.16Å; Y593-P607 HydrophobicContact CD2-CB 4.44Å; Y593-P607 HydrophobicContact CE1-CB 3.72Å; Y593-P607 HydrophobicContact CE1-CG 3.87Å; Y593-P607 HydrophobicContact CE2-CB 4.03Å; Y593-P607 HydrophobicContact CG-CB 4.5Å
608	K	85.7	Confident	75.9	Confident	78 Å²	78	62.2 Å²	62.2	34%	0.339	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	158.5	168.3	-68.7	-177	-176	172.3	0	110	N591 Y592 G605 Y606 A610	N591-K608 CarbonylContact C-O 3.51Å; N591-K608 VanDerWaalsContact CA-O 3.24Å; N591-K608 WeakPolarHBondContact CA-O 3.31Å; Y592-K608 HydrophobicContact CD1-CB 4.13Å; Y592-K608 WeakPolarHBondContact CD1-O 3.4Å; Y592-K608 HydrophobicContact CE1-CB 3.51Å; Y592-K608 PolarHBondContact N-O 3.23Å; Y592-K608 PolarHBondContact O-N 3.45Å; G605-K608 WeakPolarHBondContact O-CE 3.15Å; Y606-K608 HydrophobicContact CD1-CB 4.13Å; Y606-K608 HydrophobicContact CD1-CD 4.19Å; Y606-K608 HydrophobicContact CD1-CG 3.88Å; Y606-K608 HydrophobicContact CE1-CB 4.14Å; Y606-K608 HydrophobicContact CE1-CD 3.68Å; Y606-K608 HydrophobicContact CE1-CG 3.88Å; K608-A610 PolarHBondContact O-N 2.96Å
609	Q	81.8	Confident	73.8	Confident	95 Å²	95	66.6 Å²	66.6	44%	0.444	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	126.2	175.8	-72.4	-171.9	-17.3	0	0	111.4	T590 Y592 S611	T590-Q609 CarbonylContact O-C 3.54Å; T590-Q609 WeakPolarHBondContact O-CA 3.45Å; Y592-Q609 WeakPolarHBondContact CE1-O 3.2Å; Q609-S611 VanDerWaalsContact C-N 3.27Å; Q609-S611 PolarHBondContact O-N 3.04Å
610	A	75.6	Confident	73.2	Confident	3 Å²	3	66.4 Å²	66.4	3%	0.025	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-68.8	-26.8	180	0	0	0	0	0	112.8	F587 T590 Y592 K608 L612 G613 I614	F587-A610 HydrophobicContact CD1-CB 4.03Å; F587-A610 HydrophobicContact CE1-CB 3.89Å; T590-A610 PolarHBondContact O-N 3.49Å; Y592-A610 HydrophobicContact CD1-CB 4.12Å; K608-A610 PolarHBondContact O-N 2.96Å; A610-L612 VanDerWaalsContact C-N 3.3Å; A610-L612 PolarHBondContact O-N 3.13Å; A610-G613 PolarHBondContact O-N 3.42Å; A610-G613 VanDerWaalsContact O-N 3.09Å; A610-I614 PolarHBondContact O-N 2.83Å; A610-I614 VanDerWaalsContact O-N 3.15Å
611	S	64.9	Low	72.1	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.007	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-57.3	-39.3	-178.6	48.9	0	0	0	0	113.5	F406 C407 Q609 G613 C617	F406-S611 WeakPolarHBondContact O-CB 3.27Å; C407-S611 WeakPolarHBondContact O-CB 3.48Å; C407-S611 PolarHBondContact O-OG 2.91Å; C407-S611 VanDerWaalsContact O-OG 3.09Å; Q609-S611 VanDerWaalsContact C-N 3.27Å; Q609-S611 PolarHBondContact O-N 3.04Å; S611-G613 PolarHBondContact O-N 3.42Å; S611-C617 VanDerWaalsContact O-CB 3.24Å; S611-C617 WeakPolarHBondContact O-CB 3.45Å; S611-C617 PolarHBondContact O-N 2.71Å
612	L	50.1	Low	71	Confident	116 Å²	116	66.7 Å²	66.7	61%	0.607	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-71.1	-18.3	179.9	-69.7	167.5	0	0	0	113.5	A610	A610-L612 VanDerWaalsContact C-N 3.3Å; A610-L612 PolarHBondContact O-N 3.13Å
