A0A068F4C8_HUMAN Loading...

Glucosylceramidase

AlphaFold DB , UniProt , Accession A0A068F4C8, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 398 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	66.1	Low	37.6	Very low	29 Å²	29	106.1 Å²	106.1	14%	0.143	56%	0.556	C	S	.	*				0	139.5	0	-59.6	175.9	-169.5	0	0	108.3	L337 V338 A347 T372 K374	M1-L337 HydrophobicContact CB-CD1 3.66Å; M1-L337 HydrophobicContact CB-CG 4.04Å; M1-L337 HydrophobicContact SD-CD2 3.81Å; M1-L337 HydrophobicContact SD-CG 4.2Å; M1-V338 CarbonylContact C-O 3.45Å; M1-V338 WeakPolarHBondContact CA-O 3.35Å; M1-A347 HydrophobicContact CE-CB 3.84Å; M1-A347 HydrophobicContact SD-CB 3.62Å; M1-T372 PolarHBondContact N-O 3.4Å; M1-K374 PolarHBondContact O-N 2.84Å
2	E	47.8	Very low	36.4	Very low	91 Å²	91	108 Å²	108	43%	0.425	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.1	126.5	-178.4	-174.8	161.4	-147.2	0	0	111.1	L337 V338 K374	E2-L337 WeakPolarHBondContact O-CA 3.45Å; E2-V338 PolarHBondContact N-O 3.43Å; E2-V338 PolarHBondContact O-N 3.16Å; E2-K374 HydrophobicContact CG-CD 4.21Å; E2-K374 WeakPolarHBondContact OE1-CE 3.41Å; E2-K374 IonicContact OE1-NZ 2.66Å; E2-K374 PolarHBondContact OE1-NZ 3.45Å
3	F	41.7	Very low	35.6	Very low	2 Å²	2	112.7 Å²	112.7	1%	0.009	59%	0.591	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.1	130.1	179.5	-175.8	-88.4	0	0	0	110.2	V335 A349 M351 P357 K374 D375 P376	F3-V335 HydrophobicContact CD2-CG2 4.03Å; F3-V335 HydrophobicContact CE1-CG2 4.29Å; F3-V335 HydrophobicContact CE2-CG2 3.35Å; F3-V335 HydrophobicContact CZ-CG2 3.5Å; F3-A349 HydrophobicContact CD2-CB 3.79Å; F3-A349 HydrophobicContact CE2-CB 3.83Å; F3-M351 HydrophobicContact CE1-CE 3.52Å; F3-M351 HydrophobicContact CZ-CE 3.44Å; F3-M351 VanDerWaalsContact CZ-CE 3.44Å; F3-M351 HydrophobicContact CZ-SD 4.32Å; F3-P357 HydrophobicContact CE1-CB 4.44Å; F3-P357 HydrophobicContact CE2-CB 3.83Å; F3-P357 HydrophobicContact CZ-CB 3.65Å; F3-K374 VanDerWaalsContact CB-O 3.25Å; F3-K374 WeakPolarHBondContact CB-O 3.36Å; F3-K374 PolarHBondContact N-O 3.25Å; F3-D375 HydrophobicContact CB-CB 4.45Å; F3-P376 WeakPolarHBondContact O-CD 3.25Å; F3-P376 WeakPolarHBondContact O-CG 3.48Å
4	S	46.2	Very low	34.8	Very low	49 Å²	49	113.4 Å²	113.4	34%	0.343	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-98	145.2	179.8	57.2	0	0	0	0	112.2	G336	S4-G336 PolarHBondContact N-O 3.23Å; S4-G336 WeakPolarHBondContact OG-CA 3.5Å; S4-G336 PolarHBondContact OG-N 3.38Å; S4-G336 VanDerWaalsContact OG-N 3.11Å; S4-G336 PolarHBondContact OG-O 3.45Å
5	S	40.3	Very low	34.2	Very low	66 Å²	66	113.3 Å²	113.3	46%	0.462	62%	0.618	S	S	.	*	P	Polyproline II helix	trans	-80.2	148.8	169.4	-58.3	0	0	0	0	109.8	S7 R397	S5-S7 PolarHBondContact O-N 2.7Å; S5-R397 PolarHBondContact OG-NH2 2.87Å
6	P	33.7	Very low	33.8	Very low	81 Å²	81	110.3 Å²	110.3	53%	0.526	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-63.1	127.3	179	23.6	-30.9	0	0	0	111
7	S	29	Very low	34	Very low	108 Å²	108	110.2 Å²	110.2	76%	0.755	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-77	137.9	174.2	51.5	0	0	0	0	111.2	S5 E9	S5-S7 PolarHBondContact O-N 2.7Å; S7-E9 PolarHBondContact O-N 3.36Å
8	R	28.3	Very low	33.8	Very low	252 Å²	252	111.8 Å²	111.8	95%	0.951	62%	0.622	S	S	*	*			trans	-83.5	81.7	169.9	-77.1	-176.8	175.2	-179.9	-1.9	109.5
9	E	25.4	Very low	33.7	Very low	180 Å²	180	108.1 Å²	108.1	84%	0.841	60%	0.604	S	S	*	*			trans	-132.8	117.7	157.9	-79.6	-173.6	159.4	0	0	108.7	S7 C11	S7-E9 PolarHBondContact O-N 3.36Å; E9-C11 PolarHBondContact O-N 3.15Å
10	E	33.2	Very low	33.7	Very low	206 Å²	206	105.7 Å²	105.7	96%	0.963	59%	0.589	S	S	*	*			trans	-73.9	116.6	180	-76.8	178.4	148.6	0	0	110.3
11	C	21.4	Very low	33.6	Very low	103 Å²	103	102.9 Å²	102.9	70%	0.696	57%	0.572	S	S	*	*			trans	-131.5	137.1	160.6	-141.9	0	0	0	0	106.1	E9 K13	E9-C11 PolarHBondContact O-N 3.15Å; C11-K13 PolarHBondContact O-N 2.98Å
12	P	23.5	Very low	32.1	Very low	129 Å²	129	101.6 Å²	101.6	84%	0.838	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-63.3	116.5	-169.9	23.8	-29.7	0	0	0	109.8
13	K	26.8	Very low	31.3	Very low	169 Å²	169	99.7 Å²	99.7	74%	0.735	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-79	124.9	-171.9	-63.2	175.7	-177.9	173.4	0	110	C11 S15	C11-K13 PolarHBondContact O-N 2.98Å; K13-S15 PolarHBondContact O-N 3.07Å
14	P	23.9	Very low	31.2	Very low	123 Å²	123	99.9 Å²	99.9	80%	0.799	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-65.1	123.5	153.2	26.2	-27.3	0	0	0	106.9	G16	P14-G16 PolarHBondContact O-N 2.68Å
15	S	25.9	Very low	30.8	Very low	112 Å²	112	98 Å²	98	78%	0.783	56%	0.558	S	S	*	*			trans	-71	63.5	176.9	59.4	0	0	0	0	110.7	K13 R17	K13-S15 PolarHBondContact O-N 3.07Å; S15-R17 PolarHBondContact O-N 3.4Å
16	G	27.9	Very low	30.7	Very low	65 Å²	65	95.1 Å²	95.1	67%	0.67	54%	0.538	S	S	*	.			trans	-74.4	104.2	174.7	0	0	0	0	0	109.7	P14 V18	P14-G16 PolarHBondContact O-N 2.68Å; G16-V18 PolarHBondContact O-N 2.95Å
17	R	37.4	Very low	30.7	Very low	109 Å²	109	91.6 Å²	91.6	41%	0.411	52%	0.516	S	S	.	.			trans	-66.7	120.8	164.3	-81.7	-172.2	-179.2	173.5	2	108.2	S15 S129 E330	S15-R17 PolarHBondContact O-N 3.4Å; R17-S129 PolarHBondContact NH1-OG 3.18Å; R17-E330 IonicContact CZ-OE1 2.83Å; R17-E330 IonicContact NE-OE1 2.68Å; R17-E330 PolarHBondContact NE-OE1 3.36Å; R17-E330 IonicContact NH1-OE1 3.55Å; R17-E330 IonicContact NH2-OE1 2.77Å; R17-E330 PolarHBondContact NH2-OE1 3.38Å; R17-E330 IonicContact NH2-OE2 3.89Å
18	V	29.5	Very low	31.2	Very low	139 Å²	139	86.8 Å²	86.8	84%	0.842	48%	0.482	S	S	*	.			trans	-88.5	103.7	159.8	178.9	0	0	0	0	105.8	G16	G16-V18 PolarHBondContact O-N 2.95Å
19	S	32.3	Very low	31.7	Very low	40 Å²	40	75.2 Å²	75.2	28%	0.28	44%	0.439	S	S	.	.			trans	-125.4	137.3	176.8	-62.4	0	0	0	0	110	M21	S19-M21 PolarHBondContact O-N 2.94Å
20	I	33	Very low	32.2	Very low	60 Å²	60	67.5 Å²	67.5	31%	0.308	40%	0.403	S	S	.	.			trans	-82.9	110.9	177.7	-67.6	171.5	0	0	0	106.8	L321 F324	I20-L321 HydrophobicContact CG2-CD2 3.58Å; I20-F324 HydrophobicContact CD1-CB 3Å; I20-F324 HydrophobicContact CD1-CD1 4.04Å; I20-F324 HydrophobicContact CD1-CD2 4.19Å; I20-F324 HydrophobicContact CD1-CG 3.53Å; I20-F324 HydrophobicContact CG1-CB 4.5Å
21	M	33.2	Very low	32.3	Very low	48 Å²	48	60.6 Å²	60.6	24%	0.236	37%	0.373	C	S	.	.			trans	-72.9	131	179.5	-74.5	-152.5	-174.2	0	0	111.3	S19 G23 L131 Q265	S19-M21 PolarHBondContact O-N 2.94Å; M21-G23 PolarHBondContact O-N 2.99Å; M21-L131 HydrophobicContact CE-CD2 3.22Å; M21-L131 HydrophobicContact SD-CD2 3.61Å; M21-Q265 HydrophobicContact CE-CG 4.42Å; M21-Q265 PolarHBondContact SD-NE2 3.23Å
22	A	34.1	Very low	32.9	Very low	2 Å²	2	56.6 Å²	56.6	2%	0.017	34%	0.344	C	S	.	.			trans	-75.4	76.8	166.6	0	0	0	0	0	109.7	S24 L25 Y72 I74	A22-S24 PolarHBondContact O-N 2.76Å; A22-S24 VanDerWaalsContact O-N 3.08Å; A22-L25 HydrophobicContact CB-CB 4.47Å; A22-L25 PolarHBondContact O-N 3.08Å; A22-Y72 HydrophobicContact CB-CD2 3.37Å; A22-Y72 HydrophobicContact CB-CE2 3.42Å; A22-Y72 VanDerWaalsContact CB-CE2 3.42Å; A22-Y72 HydrophobicContact CB-CG 4.06Å; A22-I74 WeakPolarHBondContact CB-O 3.37Å
23	G	31.4	Very low	33.2	Very low	50 Å²	50	51 Å²	51	52%	0.515	31%	0.308	S	S	.	.	H	α-helix	trans	-57.4	-16.5	162.2	0	0	0	0	0	112.2	M21	M21-G23 PolarHBondContact O-N 2.99Å
24	S	39.7	Very low	33.5	Very low	6 Å²	6	44.7 Å²	44.7	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-81.2	-19.5	-178.8	83.2	0	0	0	0	115.3	A22 L28 Y72	A22-S24 PolarHBondContact O-N 2.76Å; A22-S24 VanDerWaalsContact O-N 3.08Å; S24-L28 WeakPolarHBondContact O-CB 3.32Å; S24-L28 PolarHBondContact O-N 3.42Å; S24-Y72 WeakPolarHBondContact OG-CE2 3.27Å
25	L	36.9	Very low	33.9	Very low	11 Å²	11	39.5 Å²	39.5	6%	0.058	25%	0.25	C	S	.	.	H	α-helix	trans	-78.9	-36	177.8	-144	81.7	0	0	0	110.3	A22 L28 L29 N64 I75	A22-L25 HydrophobicContact CB-CB 4.47Å; A22-L25 PolarHBondContact O-N 3.08Å; L25-L28 PolarHBondContact O-N 2.91Å; L25-L29 WeakPolarHBondContact O-CB 3.49Å; L25-L29 WeakPolarHBondContact O-CD1 3.21Å; L25-L29 WeakPolarHBondContact O-CG 3.32Å; L25-L29 PolarHBondContact O-N 2.96Å; L25-N64 HydrophobicContact CD1-CB 4.23Å; L25-I75 HydrophobicContact CD2-CB 4.22Å; L25-I75 HydrophobicContact CD2-CD1 3.55Å; L25-I75 HydrophobicContact CD2-CG1 3.54Å; L25-I75 HydrophobicContact CD2-CG2 3.8Å
26	T	37.8	Very low	34	Very low	5 Å²	5	39.4 Å²	39.4	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-67.1	-43.6	178	-40	0	0	0	0	112.4	L28 L29 L30 W76 P78	T26-L28 VanDerWaalsContact C-N 3.3Å; T26-L28 PolarHBondContact O-N 3.42Å; T26-L29 PolarHBondContact O-N 3.01Å; T26-L30 HydrophobicContact CG2-CD1 3.82Å; T26-L30 WeakPolarHBondContact O-CB 3.12Å; T26-L30 VanDerWaalsContact O-CD1 3.22Å; T26-L30 WeakPolarHBondContact O-CD1 3.34Å; T26-L30 WeakPolarHBondContact O-CG 3.24Å; T26-L30 PolarHBondContact O-N 2.65Å; T26-W76 HydrophobicContact CG2-CE3 3.9Å; T26-W76 HydrophobicContact CG2-CZ3 4.41Å; T26-W76 WeakPolarHBondContact OG1-CB 3.25Å; T26-W76 PolarHBondContact OG1-O 3.25Å; T26-P78 VanDerWaalsContact CG2-CD 3.43Å; T26-P78 HydrophobicContact CG2-CG 3.49Å; T26-P78 VanDerWaalsContact CG2-CG 3.49Å
27	G	35.1	Very low	34	Very low	7 Å²	7	38.3 Å²	38.3	7%	0.072	22%	0.218	C	C	.	.	H	α-helix	trans	-60.5	-38.4	171.8	0	0	0	0	0	112.6	L30 L31	G27-L30 PolarHBondContact O-N 3.16Å; G27-L31 VanDerWaalsContact O-CB 3.31Å; G27-L31 WeakPolarHBondContact O-CB 3.31Å; G27-L31 WeakPolarHBondContact O-CG 3.37Å; G27-L31 PolarHBondContact O-N 2.89Å
28	L	38.6	Very low	33.6	Very low	7 Å²	7	36.1 Å²	36.1	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-70.5	-41.8	174.7	-119.8	129.6	0	0	0	113.5	S24 L25 T26 L30 L31 Q32 T60 I303	S24-L28 WeakPolarHBondContact O-CB 3.32Å; S24-L28 PolarHBondContact O-N 3.42Å; L25-L28 PolarHBondContact O-N 2.91Å; T26-L28 VanDerWaalsContact C-N 3.3Å; T26-L28 PolarHBondContact O-N 3.42Å; L28-L30 PolarHBondContact O-N 3.4Å; L28-L31 PolarHBondContact O-N 3.43Å; L28-Q32 WeakPolarHBondContact O-CB 3.12Å; L28-Q32 VanDerWaalsContact O-CG 3.29Å; L28-Q32 WeakPolarHBondContact O-CG 3.15Å; L28-Q32 PolarHBondContact O-N 2.9Å; L28-Q32 PolarHBondContact O-OE1 3.4Å; L28-T60 HydrophobicContact CD1-CG2 3.57Å; L28-T60 HydrophobicContact CD2-CG2 3.36Å; L28-T60 HydrophobicContact CG-CG2 4.1Å; L28-I303 HydrophobicContact CD1-CB 3.87Å; L28-I303 HydrophobicContact CD1-CD1 4.1Å; L28-I303 HydrophobicContact CD1-CG2 4.06Å
29	L	38.5	Very low	33.6	Very low	9 Å²	9	32.2 Å²	32.2	5%	0.047	19%	0.193	C	C	.	.	H	α-helix	trans	-60	-35.4	174.5	-73.8	165.8	0	0	0	110.6	L25 T26 A33 I75 L116	L25-L29 WeakPolarHBondContact O-CB 3.49Å; L25-L29 WeakPolarHBondContact O-CD1 3.21Å; L25-L29 WeakPolarHBondContact O-CG 3.32Å; L25-L29 PolarHBondContact O-N 2.96Å; T26-L29 PolarHBondContact O-N 3.01Å; L29-A33 PolarHBondContact O-N 3.31Å; L29-I75 HydrophobicContact CD1-CG2 4.24Å; L29-L116 HydrophobicContact CD2-CB 3.54Å; L29-L116 HydrophobicContact CD2-CD1 3.77Å; L29-L116 HydrophobicContact CD2-CG 4.29Å
30	L	36.6	Very low	33.5	Very low	18 Å²	18	39.5 Å²	39.5	9%	0.094	22%	0.223	C	C	.	.	H	α-helix	trans	-83.4	-36.6	178.4	-72.2	152.6	0	0	0	112.7	T26 G27 L28 Q32 A33 V34 P78 F84	T26-L30 HydrophobicContact CG2-CD1 3.82Å; T26-L30 WeakPolarHBondContact O-CB 3.12Å; T26-L30 VanDerWaalsContact O-CD1 3.22Å; T26-L30 WeakPolarHBondContact O-CD1 3.34Å; T26-L30 WeakPolarHBondContact O-CG 3.24Å; T26-L30 PolarHBondContact O-N 2.65Å; G27-L30 PolarHBondContact O-N 3.16Å; L28-L30 PolarHBondContact O-N 3.4Å; L30-Q32 VanDerWaalsContact C-N 3.3Å; L30-Q32 PolarHBondContact O-N 3.12Å; L30-A33 CarbonylContact O-C 3.5Å; L30-A33 WeakPolarHBondContact O-CA 3.48Å; L30-A33 WeakPolarHBondContact O-CB 3.4Å; L30-A33 PolarHBondContact O-N 2.95Å; L30-A33 VanDerWaalsContact O-N 3.11Å; L30-V34 WeakPolarHBondContact O-CG2 3.48Å; L30-V34 PolarHBondContact O-N 3.42Å; L30-P78 HydrophobicContact CD1-CG 4.26Å; L30-F84 HydrophobicContact CB-CB 3.78Å; L30-F84 HydrophobicContact CD1-CB 3.53Å; L30-F84 HydrophobicContact CD1-CG 4.4Å; L30-F84 HydrophobicContact CD2-CB 4.27Å; L30-F84 HydrophobicContact CG-CB 4.02Å
31	L	34.2	Very low	33.2	Very low	61 Å²	61	42.1 Å²	42.1	32%	0.319	25%	0.245	S	C	.	.	H	α-helix	trans	-64.4	-33.9	170.9	-85.7	164.6	0	0	0	112.4	G27 L28 V34 S35 E301	G27-L31 VanDerWaalsContact O-CB 3.31Å; G27-L31 WeakPolarHBondContact O-CB 3.31Å; G27-L31 WeakPolarHBondContact O-CG 3.37Å; G27-L31 PolarHBondContact O-N 2.89Å; L28-L31 PolarHBondContact O-N 3.43Å; L31-V34 WeakPolarHBondContact O-CB 3.15Å; L31-V34 PolarHBondContact O-N 3.27Å; L31-S35 PolarHBondContact O-N 2.95Å; L31-S35 VanDerWaalsContact O-N 3.13Å; L31-E301 VanDerWaalsContact CD1-CD 3.47Å; L31-E301 WeakPolarHBondContact CD1-OE1 3.33Å; L31-E301 WeakPolarHBondContact CD1-OE2 3.48Å
32	Q	34.5	Very low	33.1	Very low	19 Å²	19	45.7 Å²	45.7	9%	0.089	27%	0.265	C	S	.	.	H	α-helix	trans	-65.2	-40.1	170	-76.1	168.1	-26.2	0	0	111.1	L28 L30 V34 S35 W36 E57 L116	L28-Q32 WeakPolarHBondContact O-CB 3.12Å; L28-Q32 VanDerWaalsContact O-CG 3.29Å; L28-Q32 WeakPolarHBondContact O-CG 3.15Å; L28-Q32 PolarHBondContact O-N 2.9Å; L28-Q32 PolarHBondContact O-OE1 3.4Å; L30-Q32 VanDerWaalsContact C-N 3.3Å; L30-Q32 PolarHBondContact O-N 3.12Å; Q32-V34 VanDerWaalsContact C-N 3.3Å; Q32-V34 PolarHBondContact O-N 2.97Å; Q32-S35 PolarHBondContact O-N 2.79Å; Q32-S35 VanDerWaalsContact O-N 3.11Å; Q32-S35 PolarHBondContact O-OG 3.45Å; Q32-W36 PolarHBondContact O-N 3.49Å; Q32-W36 VanDerWaalsContact O-N 3.14Å; Q32-E57 HydrophobicContact CG-CG 4.44Å; Q32-E57 PolarHBondContact NE2-OE1 3.4Å; Q32-L116 HydrophobicContact CB-CD1 4.45Å
33	A	30.7	Very low	32.7	Very low	11 Å²	11	51.2 Å²	51.2	9%	0.091	29%	0.29	C	S	.	.	H	α-helix	trans	-62.5	-34.2	171.3	0	0	0	0	0	113.4	L29 L30 S35 W36 A37 L112	L29-A33 PolarHBondContact O-N 3.31Å; L30-A33 CarbonylContact O-C 3.5Å; L30-A33 WeakPolarHBondContact O-CA 3.48Å; L30-A33 WeakPolarHBondContact O-CB 3.4Å; L30-A33 PolarHBondContact O-N 2.95Å; L30-A33 VanDerWaalsContact O-N 3.11Å; A33-S35 VanDerWaalsContact C-N 3.33Å; A33-S35 PolarHBondContact O-N 2.57Å; A33-W36 PolarHBondContact O-N 3.43Å; A33-A37 PolarHBondContact O-N 2.96Å; A33-A37 VanDerWaalsContact O-N 3.1Å; A33-L112 HydrophobicContact CB-CD1 3.6Å
34	V	32.1	Very low	32.9	Very low	36 Å²	36	54.2 Å²	54.2	22%	0.218	30%	0.301	C	S	.	.	H	α-helix	trans	-63.7	-36.9	172.5	175.7	0	0	0	0	111.6	L30 L31 Q32 S38 I86	L30-V34 WeakPolarHBondContact O-CG2 3.48Å; L30-V34 PolarHBondContact O-N 3.42Å; L31-V34 WeakPolarHBondContact O-CB 3.15Å; L31-V34 PolarHBondContact O-N 3.27Å; Q32-V34 VanDerWaalsContact C-N 3.3Å; Q32-V34 PolarHBondContact O-N 2.97Å; V34-S38 PolarHBondContact O-N 3.32Å; V34-S38 PolarHBondContact O-OG 2.95Å; V34-I86 HydrophobicContact CB-CG2 4.35Å; V34-I86 HydrophobicContact CG2-CG2 3.77Å
35	S	32.7	Very low	32.6	Very low	14 Å²	14	59.1 Å²	59.1	10%	0.098	33%	0.326	C	S	.	.	H	α-helix	trans	-69.2	-38.2	176.1	69.8	0	0	0	0	112.9	L31 Q32 A33 S38	L31-S35 PolarHBondContact O-N 2.95Å; L31-S35 VanDerWaalsContact O-N 3.13Å; Q32-S35 PolarHBondContact O-N 2.79Å; Q32-S35 VanDerWaalsContact O-N 3.11Å; Q32-S35 PolarHBondContact O-OG 3.45Å; A33-S35 VanDerWaalsContact C-N 3.33Å; A33-S35 PolarHBondContact O-N 2.57Å; S35-S38 WeakPolarHBondContact CA-OG 3.24Å; S35-S38 PolarHBondContact O-N 2.81Å; S35-S38 PolarHBondContact O-OG 3.44Å
36	W	27.8	Very low	32.7	Very low	110 Å²	110	64.1 Å²	64.1	42%	0.417	35%	0.349	S	S	.	.	H	α-helix	trans	-68.3	-37.7	178.1	-110.8	72.1	0	0	0	113.3	Q32 A33 D39 L112	Q32-W36 PolarHBondContact O-N 3.49Å; Q32-W36 VanDerWaalsContact O-N 3.14Å; A33-W36 PolarHBondContact O-N 3.43Å; W36-D39 WeakPolarHBondContact O-CB 3.19Å; W36-D39 PolarHBondContact O-N 3.41Å; W36-L112 HydrophobicContact CB-CD1 4.46Å; W36-L112 HydrophobicContact CB-CD2 4.22Å; W36-L112 HydrophobicContact CD2-CD2 3.86Å; W36-L112 HydrophobicContact CE3-CD2 4.44Å; W36-L112 HydrophobicContact CG-CD2 3.73Å
37	A	27.5	Very low	32.5	Very low	43 Å²	43	72.3 Å²	72.3	36%	0.355	39%	0.387	S	S	.	.	H	α-helix	trans	-81.9	-16.1	178.2	0	0	0	0	0	115.1	A33 I86	A33-A37 PolarHBondContact O-N 2.96Å; A33-A37 VanDerWaalsContact O-N 3.1Å; A37-I86 HydrophobicContact CB-CB 4.49Å; A37-I86 HydrophobicContact CB-CD1 2.95Å; A37-I86 HydrophobicContact CB-CG1 4.23Å; A37-I86 HydrophobicContact CB-CG2 4.39Å
38	S	30.1	Very low	32.4	Very low	63 Å²	63	79.1 Å²	79.1	44%	0.441	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-73.7	-13.5	165.9	53.4	0	0	0	0	113.3	V34 S35 E40 C41	V34-S38 PolarHBondContact O-N 3.32Å; V34-S38 PolarHBondContact O-OG 2.95Å; S35-S38 WeakPolarHBondContact CA-OG 3.24Å; S35-S38 PolarHBondContact O-N 2.81Å; S35-S38 PolarHBondContact O-OG 3.44Å; S38-E40 VanDerWaalsContact C-N 3.34Å; S38-E40 PolarHBondContact O-N 3.36Å; S38-C41 PolarHBondContact O-N 2.92Å
39	D	30	Very low	32.3	Very low	56 Å²	56	82.6 Å²	82.6	30%	0.299	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-80.1	-6.7	-178.6	-85.8	-22.2	0	0	0	114.4	W36 C41	W36-D39 WeakPolarHBondContact O-CB 3.19Å; W36-D39 PolarHBondContact O-N 3.41Å; D39-C41 PolarHBondContact O-N 3.13Å
40	E	30.2	Very low	32.2	Very low	194 Å²	194	85 Å²	85	91%	0.907	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-67.7	-9.4	168.7	-83.1	-165	156.9	0	0	113.2	S38	S38-E40 VanDerWaalsContact C-N 3.34Å; S38-E40 PolarHBondContact O-N 3.36Å
41	C	26.3	Very low	31.9	Very low	114 Å²	114	93.9 Å²	93.9	77%	0.77	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-102.9	-6.4	-179	-126.8	0	0	0	0	115.3	S38 D39	S38-C41 PolarHBondContact O-N 2.92Å; D39-C41 PolarHBondContact O-N 3.13Å
42	L	29.7	Very low	32	Very low	123 Å²	123	92 Å²	92	64%	0.644	47%	0.468	S	S	*	.			trans	-148.9	92.3	-175.2	-73.1	171.6	0	0	0	114
43	Q	27.4	Very low	32.3	Very low	118 Å²	118	92.3 Å²	92.3	55%	0.551	47%	0.471	S	S	*	.			trans	-102.3	138.7	153.5	-71	-85.1	-28.5	0	0	108.1	Q46	Q43-Q46 VanDerWaalsContact CD-OE1 3.31Å; Q43-Q46 VanDerWaalsContact OE1-OE1 3.05Å
44	P	35.7	Very low	33.5	Very low	113 Å²	113	93.8 Å²	93.8	73%	0.734	48%	0.477	S	S	*	.	S	Bend	cis	-137.8	113	29.5	32.9	-11	0	0	0	114
45	L	32.5	Very low	34.5	Very low	110 Å²	110	92.9 Å²	92.9	58%	0.576	48%	0.475	S	S	*	.			trans	-164.8	45.4	168.3	-105.7	167.4	0	0	0	110.4	K49	L45-K49 WeakPolarHBondContact O-CG 3.41Å
46	Q	39.9	Very low	35.5	Very low	116 Å²	116	92.7 Å²	92.7	54%	0.542	47%	0.474	S	S	.	.	H	α-helix	trans	-78.8	-33.1	-157.1	-145.5	168.1	-3	0	0	114.5	Q43 Q50	Q43-Q46 VanDerWaalsContact CD-OE1 3.31Å; Q43-Q46 VanDerWaalsContact OE1-OE1 3.05Å; Q46-Q50 VanDerWaalsContact O-CB 3.27Å; Q46-Q50 WeakPolarHBondContact O-CB 3.47Å; Q46-Q50 PolarHBondContact O-N 3Å
47	E	32.7	Very low	36.9	Very low	177 Å²	177	88.3 Å²	88.3	83%	0.827	46%	0.458	S	S	*	.	H	α-helix	trans	-78.5	-38.5	-172.6	-67.3	179.3	168.7	0	0	113.8	W51	E47-W51 PolarHBondContact O-N 2.9Å
48	Q	32.4	Very low	38.3	Very low	150 Å²	150	92 Å²	92	70%	0.701	46%	0.464	S	S	*	.	H	α-helix	trans	-75.8	-32.2	178.7	-74.9	-176.1	-10.3	0	0	112.8	A52	Q48-A52 PolarHBondContact O-N 2.87Å
49	K	37.4	Very low	39.6	Very low	80 Å²	80	94.3 Å²	94.3	35%	0.348	46%	0.463	S	S	.	.	H	α-helix	trans	-70.4	-42.8	175.5	-73.9	-179.3	179.3	-178	0	111.7	L45 W51 A52 L53	L45-K49 WeakPolarHBondContact O-CG 3.41Å; K49-W51 PolarHBondContact O-N 3.12Å; K49-A52 PolarHBondContact O-N 3.33Å; K49-L53 WeakPolarHBondContact O-CB 3.34Å; K49-L53 VanDerWaalsContact O-CG 3.31Å; K49-L53 WeakPolarHBondContact O-CG 3.46Å; K49-L53 PolarHBondContact O-N 3.38Å