613	G	58	Low	69.7	Low	24 Å²	24	69.8 Å²	69.8	25%	0.247	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-68.8	-172.6	0	0	0	0	0	113.3	Y445 A610 S611	Y445-G613 VanDerWaalsContact CD2-O 3.27Å; Y445-G613 WeakPolarHBondContact CD2-O 3.27Å; A610-G613 PolarHBondContact O-N 3.42Å; A610-G613 VanDerWaalsContact O-N 3.09Å; S611-G613 PolarHBondContact O-N 3.42Å
614	I	63.4	Low	68.6	Low	7 Å²	7	68.4 Å²	68.4	4%	0.036	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-34.4	-163.4	-67.3	167.8	0	0	0	113	L422 V424 Y445 F577 L585 F587 A610	L422-I614 HydrophobicContact CD1-CG2 4.34Å; V424-I614 HydrophobicContact CG2-CG2 4.29Å; Y445-I614 VanDerWaalsContact CB-O 3.32Å; Y445-I614 WeakPolarHBondContact CB-O 3.48Å; Y445-I614 HydrophobicContact CD2-CB 4.26Å; Y445-I614 HydrophobicContact CD2-CG1 3.72Å; Y445-I614 HydrophobicContact CE1-CG1 4.49Å; Y445-I614 HydrophobicContact CE2-CG1 3.58Å; Y445-I614 HydrophobicContact CG-CB 4.37Å; Y445-I614 HydrophobicContact CG-CG1 4.2Å; Y445-I614 HydrophobicContact CG-CG2 4.48Å; F577-I614 HydrophobicContact CE1-CD1 3.67Å; F577-I614 HydrophobicContact CZ-CD1 3.8Å; L585-I614 HydrophobicContact CD2-CD1 4.15Å; F587-I614 HydrophobicContact CE1-CD1 3.68Å; F587-I614 HydrophobicContact CE2-CD1 4.35Å; F587-I614 HydrophobicContact CZ-CD1 3.25Å; A610-I614 PolarHBondContact O-N 2.83Å; A610-I614 VanDerWaalsContact O-N 3.15Å
615	L	63.7	Low	67.3	Low	3 Å²	3	64.5 Å²	64.5	2%	0.016	36%	0.355	C	S	.	.	S	Bend	trans	-96.6	9.2	-179.3	-66.7	174.3	0	0	0	112.7	F406 I409 V411 V424 F447 C617	F406-L615 HydrophobicContact CD1-CB 4.41Å; I409-L615 HydrophobicContact CG2-CD1 3.29Å; V411-L615 HydrophobicContact CG2-CD1 3.97Å; V424-L615 HydrophobicContact CB-CD2 4.36Å; V424-L615 HydrophobicContact CG1-CD2 3.95Å; F447-L615 HydrophobicContact CE1-CD2 3.82Å; F447-L615 WeakPolarHBondContact CE2-O 3.45Å; F447-L615 HydrophobicContact CZ-CB 4.09Å; F447-L615 HydrophobicContact CZ-CD2 3.82Å; F447-L615 WeakPolarHBondContact CZ-O 3.17Å; L615-C617 PolarHBondContact O-N 3.36Å
616	G	54.6	Low	65.9	Low	35 Å²	35	64.7 Å²	64.7	36%	0.361	34%	0.335	S	S	.	.			trans	55.9	40.5	169.8	0	0	0	0	0	115	M618	G616-M618 PolarHBondContact O-N 3.29Å
617	C	57.6	Low	64.1	Low	13 Å²	13	65.8 Å²	65.8	9%	0.088	35%	0.346	C	S	.	.			trans	-62.5	106.4	169.2	162.5	0	0	0	0	108.6	C407 S611 L615	C407-C617 VanDerWaalsContact CA-SG 3.58Å; C407-C617 HydrophobicContact CB-CB 4.09Å; C407-C617 WeakPolarHBondContact CB-SG 3.16Å; C407-C617 WeakPolarHBondContact SG-CB 3.39Å; C407-C617 CovalentContact SG-SG 2.05Å; C407-C617 PolarHBondContact SG-SG 2.57Å; S611-C617 VanDerWaalsContact O-CB 3.24Å; S611-C617 WeakPolarHBondContact O-CB 3.45Å; S611-C617 PolarHBondContact O-N 2.71Å; L615-C617 PolarHBondContact O-N 3.36Å
618	M	47.2	Very low	61.9	Low	180 Å²	180	66.2 Å²	66.2	89%	0.887	34%	0.341	S	S	*	.			trans	-88.7	118.4	162.4	-58.4	-170.1	-56.1	0	0	107	G616	G616-M618 PolarHBondContact O-N 3.29Å
619	K	40.3	Very low	59.7	Low	239 Å²	239	65.1 Å²	65.1	100%	1.039	34%	0.342	S	S	*	.			trans	-81.3	0	167.5	-85.1	-169.5	177.3	179.9	0	111

Retrieved 619 of 619 residues in 254.8 ms (Link to these results)

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