50	Q	35.8	Very low	41	Very low	60 Å²	60	91.7 Å²	91.7	28%	0.28	45%	0.449	S	S	.	.	H	α-helix	trans	-61.3	-44	177.3	-170.4	61.1	43.4	0	0	111.5	Q46 A52 L53 D54	Q46-Q50 VanDerWaalsContact O-CB 3.27Å; Q46-Q50 WeakPolarHBondContact O-CB 3.47Å; Q46-Q50 PolarHBondContact O-N 3Å; Q50-A52 PolarHBondContact O-N 2.99Å; Q50-L53 PolarHBondContact O-N 3.02Å; Q50-D54 VanDerWaalsContact O-CB 3.3Å; Q50-D54 WeakPolarHBondContact O-CB 3.26Å; Q50-D54 VanDerWaalsContact O-CG 3.3Å; Q50-D54 PolarHBondContact O-N 3.31Å
51	W	31.3	Very low	42.4	Very low	203 Å²	203	83 Å²	83	77%	0.769	41%	0.408	S	S	*	.	H	α-helix	trans	-61.1	-42.5	174.3	163.9	-101.5	0	0	0	113.8	E47 K49 G55	E47-W51 PolarHBondContact O-N 2.9Å; K49-W51 PolarHBondContact O-N 3.12Å; W51-G55 PolarHBondContact O-N 2.98Å
52	A	35.4	Very low	43.8	Very low	21 Å²	21	80.9 Å²	80.9	17%	0.174	39%	0.387	C	S	.	.	H	α-helix	trans	-70.4	-36.6	179.4	0	0	0	0	0	112.2	Q48 K49 Q50 A56 H310	Q48-A52 PolarHBondContact O-N 2.87Å; K49-A52 PolarHBondContact O-N 3.33Å; Q50-A52 PolarHBondContact O-N 2.99Å; A52-A56 PolarHBondContact O-N 3.39Å; A52-H310 HydrophobicContact CB-CB 4.47Å
53	L	41.7	Very low	45	Very low	27 Å²	27	75.4 Å²	75.4	14%	0.141	36%	0.36	C	S	.	.	H	α-helix	trans	-62.9	-59.1	169.8	-73.6	165.2	0	0	0	109.3	K49 Q50 G55 A56 E57	K49-L53 WeakPolarHBondContact O-CB 3.34Å; K49-L53 VanDerWaalsContact O-CG 3.31Å; K49-L53 WeakPolarHBondContact O-CG 3.46Å; K49-L53 PolarHBondContact O-N 3.38Å; Q50-L53 PolarHBondContact O-N 3.02Å; L53-G55 CarbonylContact O-C 3.58Å; L53-G55 PolarHBondContact O-N 3.13Å; L53-A56 CarbonylContact O-C 3.37Å; L53-A56 WeakPolarHBondContact O-CA 3.23Å; L53-A56 PolarHBondContact O-N 2.96Å; L53-E57 WeakPolarHBondContact O-CG 3.4Å; L53-E57 PolarHBondContact O-N 3.08Å
54	D	54.4	Low	46.5	Very low	42 Å²	42	69.8 Å²	69.8	23%	0.225	33%	0.334	C	S	.	.	H	α-helix	trans	-48.5	-38.1	176	-78.5	-43.8	0	0	0	111.9	Q50 Y58 R119	Q50-D54 VanDerWaalsContact O-CB 3.3Å; Q50-D54 WeakPolarHBondContact O-CB 3.26Å; Q50-D54 VanDerWaalsContact O-CG 3.3Å; Q50-D54 PolarHBondContact O-N 3.31Å; D54-Y58 WeakPolarHBondContact O-CB 3.44Å; D54-Y58 PolarHBondContact O-N 2.95Å; D54-R119 IonicContact OD1-CZ 2.73Å; D54-R119 IonicContact OD1-NH1 3.58Å; D54-R119 PolarHBondContact OD1-NH1 3.46Å; D54-R119 IonicContact OD1-NH2 3.65Å; D54-R119 PolarHBondContact OD1-NH2 2.88Å
55	G	53.4	Low	47.4	Very low	17 Å²	17	64.7 Å²	64.7	18%	0.175	30%	0.301	C	S	.	.	H	α-helix	trans	-67.1	-42.2	173.5	0	0	0	0	0	114.5	W51 L53 R59	W51-G55 PolarHBondContact O-N 2.98Å; L53-G55 CarbonylContact O-C 3.58Å; L53-G55 PolarHBondContact O-N 3.13Å; G55-R59 VanDerWaalsContact C-CZ 3.44Å; G55-R59 VanDerWaalsContact O-CB 3.31Å; G55-R59 WeakPolarHBondContact O-CB 3.48Å; G55-R59 WeakPolarHBondContact O-CG 3.37Å; G55-R59 PolarHBondContact O-N 3.45Å; G55-R59 PolarHBondContact O-NE 3.44Å; G55-R59 PolarHBondContact O-NH1 2.78Å
56	A	53.4	Low	48.7	Very low	9 Å²	9	60 Å²	60	7%	0.074	28%	0.277	C	S	.	.	H	α-helix	trans	-71.6	-38.5	175.7	0	0	0	0	0	112.1	A52 L53 T60	A52-A56 PolarHBondContact O-N 3.39Å; L53-A56 CarbonylContact O-C 3.37Å; L53-A56 WeakPolarHBondContact O-CA 3.23Å; L53-A56 PolarHBondContact O-N 2.96Å; A56-T60 WeakPolarHBondContact O-CB 3.26Å; A56-T60 PolarHBondContact O-N 3.27Å; A56-T60 PolarHBondContact O-OG1 3.35Å
57	E	58.7	Low	49.4	Very low	18 Å²	18	56.2 Å²	56.2	8%	0.084	27%	0.268	C	S	.	.	H	α-helix	trans	-61.4	-51.9	172.5	-57.1	-165.1	153.8	0	0	110.5	Q32 L53 R59 T60 I61 R119	Q32-E57 HydrophobicContact CG-CG 4.44Å; Q32-E57 PolarHBondContact NE2-OE1 3.4Å; L53-E57 WeakPolarHBondContact O-CG 3.4Å; L53-E57 PolarHBondContact O-N 3.08Å; E57-R59 PolarHBondContact O-N 2.82Å; E57-T60 WeakPolarHBondContact O-CB 3.39Å; E57-T60 PolarHBondContact O-N 3.39Å; E57-T60 VanDerWaalsContact O-N 3.08Å; E57-I61 WeakPolarHBondContact O-CG1 3.48Å; E57-I61 PolarHBondContact O-N 2.88Å; E57-R119 IonicContact OE2-NH1 2.76Å; E57-R119 PolarHBondContact OE2-NH1 3.22Å
58	Y	56.7	Low	50.8	Low	121 Å²	121	53.2 Å²	53.2	48%	0.475	26%	0.262	S	S	.	.	H	α-helix	trans	-58.6	-47.2	177.7	-178.3	-90.1	0	0	0	111.4	D54 T60 I61 Q62 L123	D54-Y58 WeakPolarHBondContact O-CB 3.44Å; D54-Y58 PolarHBondContact O-N 2.95Å; Y58-T60 PolarHBondContact O-N 3.29Å; Y58-I61 PolarHBondContact O-N 3.14Å; Y58-Q62 WeakPolarHBondContact O-CB 3.2Å; Y58-Q62 PolarHBondContact O-N 3.37Å; Y58-L123 HydrophobicContact CD2-CD1 4.07Å; Y58-L123 HydrophobicContact CE2-CD1 3.84Å; Y58-L123 HydrophobicContact CE2-CD2 3.85Å; Y58-L123 HydrophobicContact CE2-CG 4.41Å
59	R	57.7	Low	52.7	Low	111 Å²	111	46.4 Å²	46.4	42%	0.419	23%	0.233	S	C	.	.	H	α-helix	trans	-62.7	-32	176.7	-76.4	-175.5	-65	-90	4.9	112.4	G55 E57 A63 F312	G55-R59 VanDerWaalsContact C-CZ 3.44Å; G55-R59 VanDerWaalsContact O-CB 3.31Å; G55-R59 WeakPolarHBondContact O-CB 3.48Å; G55-R59 WeakPolarHBondContact O-CG 3.37Å; G55-R59 PolarHBondContact O-N 3.45Å; G55-R59 PolarHBondContact O-NE 3.44Å; G55-R59 PolarHBondContact O-NH1 2.78Å; E57-R59 PolarHBondContact O-N 2.82Å; R59-A63 VanDerWaalsContact O-CB 3.29Å; R59-A63 WeakPolarHBondContact O-CB 3.43Å; R59-A63 PolarHBondContact O-N 3.38Å; R59-F312 HydrophobicContact CB-CE1 3.65Å; R59-F312 HydrophobicContact CB-CZ 4.02Å
60	T	58.1	Low	54.4	Low	2 Å²	2	43.1 Å²	43.1	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-74.1	-47.6	177.1	-60.2	0	0	0	0	111.8	L28 A56 E57 Y58 Q62 A63 N64 I303	L28-T60 HydrophobicContact CD1-CG2 3.57Å; L28-T60 HydrophobicContact CD2-CG2 3.36Å; L28-T60 HydrophobicContact CG-CG2 4.1Å; A56-T60 WeakPolarHBondContact O-CB 3.26Å; A56-T60 PolarHBondContact O-N 3.27Å; A56-T60 PolarHBondContact O-OG1 3.35Å; E57-T60 WeakPolarHBondContact O-CB 3.39Å; E57-T60 PolarHBondContact O-N 3.39Å; E57-T60 VanDerWaalsContact O-N 3.08Å; Y58-T60 PolarHBondContact O-N 3.29Å; T60-Q62 VanDerWaalsContact C-N 3.26Å; T60-Q62 PolarHBondContact O-N 3.26Å; T60-A63 WeakPolarHBondContact O-CB 3.49Å; T60-A63 PolarHBondContact O-N 3.13Å; T60-A63 VanDerWaalsContact O-N 3.15Å; T60-N64 PolarHBondContact O-N 2.99Å; T60-N64 PolarHBondContact O-ND2 2.92Å; T60-N64 VanDerWaalsContact O-ND2 3.15Å; T60-I303 HydrophobicContact CG2-CD1 3.82Å; T60-I303 HydrophobicContact CG2-CG2 4.4Å
61	I	58.8	Low	56.3	Low	11 Å²	11	40.6 Å²	40.6	6%	0.056	21%	0.208	C	C	.	.	H	α-helix	trans	-59.7	-42.4	173.9	-63.9	169.4	0	0	0	109.6	E57 Y58 A63 N64 C65 L116 R119 A120 L123	E57-I61 WeakPolarHBondContact O-CG1 3.48Å; E57-I61 PolarHBondContact O-N 2.88Å; Y58-I61 PolarHBondContact O-N 3.14Å; I61-A63 PolarHBondContact O-N 2.89Å; I61-N64 PolarHBondContact O-N 2.91Å; I61-N64 VanDerWaalsContact O-N 3.15Å; I61-C65 HydrophobicContact CG2-CB 4.39Å; I61-C65 WeakPolarHBondContact O-CB 3.41Å; I61-C65 PolarHBondContact O-N 2.9Å; I61-L116 HydrophobicContact CD1-CD2 4.21Å; I61-R119 HydrophobicContact CD1-CB 4.06Å; I61-A120 HydrophobicContact CG2-CB 3.86Å; I61-L123 HydrophobicContact CB-CD1 4.11Å; I61-L123 HydrophobicContact CG2-CB 4.38Å; I61-L123 HydrophobicContact CG2-CD1 3.52Å
62	Q	56.8	Low	58.4	Low	70 Å²	70	31.3 Å²	31.3	33%	0.327	17%	0.173	S	C	.	.	H	α-helix	trans	-61.2	-43.9	175.1	-172.8	179.6	6.9	0	0	111.8	Y58 T60 N64 T66	Y58-Q62 WeakPolarHBondContact O-CB 3.2Å; Y58-Q62 PolarHBondContact O-N 3.37Å; T60-Q62 VanDerWaalsContact C-N 3.26Å; T60-Q62 PolarHBondContact O-N 3.26Å; Q62-N64 PolarHBondContact O-N 3.43Å; Q62-T66 HydrophobicContact CB-CG2 4.39Å; Q62-T66 HydrophobicContact CG-CG2 3.9Å; Q62-T66 PolarHBondContact O-N 2.98Å; Q62-T66 PolarHBondContact O-OG1 3.45Å
63	A	54.5	Low	60.5	Low	8 Å²	8	31.4 Å²	31.4	7%	0.066	17%	0.171	C	C	.	.	H	α-helix	trans	-62.1	-30.9	176.5	0	0	0	0	0	112.6	R59 T60 I61 G69 I70 F318	R59-A63 VanDerWaalsContact O-CB 3.29Å; R59-A63 WeakPolarHBondContact O-CB 3.43Å; R59-A63 PolarHBondContact O-N 3.38Å; T60-A63 WeakPolarHBondContact O-CB 3.49Å; T60-A63 PolarHBondContact O-N 3.13Å; T60-A63 VanDerWaalsContact O-N 3.15Å; I61-A63 PolarHBondContact O-N 2.89Å; A63-G69 CarbonylContact O-C 3.55Å; A63-G69 WeakPolarHBondContact O-CA 3.36Å; A63-I70 PolarHBondContact O-N 3.45Å; A63-F318 HydrophobicContact CB-CE2 4.24Å; A63-F318 HydrophobicContact CB-CZ 4.04Å; A63-F318 WeakPolarHBondContact O-CZ 3.46Å
64	N	58.7	Low	62.3	Low	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-89.2	-44.9	-177.9	-71.8	-41.1	0	0	0	113.7	L25 T60 I61 Q62 I70 G71 Y72 F318	L25-N64 HydrophobicContact CD1-CB 4.23Å; T60-N64 PolarHBondContact O-N 2.99Å; T60-N64 PolarHBondContact O-ND2 2.92Å; T60-N64 VanDerWaalsContact O-ND2 3.15Å; I61-N64 PolarHBondContact O-N 2.91Å; I61-N64 VanDerWaalsContact O-N 3.15Å; Q62-N64 PolarHBondContact O-N 3.43Å; N64-I70 CarbonylContact O-C 3.46Å; N64-G71 PolarHBondContact O-N 2.9Å; N64-Y72 HydrophobicContact CB-CD2 3.96Å; N64-Y72 HydrophobicContact CB-CE2 4.41Å; N64-Y72 PolarHBondContact O-N 3.11Å; N64-F318 VanDerWaalsContact OD1-CE2 3.31Å; N64-F318 WeakPolarHBondContact OD1-CE2 3.28Å
65	C	55.3	Low	63.6	Low	6 Å²	6	28.5 Å²	28.5	4%	0.041	16%	0.155	C	C	.	.	H	α-helix	trans	-107.1	-16.9	-160.1	-62.3	0	0	0	0	115.2	I61 A124	I61-C65 HydrophobicContact CG2-CB 4.39Å; I61-C65 WeakPolarHBondContact O-CB 3.41Å; I61-C65 PolarHBondContact O-N 2.9Å; C65-A124 HydrophobicContact CB-CB 4.42Å; C65-A124 WeakPolarHBondContact O-CA 3.45Å
66	T	58.8	Low	65.1	Low	12 Å²	12	29.5 Å²	29.5	7%	0.074	15%	0.154	C	C	.	.	S	Bend	trans	-93.3	166.9	-175.1	70.1	0	0	0	0	113.2	Q62 T68 G69 L123	Q62-T66 HydrophobicContact CB-CG2 4.39Å; Q62-T66 HydrophobicContact CG-CG2 3.9Å; Q62-T66 PolarHBondContact O-N 2.98Å; Q62-T66 PolarHBondContact O-OG1 3.45Å; T66-T68 PolarHBondContact O-N 3.38Å; T66-T68 PolarHBondContact OG1-N 3.45Å; T66-T68 PolarHBondContact OG1-OG1 2.95Å; T66-G69 CarbonylContact O-C 3.05Å; T66-G69 WeakPolarHBondContact O-CA 3.4Å; T66-G69 PolarHBondContact O-N 3.1Å; T66-G69 PolarHBondContact OG1-N 3.23Å; T66-L123 HydrophobicContact CG2-CB 3.98Å; T66-L123 WeakPolarHBondContact CG2-O 3.31Å
67	G	55.5	Low	66.9	Low	35 Å²	35	29 Å²	29	36%	0.361	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.7	171.6	0	0	0	0	0	114	K326	G67-K326 PolarHBondContact O-NZ 2.82Å
68	T	62.2	Low	68.5	Low	114 Å²	114	28.4 Å²	28.4	70%	0.699	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-16.9	170.9	60	0	0	0	0	112.7	T66	T66-T68 PolarHBondContact O-N 3.38Å; T66-T68 PolarHBondContact OG1-N 3.45Å; T66-T68 PolarHBondContact OG1-OG1 2.95Å
69	G	71.4	Confident	70.4	Confident	8 Å²	8	22.7 Å²	22.7	8%	0.082	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-149.9	174.7	0	0	0	0	0	113.6	A63 T66 K326	A63-G69 CarbonylContact O-C 3.55Å; A63-G69 WeakPolarHBondContact O-CA 3.36Å; T66-G69 CarbonylContact O-C 3.05Å; T66-G69 WeakPolarHBondContact O-CA 3.4Å; T66-G69 PolarHBondContact O-N 3.1Å; T66-G69 PolarHBondContact OG1-N 3.23Å; G69-K326 PolarHBondContact O-NZ 3.38Å
70	I	74.1	Confident	72.2	Confident	11 Å²	11	17.6 Å²	17.6	6%	0.056	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	2.8	177.6	60.4	175	0	0	0	114.3	A63 N64 Y72 F318 S325 K326	A63-I70 PolarHBondContact O-N 3.45Å; N64-I70 CarbonylContact O-C 3.46Å; I70-Y72 HydrophobicContact CD1-CD1 3.93Å; I70-Y72 HydrophobicContact CD1-CE1 3.27Å; I70-Y72 HydrophobicContact CD1-CE2 4.05Å; I70-Y72 WeakPolarHBondContact CD1-OH 3.4Å; I70-Y72 HydrophobicContact CG1-CD1 3.9Å; I70-Y72 HydrophobicContact CG1-CE1 3.78Å; I70-Y72 HydrophobicContact CG1-CG 4.45Å; I70-Y72 PolarHBondContact O-N 2.85Å; I70-F318 HydrophobicContact CB-CZ 4.42Å; I70-F318 HydrophobicContact CD1-CD2 3.79Å; I70-F318 HydrophobicContact CD1-CE1 4.43Å; I70-F318 HydrophobicContact CD1-CE2 3.51Å; I70-F318 HydrophobicContact CD1-CG 4.37Å; I70-F318 HydrophobicContact CD1-CZ 3.85Å; I70-F318 HydrophobicContact CG1-CE2 3.99Å; I70-F318 HydrophobicContact CG1-CZ 3.98Å; I70-F318 HydrophobicContact CG2-CD1 4.43Å; I70-F318 HydrophobicContact CG2-CE1 3.66Å; I70-F318 HydrophobicContact CG2-CE2 4.4Å; I70-F318 HydrophobicContact CG2-CZ 3.65Å; I70-S325 CarbonylContact O-C 3.57Å; I70-S325 WeakPolarHBondContact O-CB 3.34Å; I70-S325 PolarHBondContact O-OG 3.01Å; I70-S325 VanDerWaalsContact O-OG 3.05Å; I70-K326 WeakPolarHBondContact O-CA 3.45Å; I70-K326 PolarHBondContact O-N 2.83Å
71	G	76	Confident	73.6	Confident	6 Å²	6	17.5 Å²	17.5	6%	0.062	11%	0.106	C	C	.	.			trans	65.9	36.8	166.4	0	0	0	0	0	115.7	N64 R126	N64-G71 PolarHBondContact O-N 2.9Å; G71-R126 PolarHBondContact O-NH1 3.29Å; G71-R126 VanDerWaalsContact O-NH1 3.17Å
72	Y	75.2	Confident	74.9	Confident	9 Å²	9	17 Å²	17	4%	0.035	10%	0.104	C	C	.	.			trans	-56.3	138.6	173.7	-77	-2.2	0	0	0	112.6	A22 S24 N64 I70 L321 S325	A22-Y72 HydrophobicContact CB-CD2 3.37Å; A22-Y72 HydrophobicContact CB-CE2 3.42Å; A22-Y72 VanDerWaalsContact CB-CE2 3.42Å; A22-Y72 HydrophobicContact CB-CG 4.06Å; S24-Y72 WeakPolarHBondContact OG-CE2 3.27Å; N64-Y72 HydrophobicContact CB-CD2 3.96Å; N64-Y72 HydrophobicContact CB-CE2 4.41Å; N64-Y72 PolarHBondContact O-N 3.11Å; I70-Y72 HydrophobicContact CD1-CD1 3.93Å; I70-Y72 HydrophobicContact CD1-CE1 3.27Å; I70-Y72 HydrophobicContact CD1-CE2 4.05Å; I70-Y72 WeakPolarHBondContact CD1-OH 3.4Å; I70-Y72 HydrophobicContact CG1-CD1 3.9Å; I70-Y72 HydrophobicContact CG1-CE1 3.78Å; I70-Y72 HydrophobicContact CG1-CG 4.45Å; I70-Y72 PolarHBondContact O-N 2.85Å; Y72-L321 HydrophobicContact CE1-CB 4.46Å; Y72-L321 VanDerWaalsContact OH-CD1 3.29Å; Y72-L321 WeakPolarHBondContact OH-CD1 3.31Å; Y72-S325 WeakPolarHBondContact CE1-OG 3.09Å
73	N	78.7	Confident	75.8	Confident	23 Å²	23	15.8 Å²	15.8	12%	0.123	10%	0.1	C	C	.	.			trans	-130.6	13.5	-179.2	73.6	-35.7	0	0	0	113.5	V128 S129	N73-V128 CarbonylContact O-C 3.6Å; N73-V128 WeakPolarHBondContact O-CA 3.09Å; N73-S129 PolarHBondContact O-N 2.91Å
74	I	80.6	Confident	76.9	Confident	4 Å²	4	18.7 Å²	18.7	2%	0.021	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134.9	171.8	-61.9	-175.8	0	0	0	109.2	A22 S129 W184	A22-I74 WeakPolarHBondContact CB-O 3.37Å; I74-S129 VanDerWaalsContact CA-O 3.27Å; I74-S129 WeakPolarHBondContact CA-O 3.39Å; I74-W184 HydrophobicContact CD1-CZ3 4.28Å
75	I	81.9	Confident	77.8	Confident	3 Å²	3	19.8 Å²	19.8	2%	0.015	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.9	170.5	-56.9	179.4	0	0	0	108.4	L25 L29 V77 I117 A120 V128 S129 L130 L131	L25-I75 HydrophobicContact CD2-CB 4.22Å; L25-I75 HydrophobicContact CD2-CD1 3.55Å; L25-I75 HydrophobicContact CD2-CG1 3.54Å; L25-I75 HydrophobicContact CD2-CG2 3.8Å; L29-I75 HydrophobicContact CD1-CG2 4.24Å; I75-V77 HydrophobicContact CG2-CG2 4.01Å; I75-I117 HydrophobicContact CD1-CG2 4.49Å; I75-I117 HydrophobicContact CG2-CG1 4.42Å; I75-A120 HydrophobicContact CD1-CB 3.92Å; I75-V128 HydrophobicContact CD1-CG1 3.8Å; I75-V128 HydrophobicContact CG1-CG1 3.67Å; I75-S129 PolarHBondContact N-O 3.34Å; I75-L130 HydrophobicContact CB-CD2 3.76Å; I75-L130 HydrophobicContact CD1-CD2 4.13Å; I75-L130 HydrophobicContact CG1-CD2 4.27Å; I75-L130 HydrophobicContact CG2-CD2 4.41Å; I75-L130 WeakPolarHBondContact O-CA 3.49Å; I75-L131 PolarHBondContact O-N 3.5Å
76	W	85.1	Confident	78.9	Confident	38 Å²	38	23.1 Å²	23.1	14%	0.144	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.3	174.8	-176.9	48.6	0	0	0	110.6	T26 L131 S133 W135	T26-W76 HydrophobicContact CG2-CE3 3.9Å; T26-W76 HydrophobicContact CG2-CZ3 4.41Å; T26-W76 WeakPolarHBondContact OG1-CB 3.25Å; T26-W76 PolarHBondContact OG1-O 3.25Å; W76-L131 CarbonylContact C-O 3.55Å; W76-L131 WeakPolarHBondContact CA-O 3.27Å; W76-S133 PolarHBondContact NE1-OG 2.95Å; W76-W135 HydrophobicContact CE3-CH2 4.37Å; W76-W135 AromaticContact CH2-CH2 3.1Å; W76-W135 HydrophobicContact CH2-CH2 3.1Å; W76-W135 AromaticContact CH2-CZ2 3.36Å; W76-W135 HydrophobicContact CH2-CZ2 3.36Å; W76-W135 HydrophobicContact CH2-CZ3 4.08Å; W76-W135 AromaticContact CZ2-CH2 3.33Å; W76-W135 HydrophobicContact CZ2-CH2 3.33Å; W76-W135 AromaticContact CZ2-CZ2 3.95Å; W76-W135 HydrophobicContact CZ2-CZ2 3.95Å; W76-W135 AromaticContact CZ2-CZ3 3.85Å; W76-W135 HydrophobicContact CZ2-CZ3 3.85Å; W76-W135 AromaticContact CZ3-CH2 3.66Å; W76-W135 HydrophobicContact CZ3-CH2 3.66Å; W76-W135 AromaticContact CZ3-CZ2 4Å; W76-W135 HydrophobicContact CZ3-CZ2 4Å
77	V	89.9	Confident	80.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	113.8	-171.3	-173.2	0	0	0	0	109.4	I75 M79 I117 L131 A132 S133 Y176 F183	I75-V77 HydrophobicContact CG2-CG2 4.01Å; V77-M79 PolarHBondContact O-N 2.96Å; V77-I117 HydrophobicContact CG1-CD1 4.36Å; V77-I117 HydrophobicContact CG2-CD1 3.76Å; V77-L131 PolarHBondContact N-O 3.44Å; V77-A132 WeakPolarHBondContact O-CA 3.39Å; V77-A132 WeakPolarHBondContact O-CB 3.43Å; V77-S133 PolarHBondContact O-N 3.44Å; V77-Y176 HydrophobicContact CG1-CE1 4.15Å; V77-F183 HydrophobicContact CB-CE1 4.02Å; V77-F183 HydrophobicContact CB-CZ 4.25Å; V77-F183 HydrophobicContact CG1-CZ 4.44Å; V77-F183 HydrophobicContact CG2-CE1 4.1Å; V77-F183 HydrophobicContact CG2-CZ 4.37Å
78	P	92.8	Very high	82	Confident	5 Å²	5	30.1 Å²	30.1	3%	0.032	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	136.1	172.3	-25	34.8	0	0	0	112	T26 L30 A80 K113 W135	T26-P78 VanDerWaalsContact CG2-CD 3.43Å; T26-P78 HydrophobicContact CG2-CG 3.49Å; T26-P78 VanDerWaalsContact CG2-CG 3.49Å; L30-P78 HydrophobicContact CD1-CG 4.26Å; P78-A80 PolarHBondContact O-N 2.99Å; P78-K113 PolarHBondContact O-NZ 3.38Å; P78-W135 HydrophobicContact CB-CE3 3.92Å; P78-W135 HydrophobicContact CB-CH2 3.93Å; P78-W135 HydrophobicContact CB-CZ3 3.32Å; P78-W135 HydrophobicContact CG-CH2 3.68Å; P78-W135 HydrophobicContact CG-CZ3 3.61Å
79	M	97	Very high	83.6	Confident	1 Å²	1	25 Å²	25	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	102.7	166.8	-61.3	168.8	59.7	0	0	107.6	V77 Y91 A132 S133 P134 Y168 F169 F172	V77-M79 PolarHBondContact O-N 2.96Å; M79-Y91 HydrophobicContact CB-CE2 4.2Å; M79-A132 HydrophobicContact CG-CB 3.9Å; M79-A132 HydrophobicContact SD-CB 4.17Å; M79-S133 PolarHBondContact N-O 3.49Å; M79-P134 HydrophobicContact CB-CB 4Å; M79-P134 HydrophobicContact CE-CB 4.45Å; M79-P134 HydrophobicContact SD-CB 4.13Å; M79-P134 HydrophobicContact SD-CG 4.11Å; M79-Y168 HydrophobicContact CE-CD1 4.15Å; M79-Y168 HydrophobicContact CE-CE1 4.17Å; M79-F169 HydrophobicContact CE-CB 4.48Å; M79-F169 HydrophobicContact CE-CD1 3.71Å; M79-F169 HydrophobicContact CE-CD2 4.35Å; M79-F169 HydrophobicContact CE-CE1 3.99Å; M79-F169 HydrophobicContact CE-CG 3.92Å; M79-F169 HydrophobicContact CE-CZ 4.45Å; M79-F169 HydrophobicContact SD-CD1 4.01Å; M79-F169 HydrophobicContact SD-CE1 3.91Å; M79-F172 HydrophobicContact CB-CE2 4.44Å; M79-F172 HydrophobicContact CE-CB 3.99Å; M79-F172 HydrophobicContact CE-CD1 3.92Å; M79-F172 HydrophobicContact CE-CG 3.93Å; M79-F172 HydrophobicContact CG-CD1 3.98Å; M79-F172 HydrophobicContact CG-CD2 4.1Å; M79-F172 HydrophobicContact CG-CE1 3.8Å; M79-F172 HydrophobicContact CG-CE2 3.87Å; M79-F172 HydrophobicContact CG-CG 4.12Å; M79-F172 HydrophobicContact CG-CZ 3.72Å; M79-F172 HydrophobicContact SD-CD1 4.1Å; M79-F172 HydrophobicContact SD-CE1 4.23Å
80	A	95.9	Very high	84.8	Confident	3 Å²	3	25 Å²	25	3%	0.025	13%	0.126	C	C	.	.	S	Bend	trans	65.6	-142.2	-171.5	0	0	0	0	0	114	P78 Y89 Y91	P78-A80 PolarHBondContact O-N 2.99Å; A80-Y89 HydrophobicContact CB-CD2 3.9Å; A80-Y89 HydrophobicContact CB-CE2 3.75Å; A80-Y89 WeakPolarHBondContact CB-O 3.36Å; A80-Y91 HydrophobicContact CB-CD1 4.06Å; A80-Y91 HydrophobicContact CB-CD2 4.34Å; A80-Y91 HydrophobicContact CB-CE1 3.82Å; A80-Y91 HydrophobicContact CB-CE2 4.08Å; A80-Y91 HydrophobicContact CB-CG 4.33Å; A80-Y91 PolarHBondContact N-OH 3.28Å
81	S	87.4	Confident	86	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.007	12%	0.124	C	C	.	.			trans	-83.3	152.3	-172.7	69.6	0	0	0	0	114.5	S85 R87 Y89 Q203	S81-S85 WeakPolarHBondContact CA-OG 3.38Å; S81-R87 WeakPolarHBondContact CB-O 3.34Å; S81-Y89 VanDerWaalsContact CB-CD1 3.5Å; S81-Y89 WeakPolarHBondContact CB-O 3.5Å; S81-Y89 PolarHBondContact N-O 3.36Å; S81-Y89 PolarHBondContact OG-N 3.36Å; S81-Y89 PolarHBondContact OG-O 3.32Å; S81-Q203 PolarHBondContact OG-NE2 3.01Å
82	C	84.4	Confident	87.1	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.007	12%	0.121	C	C	.	.			trans	-137.9	-170.8	169.8	65.5	0	0	0	0	111.3	F84 S85 W135 Q203	C82-F84 PolarHBondContact O-N 3.09Å; C82-S85 PolarHBondContact N-OG 3.29Å; C82-S85 WeakPolarHBondContact O-CB 3.45Å; C82-S85 PolarHBondContact O-N 2.97Å; C82-S85 PolarHBondContact O-OG 3.27Å; C82-W135 HydrophobicContact CB-CB 4.43Å; C82-W135 HydrophobicContact CB-CD2 3.32Å; C82-W135 HydrophobicContact CB-CE3 3.85Å; C82-W135 HydrophobicContact CB-CG 3.62Å; C82-W135 HydrophobicContact CB-CH2 4.16Å; C82-W135 HydrophobicContact CB-CZ2 3.67Å; C82-W135 HydrophobicContact CB-CZ3 4.28Å; C82-Q203 PolarHBondContact O-NE2 2.92Å
83	D	77.2	Confident	88.2	Confident	44 Å²	44	27.6 Å²	27.6	24%	0.235	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-27.1	177.4	59.6	-40.8	0	0	0	114	S85 F202	D83-S85 VanDerWaalsContact C-N 3.27Å; D83-F202 HydrophobicContact CB-CB 3.87Å; D83-F202 HydrophobicContact CB-CD1 3.99Å; D83-F202 HydrophobicContact CB-CD2 3.76Å; D83-F202 HydrophobicContact CB-CE1 4.49Å; D83-F202 HydrophobicContact CB-CE2 4.22Å; D83-F202 HydrophobicContact CB-CG 3.62Å
84	F	77.1	Confident	89.1	Confident	68 Å²	68	29.3 Å²	29.3	30%	0.298	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	3.5	173.7	-68	-89.6	0	0	0	113.3	L30 C82	L30-F84 HydrophobicContact CB-CB 3.78Å; L30-F84 HydrophobicContact CD1-CB 3.53Å; L30-F84 HydrophobicContact CD1-CG 4.4Å; L30-F84 HydrophobicContact CD2-CB 4.27Å; L30-F84 HydrophobicContact CG-CB 4.02Å; C82-F84 PolarHBondContact O-N 3.09Å
85	S	76.9	Confident	89.9	Confident	24 Å²	24	33.8 Å²	33.8	17%	0.168	18%	0.179	C	C	.	.			trans	-87.1	143.1	172.2	-56.8	0	0	0	0	111	S81 C82 D83 R87	S81-S85 WeakPolarHBondContact CA-OG 3.38Å; C82-S85 PolarHBondContact N-OG 3.29Å; C82-S85 WeakPolarHBondContact O-CB 3.45Å; C82-S85 PolarHBondContact O-N 2.97Å; C82-S85 PolarHBondContact O-OG 3.27Å; D83-S85 VanDerWaalsContact C-N 3.27Å; S85-R87 VanDerWaalsContact C-N 3.34Å; S85-R87 WeakPolarHBondContact CB-O 3.45Å
86	I	78.9	Confident	90.7	Very high	75 Å²	75	38.4 Å²	38.4	39%	0.385	20%	0.204	S	C	.	.	S	Bend	trans	-73.6	-21.7	176.3	52	169.5	0	0	0	114.1	V34 A37	V34-I86 HydrophobicContact CB-CG2 4.35Å; V34-I86 HydrophobicContact CG2-CG2 3.77Å; A37-I86 HydrophobicContact CB-CB 4.49Å; A37-I86 HydrophobicContact CB-CD1 2.95Å; A37-I86 HydrophobicContact CB-CG1 4.23Å; A37-I86 HydrophobicContact CB-CG2 4.39Å
87	R	87.8	Confident	91.3	Very high	104 Å²	104	37.3 Å²	37.3	39%	0.392	20%	0.201	S	C	.	.	S	Bend	trans	-137.7	150.9	177.1	83.4	-179.6	172.3	91.1	8.6	109	S81 S85 Y89 P106 E108	S81-R87 WeakPolarHBondContact CB-O 3.34Å; S85-R87 VanDerWaalsContact C-N 3.34Å; S85-R87 WeakPolarHBondContact CB-O 3.45Å; R87-Y89 HydrophobicContact CG-CD1 3.68Å; R87-Y89 HydrophobicContact CG-CE1 4.33Å; R87-Y89 WeakPolarHBondContact O-CD1 3.17Å; R87-P106 VanDerWaalsContact NH2-CB 3.25Å; R87-E108 IonicContact CZ-OE1 2.59Å; R87-E108 IonicContact CZ-OE2 3.95Å; R87-E108 IonicContact NE-OE1 3.21Å; R87-E108 PolarHBondContact NE-OE1 2.94Å; R87-E108 IonicContact NE-OE2 3.02Å; R87-E108 VanDerWaalsContact NH2-CD 3.28Å; R87-E108 IonicContact NH2-OE1 3.92Å; R87-E108 PolarHBondContact NH2-OE1 3.07Å; R87-E108 IonicContact NH2-OE2 3.46Å; R87-E108 PolarHBondContact NH2-OE2 2.9Å
88	T	90.8	Very high	91.7	Very high	90 Å²	90	39.2 Å²	39.2	55%	0.552	21%	0.209	S	C	*	.			trans	-87.7	128.1	174.2	49.2	0	0	0	0	109.3	V147	T88-V147 HydrophobicContact CG2-CG2 4.16Å
89	Y	95.7	Very high	91.9	Very high	7 Å²	7	44.8 Å²	44.8	3%	0.027	24%	0.235	C	C	.	.			trans	-159.6	155.7	179	68.4	-88.2	0	0	0	112.1	A80 S81 R87 Y91 P106 E108	A80-Y89 HydrophobicContact CB-CD2 3.9Å; A80-Y89 HydrophobicContact CB-CE2 3.75Å; A80-Y89 WeakPolarHBondContact CB-O 3.36Å; S81-Y89 VanDerWaalsContact CB-CD1 3.5Å; S81-Y89 WeakPolarHBondContact CB-O 3.5Å; S81-Y89 PolarHBondContact N-O 3.36Å; S81-Y89 PolarHBondContact OG-N 3.36Å; S81-Y89 PolarHBondContact OG-O 3.32Å; R87-Y89 HydrophobicContact CG-CD1 3.68Å; R87-Y89 HydrophobicContact CG-CE1 4.33Å; R87-Y89 WeakPolarHBondContact O-CD1 3.17Å; Y89-Y91 HydrophobicContact CE2-CE1 4.36Å; Y89-P106 HydrophobicContact CD2-CG 3.7Å; Y89-P106 HydrophobicContact CE2-CG 3.42Å; Y89-P106 VanDerWaalsContact CE2-CG 3.42Å; Y89-E108 HydrophobicContact CE1-CB 4.41Å; Y89-E108 HydrophobicContact CE1-CG 3.99Å; Y89-E108 VanDerWaalsContact OH-CB 3.25Å; Y89-E108 WeakPolarHBondContact OH-CB 3.22Å
90	T	98.4	Very high	91.9	Very high	8 Å²	8	45 Å²	45	5%	0.049	24%	0.236	C	C	.	.			trans	-122	179.5	163.7	80.5	0	0	0	0	109.8	A92 D93 T136	T90-A92 VanDerWaalsContact C-N 3.33Å; T90-A92 PolarHBondContact OG1-N 3.42Å; T90-D93 WeakPolarHBondContact CB-OD1 3.48Å; T90-D93 WeakPolarHBondContact CG2-OD1 3.45Å; T90-D93 PolarHBondContact N-OD1 3.31Å; T90-D93 PolarHBondContact N-OD2 3.27Å; T90-D93 VanDerWaalsContact OG1-CG 3.28Å; T90-D93 PolarHBondContact OG1-OD1 3.13Å; T90-T136 HydrophobicContact CG2-CG2 4.25Å
91	Y	98.6	Very high	92	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.016	27%	0.268	C	S	.	.	S	Bend	trans	-82.8	-11.4	175.6	-56.5	-44.9	0	0	0	113	M79 A80 Y89 F103 S104 L105 P106 D109 K113 Y168 F172	M79-Y91 HydrophobicContact CB-CE2 4.2Å; A80-Y91 HydrophobicContact CB-CD1 4.06Å; A80-Y91 HydrophobicContact CB-CD2 4.34Å; A80-Y91 HydrophobicContact CB-CE1 3.82Å; A80-Y91 HydrophobicContact CB-CE2 4.08Å; A80-Y91 HydrophobicContact CB-CG 4.33Å; A80-Y91 PolarHBondContact N-OH 3.28Å; Y89-Y91 HydrophobicContact CE2-CE1 4.36Å; Y91-F103 VanDerWaalsContact CB-CE2 3.41Å; Y91-F103 AromaticContact CD2-CE2 3.86Å; Y91-F103 HydrophobicContact CD2-CE2 3.86Å; Y91-F103 AromaticContact CD2-CZ 3.61Å; Y91-F103 HydrophobicContact CD2-CZ 3.61Å; Y91-F103 HydrophobicContact CG-CE2 4.04Å; Y91-F103 AromaticContact CG-CZ 3.86Å; Y91-F103 HydrophobicContact CG-CZ 3.86Å; Y91-F103 CarbonylContact O-C 3.58Å; Y91-F103 VanDerWaalsContact O-CA 3.26Å; Y91-F103 WeakPolarHBondContact O-CA 3.36Å; Y91-S104 WeakPolarHBondContact CA-O 3.32Å; Y91-S104 WeakPolarHBondContact CB-O 3.46Å; Y91-S104 WeakPolarHBondContact CD1-O 3.36Å; Y91-S104 PolarHBondContact O-N 2.95Å; Y91-L105 HydrophobicContact CD1-CD2 3.88Å; Y91-L105 HydrophobicContact CD2-CD2 4.38Å; Y91-L105 HydrophobicContact CE1-CD2 3.57Å; Y91-L105 HydrophobicContact CE2-CD2 4.14Å; Y91-L105 HydrophobicContact CG-CD2 4.26Å; Y91-P106 HydrophobicContact CE1-CG 4.48Å; Y91-D109 VanDerWaalsContact CE1-OD2 3.3Å; Y91-D109 WeakPolarHBondContact CE1-OD2 3.23Å; Y91-D109 PolarHBondContact OH-OD1 2.91Å; Y91-D109 PolarHBondContact OH-OD2 3Å; Y91-K113 PolarHBondContact OH-NZ 3.29Å; Y91-Y168 VanDerWaalsContact CB-OH 3.32Å; Y91-Y168 WeakPolarHBondContact CB-OH 3.26Å; Y91-Y168 AromaticContact CD2-CE1 3.76Å; Y91-Y168 HydrophobicContact CD2-CE1 3.76Å; Y91-Y168 HydrophobicContact CD2-CE2 4.37Å; Y91-Y168 AromaticContact CD2-CZ 3.48Å; Y91-Y168 VanDerWaalsContact CD2-CZ 3.48Å; Y91-Y168 WeakPolarHBondContact CD2-OH 3.27Å; Y91-Y168 HydrophobicContact CE2-CE1 4.47Å; Y91-Y168 AromaticContact CG-CZ 3.94Å; Y91-Y168 VanDerWaalsContact CG-OH 3.31Å; Y91-Y168 PolarHBondContact N-OH 2.76Å; Y91-F172 HydrophobicContact CD2-CD2 4.3Å; Y91-F172 AromaticContact CE2-CD2 3.47Å; Y91-F172 HydrophobicContact CE2-CD2 3.47Å; Y91-F172 VanDerWaalsContact CE2-CD2 3.47Å; Y91-F172 HydrophobicContact CE2-CE2 4.08Å; Y91-F172 HydrophobicContact CE2-CG 4.37Å
92	A	98.4	Very high	92.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.29	C	S	.	.			trans	-140.6	56.4	-174.1	0	0	0	0	0	111.8	T90 T94 L100 F103 P138 W140 Y168	T90-A92 VanDerWaalsContact C-N 3.33Å; T90-A92 PolarHBondContact OG1-N 3.42Å; A92-T94 PolarHBondContact O-N 3.06Å; A92-L100 HydrophobicContact CB-CD2 3.87Å; A92-F103 HydrophobicContact CB-CD2 4.43Å; A92-P138 HydrophobicContact CB-CG 4.05Å; A92-P138 WeakPolarHBondContact O-CB 3.48Å; A92-W140 PolarHBondContact O-NE1 2.94Å; A92-Y168 HydrophobicContact CB-CD2 4.22Å; A92-Y168 HydrophobicContact CB-CE2 3.98Å
93	D	98.1	Very high	93.2	Very high	76 Å²	76	57.4 Å²	57.4	41%	0.406	30%	0.295	S	S	.	.			trans	-75.1	-7.3	-177	-71.6	-36.2	0	0	0	114.1	T90 P95	T90-D93 WeakPolarHBondContact CB-OD1 3.48Å; T90-D93 WeakPolarHBondContact CG2-OD1 3.45Å; T90-D93 PolarHBondContact N-OD1 3.31Å; T90-D93 PolarHBondContact N-OD2 3.27Å; T90-D93 VanDerWaalsContact OG1-CG 3.28Å; T90-D93 PolarHBondContact OG1-OD1 3.13Å; D93-P95 WeakPolarHBondContact O-CD 3.43Å
94	T	98.3	Very high	94.2	Very high	60 Å²	60	58.7 Å²	58.7	37%	0.368	31%	0.308	S	S	.	.	S	Bend	trans	-64.6	120.7	171.8	-60.7	0	0	0	0	109.8	A92 D97 N102 W140	A92-T94 PolarHBondContact O-N 3.06Å; T94-D97 HydrophobicContact CG2-CB 4.48Å; T94-N102 HydrophobicContact CG2-CB 4.47Å; T94-N102 WeakPolarHBondContact OG1-CB 3.43Å; T94-N102 PolarHBondContact OG1-ND2 3.45Å; T94-W140 PolarHBondContact O-NE1 3.35Å
95	P	98	Very high	95.2	Very high	97 Å²	97	56.7 Å²	56.7	63%	0.63	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	141.3	-176.1	-25.9	35.1	0	0	0	113.4	D93 D97	D93-P95 WeakPolarHBondContact O-CD 3.43Å; P95-D97 PolarHBondContact O-N 2.83Å; P95-D97 VanDerWaalsContact O-N 3.12Å
96	D	97.3	Very high	96	Very high	101 Å²	101	56.9 Å²	56.9	54%	0.54	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	23.2	174.5	-57	-38.4	0	0	0	115.1	F98	D96-F98 HydrophobicContact CB-CD2 4.43Å; D96-F98 HydrophobicContact CB-CE2 3.97Å; D96-F98 WeakPolarHBondContact O-CD2 3.47Å; D96-F98 PolarHBondContact O-N 2.68Å
97	D	97.9	Very high	96.5	Very high	15 Å²	15	58.2 Å²	58.2	8%	0.08	31%	0.305	C	S	.	.			trans	-77.7	65.6	174.2	-178	21.6	0	0	0	111.9	T94 P95 Q99 L100 H101 N102 W140	T94-D97 HydrophobicContact CG2-CB 4.48Å; P95-D97 PolarHBondContact O-N 2.83Å; P95-D97 VanDerWaalsContact O-N 3.12Å; D97-Q99 PolarHBondContact O-N 2.91Å; D97-Q99 VanDerWaalsContact O-N 3.15Å; D97-L100 PolarHBondContact O-N 3.42Å; D97-L100 PolarHBondContact OD1-N 3.4Å; D97-L100 VanDerWaalsContact OD2-C 3.3Å; D97-L100 VanDerWaalsContact OD2-CA 3.26Å; D97-L100 WeakPolarHBondContact OD2-CA 3.46Å; D97-H101 PolarHBondContact OD1-N 2.77Å; D97-H101 PolarHBondContact OD2-N 3.32Å; D97-N102 WeakPolarHBondContact OD2-CB 3.49Å; D97-N102 PolarHBondContact OD2-N 3.15Å; D97-W140 VanDerWaalsContact C-CH2 3.4Å; D97-W140 HydrophobicContact CB-CZ2 4.32Å; D97-W140 VanDerWaalsContact O-CH2 3.23Å; D97-W140 WeakPolarHBondContact O-CH2 3.47Å
98	F	98.1	Very high	96.5	Very high	40 Å²	40	54.4 Å²	54.4	18%	0.175	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-21	179.1	-65.8	-78.2	0	0	0	113.6	D96 L100 W140 L141 I160 Y161 T164 R167	D96-F98 HydrophobicContact CB-CD2 4.43Å; D96-F98 HydrophobicContact CB-CE2 3.97Å; D96-F98 WeakPolarHBondContact O-CD2 3.47Å; D96-F98 PolarHBondContact O-N 2.68Å; F98-L100 VanDerWaalsContact C-N 3.35Å; F98-W140 HydrophobicContact CD1-CH2 4.41Å; F98-W140 AromaticContact CD1-CZ3 3.66Å; F98-W140 HydrophobicContact CD1-CZ3 3.66Å; F98-W140 HydrophobicContact CD2-CZ3 4.47Å; F98-W140 HydrophobicContact CE1-CE3 4.25Å; F98-W140 AromaticContact CE1-CZ3 3.68Å; F98-W140 HydrophobicContact CE1-CZ3 3.68Å; F98-W140 HydrophobicContact CE2-CZ3 4.47Å; F98-W140 HydrophobicContact CG-CZ3 4.08Å; F98-W140 HydrophobicContact CZ-CE3 4.32Å; F98-W140 HydrophobicContact CZ-CZ3 4.09Å; F98-L141 HydrophobicContact CE1-CD2 4.21Å; F98-I160 HydrophobicContact CB-CD1 4Å; F98-I160 HydrophobicContact CB-CG1 4.35Å; F98-I160 HydrophobicContact CD1-CD1 3.75Å; F98-I160 HydrophobicContact CD1-CG1 3.68Å; F98-I160 HydrophobicContact CD1-CG2 4.49Å; F98-I160 HydrophobicContact CD2-CD1 4.27Å; F98-I160 HydrophobicContact CE1-CD1 4.27Å; F98-I160 HydrophobicContact CE1-CG1 4.23Å; F98-I160 HydrophobicContact CE1-CG2 4.19Å; F98-I160 HydrophobicContact CG-CD1 3.74Å; F98-I160 HydrophobicContact CG-CG1 4.13Å; F98-Y161 AromaticContact CE1-CD1 3.72Å; F98-Y161 HydrophobicContact CE1-CD1 3.72Å; F98-Y161 AromaticContact CE1-CE1 3.66Å; F98-Y161 HydrophobicContact CE1-CE1 3.66Å; F98-Y161 HydrophobicContact CZ-CD1 4.27Å; F98-Y161 AromaticContact CZ-CE1 3.72Å; F98-Y161 HydrophobicContact CZ-CE1 3.72Å; F98-T164 HydrophobicContact CD1-CG2 4.48Å; F98-T164 PolarHBondContact O-OG1 3.12Å; F98-R167 PolarHBondContact O-NH2 3.36Å
99	Q	97.4	Very high	96.5	Very high	122 Å²	122	50.1 Å²	50.1	57%	0.57	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-9.4	176.7	-61.3	-58.3	-29.2	0	0	112.9	D97 H101	D97-Q99 PolarHBondContact O-N 2.91Å; D97-Q99 VanDerWaalsContact O-N 3.15Å; Q99-H101 WeakPolarHBondContact CB-NE2 3.4Å; Q99-H101 PolarHBondContact O-N 3.39Å
100	L	98.2	Very high	96.3	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.021	28%	0.279	C	S	.	.			trans	56.1	38.8	-178	-56.9	175	0	0	0	111.8	A92 D97 F98 N102 F103 T164 R167 Y168 K171	A92-L100 HydrophobicContact CB-CD2 3.87Å; D97-L100 PolarHBondContact O-N 3.42Å; D97-L100 PolarHBondContact OD1-N 3.4Å; D97-L100 VanDerWaalsContact OD2-C 3.3Å; D97-L100 VanDerWaalsContact OD2-CA 3.26Å; D97-L100 WeakPolarHBondContact OD2-CA 3.46Å; F98-L100 VanDerWaalsContact C-N 3.35Å; L100-N102 VanDerWaalsContact C-N 3.3Å; L100-F103 HydrophobicContact CB-CB 4.14Å; L100-F103 WeakPolarHBondContact O-CB 3.24Å; L100-F103 PolarHBondContact O-N 3.36Å; L100-T164 HydrophobicContact CD1-CG2 4.42Å; L100-T164 HydrophobicContact CD2-CG2 3.99Å; L100-T164 HydrophobicContact CG-CG2 4.14Å; L100-R167 HydrophobicContact CD1-CB 3.87Å; L100-Y168 HydrophobicContact CD2-CD2 4.3Å; L100-K171 HydrophobicContact CB-CG 4.38Å; L100-K171 HydrophobicContact CD1-CG 4.05Å
101	H	97.7	Very high	95.6	Very high	153 Å²	153	56.6 Å²	56.6	71%	0.708	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-31.7	176	-70.6	164.8	0	0	0	112	D97 Q99 F103	D97-H101 PolarHBondContact OD1-N 2.77Å; D97-H101 PolarHBondContact OD2-N 3.32Å; Q99-H101 WeakPolarHBondContact CB-NE2 3.4Å; Q99-H101 PolarHBondContact O-N 3.39Å; H101-F103 VanDerWaalsContact C-N 3.3Å
102	N	97.6	Very high	94.8	Very high	85 Å²	85	57.3 Å²	57.3	46%	0.455	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	10.2	-179.6	-65.2	62.2	0	0	0	111.8	T94 D97 L100 S104	T94-N102 HydrophobicContact CG2-CB 4.47Å; T94-N102 WeakPolarHBondContact OG1-CB 3.43Å; T94-N102 PolarHBondContact OG1-ND2 3.45Å; D97-N102 WeakPolarHBondContact OD2-CB 3.49Å; D97-N102 PolarHBondContact OD2-N 3.15Å; L100-N102 VanDerWaalsContact C-N 3.3Å; N102-S104 PolarHBondContact O-N 3.28Å
103	F	98.7	Very high	94	Very high	28 Å²	28	58 Å²	58	12%	0.123	30%	0.304	C	S	.	.			trans	-61.7	123.2	174.5	-175.3	-78.5	0	0	0	110.4	Y91 A92 L100 H101 Y168 K171 F172 A175	Y91-F103 VanDerWaalsContact CB-CE2 3.41Å; Y91-F103 AromaticContact CD2-CE2 3.86Å; Y91-F103 HydrophobicContact CD2-CE2 3.86Å; Y91-F103 AromaticContact CD2-CZ 3.61Å; Y91-F103 HydrophobicContact CD2-CZ 3.61Å; Y91-F103 HydrophobicContact CG-CE2 4.04Å; Y91-F103 AromaticContact CG-CZ 3.86Å; Y91-F103 HydrophobicContact CG-CZ 3.86Å; Y91-F103 CarbonylContact O-C 3.58Å; Y91-F103 VanDerWaalsContact O-CA 3.26Å; Y91-F103 WeakPolarHBondContact O-CA 3.36Å; A92-F103 HydrophobicContact CB-CD2 4.43Å; L100-F103 HydrophobicContact CB-CB 4.14Å; L100-F103 WeakPolarHBondContact O-CB 3.24Å; L100-F103 PolarHBondContact O-N 3.36Å; H101-F103 VanDerWaalsContact C-N 3.3Å; F103-Y168 AromaticContact CD2-CD2 3.83Å; F103-Y168 HydrophobicContact CD2-CD2 3.83Å; F103-Y168 AromaticContact CD2-CE2 3.96Å; F103-Y168 HydrophobicContact CD2-CE2 3.96Å; F103-Y168 HydrophobicContact CD2-CG 4.45Å; F103-Y168 HydrophobicContact CE2-CD1 4.24Å; F103-Y168 AromaticContact CE2-CD2 3.68Å; F103-Y168 HydrophobicContact CE2-CD2 3.68Å; F103-Y168 HydrophobicContact CE2-CE1 4.23Å; F103-Y168 AromaticContact CE2-CE2 3.68Å; F103-Y168 HydrophobicContact CE2-CE2 3.68Å; F103-Y168 AromaticContact CE2-CG 3.98Å; F103-Y168 HydrophobicContact CE2-CG 3.98Å; F103-Y168 AromaticContact CE2-CZ 3.98Å; F103-K171 HydrophobicContact CD1-CB 3.83Å; F103-K171 HydrophobicContact CD2-CB 3.71Å; F103-K171 HydrophobicContact CD2-CG 4.4Å; F103-K171 HydrophobicContact CE1-CB 3.84Å; F103-K171 WeakPolarHBondContact CE1-O 3.47Å; F103-K171 HydrophobicContact CE2-CB 3.68Å; F103-K171 HydrophobicContact CG-CB 3.79Å; F103-K171 HydrophobicContact CG-CG 4.31Å; F103-K171 HydrophobicContact CZ-CB 3.78Å; F103-F172 HydrophobicContact CZ-CB 4.02Å; F103-A175 HydrophobicContact CE1-CB 4.14Å
104	S	98.3	Very high	93.6	Very high	72 Å²	72	54.6 Å²	54.6	50%	0.503	29%	0.286	S	S	.	.			trans	-153.5	151.8	176.2	58.3	0	0	0	0	112.9	Y91 N102	Y91-S104 WeakPolarHBondContact CA-O 3.32Å; Y91-S104 WeakPolarHBondContact CB-O 3.46Å; Y91-S104 WeakPolarHBondContact CD1-O 3.36Å; Y91-S104 PolarHBondContact O-N 2.95Å; N102-S104 PolarHBondContact O-N 3.28Å
105	L	98	Very high	93	Very high	26 Å²	26	54 Å²	54	14%	0.136	28%	0.283	C	S	.	.			trans	-84.6	122.6	171.7	-64.2	-175.5	0	0	0	109.7	Y91 D109 T110 I114 A175 Y176	Y91-L105 HydrophobicContact CD1-CD2 3.88Å; Y91-L105 HydrophobicContact CD2-CD2 4.38Å; Y91-L105 HydrophobicContact CE1-CD2 3.57Å; Y91-L105 HydrophobicContact CE2-CD2 4.14Å; Y91-L105 HydrophobicContact CG-CD2 4.26Å; L105-D109 HydrophobicContact CB-CB 3.93Å; L105-D109 HydrophobicContact CD1-CB 4.4Å; L105-D109 HydrophobicContact CD2-CB 4.33Å; L105-D109 HydrophobicContact CG-CB 4.45Å; L105-T110 HydrophobicContact CB-CG2 3.84Å; L105-I114 HydrophobicContact CD1-CD1 3.93Å; L105-A175 HydrophobicContact CD1-CB 3.66Å; L105-A175 HydrophobicContact CD2-CB 4.26Å; L105-A175 HydrophobicContact CG-CB 3.77Å; L105-Y176 HydrophobicContact CD1-CD2 3.82Å; L105-Y176 HydrophobicContact CD1-CE2 3.85Å; L105-Y176 HydrophobicContact CD2-CD2 4.28Å; L105-Y176 HydrophobicContact CD2-CE2 3.94Å
106	P	93.4	Very high	92.2	Very high	27 Å²	27	49.9 Å²	49.9	18%	0.175	26%	0.256	C	S	.	.			trans	-77.6	-177.1	176.8	34.1	-36.2	0	0	0	112	R87 Y89 Y91 E108 D109 T110	R87-P106 VanDerWaalsContact NH2-CB 3.25Å; Y89-P106 HydrophobicContact CD2-CG 3.7Å; Y89-P106 HydrophobicContact CE2-CG 3.42Å; Y89-P106 VanDerWaalsContact CE2-CG 3.42Å; Y91-P106 HydrophobicContact CE1-CG 4.48Å; P106-E108 VanDerWaalsContact C-N 3.26Å; P106-E108 WeakPolarHBondContact CB-OE2 3.26Å; P106-E108 PolarHBondContact O-N 2.91Å; P106-D109 PolarHBondContact O-N 3.36Å; P106-T110 PolarHBondContact O-N 3.49Å; P106-T110 PolarHBondContact O-OG1 2.99Å; P106-T110 VanDerWaalsContact O-OG1 3.13Å
107	E	90.3	Very high	91.6	Very high	103 Å²	103	45.1 Å²	45.1	48%	0.481	23%	0.231	S	C	.	.	H	α-helix	trans	-62.8	-29.9	-177.6	-56.9	-159.7	163.2	0	0	113.5	D109 T110 K111 L112	E107-D109 PolarHBondContact O-N 3.43Å; E107-T110 PolarHBondContact O-N 2.84Å; E107-K111 HydrophobicContact CB-CD 4.11Å; E107-K111 HydrophobicContact CB-CG 4.27Å; E107-K111 VanDerWaalsContact CD-CE 3.44Å; E107-K111 HydrophobicContact CG-CD 4.25Å; E107-K111 WeakPolarHBondContact O-CA 3.42Å; E107-K111 WeakPolarHBondContact O-CB 3.28Å; E107-K111 PolarHBondContact O-N 2.59Å; E107-K111 WeakPolarHBondContact OE1-CE 3.43Å; E107-K111 IonicContact OE1-NZ 3.94Å; E107-K111 PolarHBondContact OE1-NZ 3.46Å; E107-K111 WeakPolarHBondContact OE2-CE 3.47Å; E107-K111 IonicContact OE2-NZ 3.67Å; E107-K111 PolarHBondContact OE2-NZ 2.86Å; E107-L112 PolarHBondContact O-N 2.83Å
108	E	87.8	Confident	91.1	Very high	24 Å²	24	46.9 Å²	46.9	11%	0.112	24%	0.238	C	C	.	.	I	π-helix	trans	-58.1	-32.8	173.6	-70.3	82.8	170	0	0	112.2	R87 Y89 P106 L112 K113	R87-E108 IonicContact CZ-OE1 2.59Å; R87-E108 IonicContact CZ-OE2 3.95Å; R87-E108 IonicContact NE-OE1 3.21Å; R87-E108 PolarHBondContact NE-OE1 2.94Å; R87-E108 IonicContact NE-OE2 3.02Å; R87-E108 VanDerWaalsContact NH2-CD 3.28Å; R87-E108 IonicContact NH2-OE1 3.92Å; R87-E108 PolarHBondContact NH2-OE1 3.07Å; R87-E108 IonicContact NH2-OE2 3.46Å; R87-E108 PolarHBondContact NH2-OE2 2.9Å; Y89-E108 HydrophobicContact CE1-CB 4.41Å; Y89-E108 HydrophobicContact CE1-CG 3.99Å; Y89-E108 VanDerWaalsContact OH-CB 3.25Å; Y89-E108 WeakPolarHBondContact OH-CB 3.22Å; P106-E108 VanDerWaalsContact C-N 3.26Å; P106-E108 WeakPolarHBondContact CB-OE2 3.26Å; P106-E108 PolarHBondContact O-N 2.91Å; E108-L112 WeakPolarHBondContact O-CB 3.44Å; E108-K113 VanDerWaalsContact O-CD 3.32Å; E108-K113 WeakPolarHBondContact O-CD 3.47Å; E108-K113 VanDerWaalsContact O-CG 3.24Å; E108-K113 WeakPolarHBondContact O-CG 3.45Å; E108-K113 PolarHBondContact O-N 2.96Å
109	D	89.6	Confident	90.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.248	C	C	.	.	I	π-helix	trans	-84.6	-56.4	174.8	-70.4	-95.6	0	0	0	110.3	Y91 L105 P106 E107 K113 I114 Y176	Y91-D109 VanDerWaalsContact CE1-OD2 3.3Å; Y91-D109 WeakPolarHBondContact CE1-OD2 3.23Å; Y91-D109 PolarHBondContact OH-OD1 2.91Å; Y91-D109 PolarHBondContact OH-OD2 3Å; L105-D109 HydrophobicContact CB-CB 3.93Å; L105-D109 HydrophobicContact CD1-CB 4.4Å; L105-D109 HydrophobicContact CD2-CB 4.33Å; L105-D109 HydrophobicContact CG-CB 4.45Å; P106-D109 PolarHBondContact O-N 3.36Å; E107-D109 PolarHBondContact O-N 3.43Å; D109-K113 PolarHBondContact O-N 2.85Å; D109-K113 WeakPolarHBondContact OD1-CE 3.22Å; D109-K113 IonicContact OD1-NZ 3.71Å; D109-K113 PolarHBondContact OD1-NZ 2.82Å; D109-K113 IonicContact OD2-NZ 3.1Å; D109-I114 HydrophobicContact CB-CD1 4.38Å; D109-I114 WeakPolarHBondContact O-CB 3.47Å; D109-I114 VanDerWaalsContact O-CG1 3.26Å; D109-I114 WeakPolarHBondContact O-CG1 3.2Å; D109-I114 PolarHBondContact O-N 2.85Å; D109-Y176 PolarHBondContact OD1-OH 3.3Å
110	T	91.3	Very high	89.5	Confident	49 Å²	49	43.9 Å²	43.9	30%	0.301	22%	0.221	S	C	.	.	I	π-helix	trans	-75.2	-29.7	-167.2	57.1	0	0	0	0	114.3	L105 P106 E107 P115	L105-T110 HydrophobicContact CB-CG2 3.84Å; P106-T110 PolarHBondContact O-N 3.49Å; P106-T110 PolarHBondContact O-OG1 2.99Å; P106-T110 VanDerWaalsContact O-OG1 3.13Å; E107-T110 PolarHBondContact O-N 2.84Å; T110-P115 WeakPolarHBondContact O-CD 3.44Å; T110-P115 WeakPolarHBondContact O-CG 3.48Å
111	K	85.1	Confident	88.8	Confident	102 Å²	102	46.5 Å²	46.5	44%	0.443	23%	0.234	S	C	.	.	I	π-helix	trans	-105.1	-23.6	179.8	-58.8	-172.4	-172.6	167.6	0	113.8	E107	E107-K111 HydrophobicContact CB-CD 4.11Å; E107-K111 HydrophobicContact CB-CG 4.27Å; E107-K111 VanDerWaalsContact CD-CE 3.44Å; E107-K111 HydrophobicContact CG-CD 4.25Å; E107-K111 WeakPolarHBondContact O-CA 3.42Å; E107-K111 WeakPolarHBondContact O-CB 3.28Å; E107-K111 PolarHBondContact O-N 2.59Å; E107-K111 WeakPolarHBondContact OE1-CE 3.43Å; E107-K111 IonicContact OE1-NZ 3.94Å; E107-K111 PolarHBondContact OE1-NZ 3.46Å; E107-K111 WeakPolarHBondContact OE2-CE 3.47Å; E107-K111 IonicContact OE2-NZ 3.67Å; E107-K111 PolarHBondContact OE2-NZ 2.86Å
112	L	80.9	Confident	88.3	Confident	19 Å²	19	46.4 Å²	46.4	10%	0.099	23%	0.234	C	C	.	.	I	π-helix	trans	-110	-74.5	-177.7	-49.1	177.6	0	0	0	112	A33 W36 E107 E108 I114 P115 L116	A33-L112 HydrophobicContact CB-CD1 3.6Å; W36-L112 HydrophobicContact CB-CD1 4.46Å; W36-L112 HydrophobicContact CB-CD2 4.22Å; W36-L112 HydrophobicContact CD2-CD2 3.86Å; W36-L112 HydrophobicContact CE3-CD2 4.44Å; W36-L112 HydrophobicContact CG-CD2 3.73Å; E107-L112 PolarHBondContact O-N 2.83Å; E108-L112 WeakPolarHBondContact O-CB 3.44Å; L112-I114 PolarHBondContact O-N 3.07Å; L112-P115 WeakPolarHBondContact O-CD 3.44Å; L112-L116 WeakPolarHBondContact O-CB 3.3Å; L112-L116 VanDerWaalsContact O-CD1 3.27Å; L112-L116 WeakPolarHBondContact O-CD1 3.32Å; L112-L116 VanDerWaalsContact O-CG 3.24Å; L112-L116 WeakPolarHBondContact O-CG 3.44Å; L112-L116 PolarHBondContact O-N 3.27Å
113	K	82	Confident	87.4	Confident	15 Å²	15	44.2 Å²	44.2	7%	0.065	22%	0.222	C	C	.	.	I	π-helix	trans	-59.7	-50.4	-170.5	-67	156.4	64.1	-172.3	0	112.2	P78 Y91 E108 D109 L116 I117 Y176	P78-K113 PolarHBondContact O-NZ 3.38Å; Y91-K113 PolarHBondContact OH-NZ 3.29Å; E108-K113 VanDerWaalsContact O-CD 3.32Å; E108-K113 WeakPolarHBondContact O-CD 3.47Å; E108-K113 VanDerWaalsContact O-CG 3.24Å; E108-K113 WeakPolarHBondContact O-CG 3.45Å; E108-K113 PolarHBondContact O-N 2.96Å; D109-K113 PolarHBondContact O-N 2.85Å; D109-K113 WeakPolarHBondContact OD1-CE 3.22Å; D109-K113 IonicContact OD1-NZ 3.71Å; D109-K113 PolarHBondContact OD1-NZ 2.82Å; D109-K113 IonicContact OD2-NZ 3.1Å; K113-L116 PolarHBondContact O-N 2.85Å; K113-I117 WeakPolarHBondContact O-CB 3.37Å; K113-I117 WeakPolarHBondContact O-CD1 3.48Å; K113-I117 WeakPolarHBondContact O-CG1 3.1Å; K113-I117 PolarHBondContact O-N 2.82Å; K113-Y176 WeakPolarHBondContact CE-OH 3.16Å; K113-Y176 PolarHBondContact NZ-OH 3.21Å
114	I	89.6	Confident	86.4	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-64.9	-50.8	-174	-69.6	172	0	0	0	111.8	L105 D109 L112 L116 I117 H118 Y176 H179 L181	L105-I114 HydrophobicContact CD1-CD1 3.93Å; D109-I114 HydrophobicContact CB-CD1 4.38Å; D109-I114 WeakPolarHBondContact O-CB 3.47Å; D109-I114 VanDerWaalsContact O-CG1 3.26Å; D109-I114 WeakPolarHBondContact O-CG1 3.2Å; D109-I114 PolarHBondContact O-N 2.85Å; L112-I114 PolarHBondContact O-N 3.07Å; I114-L116 VanDerWaalsContact C-N 3.3Å; I114-L116 PolarHBondContact O-N 2.96Å; I114-I117 PolarHBondContact O-N 3.23Å; I114-H118 PolarHBondContact O-CD2 2.98Å; I114-H118 VanDerWaalsContact O-CD2 3.28Å; I114-H118 PolarHBondContact O-N 3.19Å; I114-Y176 HydrophobicContact CD1-CD1 4.46Å; I114-Y176 HydrophobicContact CD1-CE1 4.21Å; I114-Y176 HydrophobicContact CD1-CE2 4.28Å; I114-Y176 HydrophobicContact CG1-CD1 4.24Å; I114-Y176 HydrophobicContact CG1-CE1 3.72Å; I114-H179 HydrophobicContact CD1-CB 4.06Å; I114-H179 HydrophobicContact CG2-CB 3.83Å; I114-L181 HydrophobicContact CB-CD1 4.28Å; I114-L181 HydrophobicContact CG1-CD1 4.04Å; I114-L181 HydrophobicContact CG2-CD1 3.98Å
115	P	86.3	Confident	85.6	Confident	47 Å²	47	47.5 Å²	47.5	31%	0.305	23%	0.233	S	C	.	.	H	α-helix	trans	-58.4	-39.5	175.6	-28.4	37.5	0	0	0	113.5	T110 L112 H118 R119	T110-P115 WeakPolarHBondContact O-CD 3.44Å; T110-P115 WeakPolarHBondContact O-CG 3.48Å; L112-P115 WeakPolarHBondContact O-CD 3.44Å; P115-H118 PolarHBondContact O-N 3.28Å; P115-R119 WeakPolarHBondContact O-CG 3.19Å; P115-R119 PolarHBondContact O-N 2.81Å
116	L	80.2	Confident	84.9	Confident	11 Å²	11	50 Å²	50	6%	0.058	24%	0.241	C	C	.	.	H	α-helix	trans	-68.8	-39.6	179	-72	165.3	0	0	0	112.4	L29 Q32 I61 L112 K113 I114 R119 A120	L29-L116 HydrophobicContact CD2-CB 3.54Å; L29-L116 HydrophobicContact CD2-CD1 3.77Å; L29-L116 HydrophobicContact CD2-CG 4.29Å; Q32-L116 HydrophobicContact CB-CD1 4.45Å; I61-L116 HydrophobicContact CD1-CD2 4.21Å; L112-L116 WeakPolarHBondContact O-CB 3.3Å; L112-L116 VanDerWaalsContact O-CD1 3.27Å; L112-L116 WeakPolarHBondContact O-CD1 3.32Å; L112-L116 VanDerWaalsContact O-CG 3.24Å; L112-L116 WeakPolarHBondContact O-CG 3.44Å; L112-L116 PolarHBondContact O-N 3.27Å; K113-L116 PolarHBondContact O-N 2.85Å; I114-L116 VanDerWaalsContact C-N 3.3Å; I114-L116 PolarHBondContact O-N 2.96Å; L116-R119 PolarHBondContact O-N 2.87Å; L116-A120 PolarHBondContact O-N 3.49Å
117	I	84.5	Confident	84.6	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-48.6	172.4	-68.4	161.6	0	0	0	109.4	I75 V77 K113 I114 R119 A120 L121 L130 Y176 L181	I75-I117 HydrophobicContact CD1-CG2 4.49Å; I75-I117 HydrophobicContact CG2-CG1 4.42Å; V77-I117 HydrophobicContact CG1-CD1 4.36Å; V77-I117 HydrophobicContact CG2-CD1 3.76Å; K113-I117 WeakPolarHBondContact O-CB 3.37Å; K113-I117 WeakPolarHBondContact O-CD1 3.48Å; K113-I117 WeakPolarHBondContact O-CG1 3.1Å; K113-I117 PolarHBondContact O-N 2.82Å; I114-I117 PolarHBondContact O-N 3.23Å; I117-R119 VanDerWaalsContact C-N 3.34Å; I117-R119 PolarHBondContact O-N 2.9Å; I117-A120 WeakPolarHBondContact O-CA 3.44Å; I117-A120 WeakPolarHBondContact O-CB 3.4Å; I117-A120 PolarHBondContact O-N 3.27Å; I117-L121 HydrophobicContact CG2-CD1 4.07Å; I117-L121 HydrophobicContact CG2-CG 4.12Å; I117-L121 VanDerWaalsContact O-CG 3.3Å; I117-L121 WeakPolarHBondContact O-CG 3.33Å; I117-L121 PolarHBondContact O-N 3.47Å; I117-L130 HydrophobicContact CG2-CD1 4.08Å; I117-L130 HydrophobicContact CG2-CD2 3.85Å; I117-Y176 HydrophobicContact CD1-CE1 4.3Å; I117-L181 HydrophobicContact CB-CD1 4.19Å; I117-L181 HydrophobicContact CD1-CD1 4.27Å; I117-L181 HydrophobicContact CG2-CD1 3.94Å; I117-L181 HydrophobicContact CG2-CD2 3.65Å; I117-L181 HydrophobicContact CG2-CG 4.45Å
118	H	88.7	Confident	84.3	Confident	52 Å²	52	50.1 Å²	50.1	24%	0.241	25%	0.25	C	S	.	.	H	α-helix	trans	-56.7	-44.6	176.8	-82.9	-60.9	0	0	0	112.8	I114 P115 A120 L121 Q122 H179 L181	I114-H118 PolarHBondContact O-CD2 2.98Å; I114-H118 VanDerWaalsContact O-CD2 3.28Å; I114-H118 PolarHBondContact O-N 3.19Å; P115-H118 PolarHBondContact O-N 3.28Å; H118-A120 VanDerWaalsContact C-N 3.32Å; H118-A120 PolarHBondContact O-N 3.41Å; H118-L121 PolarHBondContact O-N 3.48Å; H118-Q122 WeakPolarHBondContact O-CB 3.41Å; H118-Q122 VanDerWaalsContact O-CG 3.24Å; H118-Q122 WeakPolarHBondContact O-CG 3.14Å; H118-Q122 PolarHBondContact O-N 3.5Å; H118-H179 PolarHBondContact CE1-O 3.28Å; H118-H179 VanDerWaalsContact CE1-O 3.27Å; H118-H179 PolarHBondContact NE2-O 3.39Å; H118-L181 VanDerWaalsContact CE1-CD2 3.46Å; H118-L181 WeakPolarHBondContact CE1-CD2 3.21Å
119	R	82.6	Confident	84.3	Confident	98 Å²	98	49.7 Å²	49.7	37%	0.37	25%	0.25	S	C	.	.	H	α-helix	trans	-59.1	-42.9	174.5	-71.5	173.6	179.6	-169.3	-4.8	111.5	D54 E57 I61 P115 L116 I117 Q122 L123	D54-R119 IonicContact OD1-CZ 2.73Å; D54-R119 IonicContact OD1-NH1 3.58Å; D54-R119 PolarHBondContact OD1-NH1 3.46Å; D54-R119 IonicContact OD1-NH2 3.65Å; D54-R119 PolarHBondContact OD1-NH2 2.88Å; E57-R119 IonicContact OE2-NH1 2.76Å; E57-R119 PolarHBondContact OE2-NH1 3.22Å; I61-R119 HydrophobicContact CD1-CB 4.06Å; P115-R119 WeakPolarHBondContact O-CG 3.19Å; P115-R119 PolarHBondContact O-N 2.81Å; L116-R119 PolarHBondContact O-N 2.87Å; I117-R119 VanDerWaalsContact C-N 3.34Å; I117-R119 PolarHBondContact O-N 2.9Å; R119-Q122 PolarHBondContact O-N 2.71Å; R119-L123 WeakPolarHBondContact O-CG 3.48Å; R119-L123 PolarHBondContact O-N 2.89Å
120	A	78.9	Confident	84.3	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.008	25%	0.25	C	S	.	.	H	α-helix	trans	-64.9	-43	177.2	0	0	0	0	0	112.6	I61 I75 L116 I117 H118 Q122 L123 A124	I61-A120 HydrophobicContact CG2-CB 3.86Å; I75-A120 HydrophobicContact CD1-CB 3.92Å; L116-A120 PolarHBondContact O-N 3.49Å; I117-A120 WeakPolarHBondContact O-CA 3.44Å; I117-A120 WeakPolarHBondContact O-CB 3.4Å; I117-A120 PolarHBondContact O-N 3.27Å; H118-A120 VanDerWaalsContact C-N 3.32Å; H118-A120 PolarHBondContact O-N 3.41Å; A120-Q122 PolarHBondContact O-N 2.74Å; A120-L123 PolarHBondContact O-N 3.38Å; A120-A124 WeakPolarHBondContact O-CB 3.46Å; A120-A124 PolarHBondContact O-N 3.35Å
121	L	83.2	Confident	84.3	Confident	58 Å²	58	47.5 Å²	47.5	30%	0.304	24%	0.236	S	C	.	.	H	α-helix	trans	-62.8	-40.2	176.2	-64	-175.9	0	0	0	112.1	I117 H118 L123 A124 V128 L181	I117-L121 HydrophobicContact CG2-CD1 4.07Å; I117-L121 HydrophobicContact CG2-CG 4.12Å; I117-L121 VanDerWaalsContact O-CG 3.3Å; I117-L121 WeakPolarHBondContact O-CG 3.33Å; I117-L121 PolarHBondContact O-N 3.47Å; H118-L121 PolarHBondContact O-N 3.48Å; L121-L123 VanDerWaalsContact C-N 3.33Å; L121-L123 PolarHBondContact O-N 2.59Å; L121-A124 PolarHBondContact O-N 2.73Å; L121-V128 HydrophobicContact CD2-CB 3.43Å; L121-V128 VanDerWaalsContact CD2-CB 3.43Å; L121-V128 HydrophobicContact CD2-CG1 3.79Å; L121-V128 HydrophobicContact CD2-CG2 3.95Å; L121-L181 HydrophobicContact CD1-CD2 3.58Å
122	Q	86.7	Confident	84.7	Confident	152 Å²	152	42.7 Å²	42.7	71%	0.71	22%	0.215	S	C	*	.	H	α-helix	trans	-66.8	-32.7	178.3	-73.4	170	10.2	0	0	113.1	H118 R119 A120	H118-Q122 WeakPolarHBondContact O-CB 3.41Å; H118-Q122 VanDerWaalsContact O-CG 3.24Å; H118-Q122 WeakPolarHBondContact O-CG 3.14Å; H118-Q122 PolarHBondContact O-N 3.5Å; R119-Q122 PolarHBondContact O-N 2.71Å; A120-Q122 PolarHBondContact O-N 2.74Å
123	L	79.4	Confident	85.3	Confident	38 Å²	38	41.8 Å²	41.8	20%	0.199	21%	0.211	C	C	.	.	H	α-helix	trans	-84.6	-24	178.7	-71.2	172.8	0	0	0	112.6	Y58 I61 T66 R119 A120 L121 Q125	Y58-L123 HydrophobicContact CD2-CD1 4.07Å; Y58-L123 HydrophobicContact CE2-CD1 3.84Å; Y58-L123 HydrophobicContact CE2-CD2 3.85Å; Y58-L123 HydrophobicContact CE2-CG 4.41Å; I61-L123 HydrophobicContact CB-CD1 4.11Å; I61-L123 HydrophobicContact CG2-CB 4.38Å; I61-L123 HydrophobicContact CG2-CD1 3.52Å; T66-L123 HydrophobicContact CG2-CB 3.98Å; T66-L123 WeakPolarHBondContact CG2-O 3.31Å; R119-L123 WeakPolarHBondContact O-CG 3.48Å; R119-L123 PolarHBondContact O-N 2.89Å; A120-L123 PolarHBondContact O-N 3.38Å; L121-L123 VanDerWaalsContact C-N 3.33Å; L121-L123 PolarHBondContact O-N 2.59Å; L123-Q125 PolarHBondContact O-N 2.73Å
124	A	78	Confident	86	Confident	19 Å²	19	41 Å²	41	16%	0.157	21%	0.207	C	C	.	.			trans	-67.5	128	-178.7	0	0	0	0	0	111.5	C65 A120 L121 R126 V128	C65-A124 HydrophobicContact CB-CB 4.42Å; C65-A124 WeakPolarHBondContact O-CA 3.45Å; A120-A124 WeakPolarHBondContact O-CB 3.46Å; A120-A124 PolarHBondContact O-N 3.35Å; L121-A124 PolarHBondContact O-N 2.73Å; A124-R126 VanDerWaalsContact C-N 3.32Å; A124-R126 WeakPolarHBondContact CB-O 3.49Å; A124-V128 HydrophobicContact CB-CG2 3.35Å
125	Q	80.2	Confident	86.3	Confident	151 Å²	151	41.3 Å²	41.3	71%	0.706	21%	0.208	S	C	*	.	S	Bend	trans	-83.1	-15.8	172	-67.4	178.7	-3.4	0	0	112.3	L123	L123-Q125 PolarHBondContact O-N 2.73Å
126	R	83.4	Confident	86.9	Confident	77 Å²	77	39.2 Å²	39.2	29%	0.291	20%	0.195	S	C	.	.	S	Bend	trans	-108.8	148.5	179.3	-64.1	176.5	-179.3	167.1	-2.6	109	G71 A124 V128 S325 K326	G71-R126 PolarHBondContact O-NH1 3.29Å; G71-R126 VanDerWaalsContact O-NH1 3.17Å; A124-R126 VanDerWaalsContact C-N 3.32Å; A124-R126 WeakPolarHBondContact CB-O 3.49Å; R126-V128 PolarHBondContact O-N 3.32Å; R126-S325 PolarHBondContact NH1-O 2.56Å; R126-K326 PolarHBondContact NH2-O 3.46Å
127	P	87.9	Confident	87.8	Confident	106 Å²	106	38.7 Å²	38.7	69%	0.688	19%	0.192	S	C	*	.			trans	-54.5	129.1	168.6	-22.8	33.5	0	0	0	110.1
128	V	84.1	Confident	88.4	Confident	27 Å²	27	38.7 Å²	38.7	16%	0.164	19%	0.192	C	C	.	.			trans	-104.1	129.9	179.7	179	0	0	0	0	108.8	N73 I75 L121 A124 R126 L130	N73-V128 CarbonylContact O-C 3.6Å; N73-V128 WeakPolarHBondContact O-CA 3.09Å; I75-V128 HydrophobicContact CD1-CG1 3.8Å; I75-V128 HydrophobicContact CG1-CG1 3.67Å; L121-V128 HydrophobicContact CD2-CB 3.43Å; L121-V128 VanDerWaalsContact CD2-CB 3.43Å; L121-V128 HydrophobicContact CD2-CG1 3.79Å; L121-V128 HydrophobicContact CD2-CG2 3.95Å; A124-V128 HydrophobicContact CB-CG2 3.35Å; R126-V128 PolarHBondContact O-N 3.32Å; V128-L130 HydrophobicContact CG1-CD2 4.47Å
129	S	88.1	Confident	88.9	Confident	15 Å²	15	38.2 Å²	38.2	11%	0.105	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.1	175.8	-66.9	0	0	0	0	110.4	R17 N73 I74 I75	R17-S129 PolarHBondContact NH1-OG 3.18Å; N73-S129 PolarHBondContact O-N 2.91Å; I74-S129 VanDerWaalsContact CA-O 3.27Å; I74-S129 WeakPolarHBondContact CA-O 3.39Å; I75-S129 PolarHBondContact N-O 3.34Å
130	L	90.1	Very high	89.7	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	134.4	171.4	-49.3	-178.1	0	0	0	110.1	I75 I117 V128 L181 F183 W184 A185	I75-L130 HydrophobicContact CB-CD2 3.76Å; I75-L130 HydrophobicContact CD1-CD2 4.13Å; I75-L130 HydrophobicContact CG1-CD2 4.27Å; I75-L130 HydrophobicContact CG2-CD2 4.41Å; I75-L130 WeakPolarHBondContact O-CA 3.49Å; I117-L130 HydrophobicContact CG2-CD1 4.08Å; I117-L130 HydrophobicContact CG2-CD2 3.85Å; V128-L130 HydrophobicContact CG1-CD2 4.47Å; L130-L181 HydrophobicContact CD1-CB 4.01Å; L130-L181 HydrophobicContact CD1-CD2 4.26Å; L130-F183 HydrophobicContact CB-CD1 3.59Å; L130-F183 HydrophobicContact CB-CE1 3.72Å; L130-F183 HydrophobicContact CB-CG 4.18Å; L130-F183 HydrophobicContact CB-CZ 4.44Å; L130-F183 HydrophobicContact CD1-CZ 4.49Å; L130-W184 WeakPolarHBondContact O-CB 3.41Å; L130-W184 PolarHBondContact O-N 3.26Å; L130-A185 PolarHBondContact O-N 3.04Å
131	L	89.6	Confident	90.6	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.1	172.2	171.8	70.2	0	0	0	108.5	M21 I75 W76 V77 A185 T187 L235	M21-L131 HydrophobicContact CE-CD2 3.22Å; M21-L131 HydrophobicContact SD-CD2 3.61Å; I75-L131 PolarHBondContact O-N 3.5Å; W76-L131 CarbonylContact C-O 3.55Å; W76-L131 WeakPolarHBondContact CA-O 3.27Å; V77-L131 PolarHBondContact N-O 3.44Å; L131-A185 WeakPolarHBondContact CA-O 3.46Å; L131-A185 HydrophobicContact CD1-CB 3.56Å; L131-T187 HydrophobicContact CD1-CG2 3.94Å; L131-L235 HydrophobicContact CD1-CD1 3.88Å
132	A	94.1	Very high	91.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.8	174	0	0	0	0	0	113.5	V77 M79 F172 F183 A185 V186 T187	V77-A132 WeakPolarHBondContact O-CA 3.39Å; V77-A132 WeakPolarHBondContact O-CB 3.43Å; M79-A132 HydrophobicContact CG-CB 3.9Å; M79-A132 HydrophobicContact SD-CB 4.17Å; A132-F172 HydrophobicContact CB-CE1 3.53Å; A132-F172 HydrophobicContact CB-CZ 3.73Å; A132-F183 HydrophobicContact CB-CD1 3.75Å; A132-F183 HydrophobicContact CB-CE1 3.45Å; A132-F183 VanDerWaalsContact CB-CE1 3.45Å; A132-F183 HydrophobicContact CB-CZ 4.15Å; A132-A185 PolarHBondContact N-O 3.38Å; A132-V186 HydrophobicContact CB-CG1 4.19Å; A132-V186 CarbonylContact O-C 3.6Å; A132-V186 WeakPolarHBondContact O-CA 3.2Å; A132-T187 PolarHBondContact O-N 3.12Å
133	S	93.9	Very high	91.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	134.9	172.8	-52.9	0	0	0	0	109.7	W76 V77 M79 W135 T187 D238	W76-S133 PolarHBondContact NE1-OG 2.95Å; V77-S133 PolarHBondContact O-N 3.44Å; M79-S133 PolarHBondContact N-O 3.49Å; S133-W135 WeakPolarHBondContact O-CZ3 3.06Å; S133-T187 WeakPolarHBondContact CB-OG1 3.47Å; S133-T187 VanDerWaalsContact OG-CG2 3.31Å; S133-T187 WeakPolarHBondContact OG-CG2 3.48Å; S133-T187 PolarHBondContact OG-OG1 3Å; S133-D238 WeakPolarHBondContact CB-OD2 3.41Å; S133-D238 PolarHBondContact OG-OD2 3.38Å
134	P	97.4	Very high	92.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	149.3	166.8	32.7	-29.5	0	0	0	111.4	M79 W165 F169 N190	M79-P134 HydrophobicContact CB-CB 4Å; M79-P134 HydrophobicContact CE-CB 4.45Å; M79-P134 HydrophobicContact SD-CB 4.13Å; M79-P134 HydrophobicContact SD-CG 4.11Å; P134-W165 HydrophobicContact CB-CH2 3.83Å; P134-W165 HydrophobicContact CB-CZ2 3.74Å; P134-W165 HydrophobicContact CG-CH2 4.33Å; P134-W165 HydrophobicContact CG-CZ2 3.77Å; P134-F169 HydrophobicContact CG-CE1 4.08Å; P134-F169 HydrophobicContact CG-CE2 4.34Å; P134-F169 HydrophobicContact CG-CZ 3.56Å; P134-N190 WeakPolarHBondContact O-CB 3.42Å; P134-N190 PolarHBondContact O-N 2.98Å
135	W	95.6	Very high	93.8	Very high	11 Å²	11	30.2 Å²	30.2	4%	0.042	17%	0.172	C	C	.	.	S	Bend	trans	-100.5	-29	169.9	-86.8	-109	0	0	0	112.8	W76 P78 C82 S133 N190 Q203 C204 L205	W76-W135 HydrophobicContact CE3-CH2 4.37Å; W76-W135 AromaticContact CH2-CH2 3.1Å; W76-W135 HydrophobicContact CH2-CH2 3.1Å; W76-W135 AromaticContact CH2-CZ2 3.36Å; W76-W135 HydrophobicContact CH2-CZ2 3.36Å; W76-W135 HydrophobicContact CH2-CZ3 4.08Å; W76-W135 AromaticContact CZ2-CH2 3.33Å; W76-W135 HydrophobicContact CZ2-CH2 3.33Å; W76-W135 AromaticContact CZ2-CZ2 3.95Å; W76-W135 HydrophobicContact CZ2-CZ2 3.95Å; W76-W135 AromaticContact CZ2-CZ3 3.85Å; W76-W135 HydrophobicContact CZ2-CZ3 3.85Å; W76-W135 AromaticContact CZ3-CH2 3.66Å; W76-W135 HydrophobicContact CZ3-CH2 3.66Å; W76-W135 AromaticContact CZ3-CZ2 4Å; W76-W135 HydrophobicContact CZ3-CZ2 4Å; P78-W135 HydrophobicContact CB-CE3 3.92Å; P78-W135 HydrophobicContact CB-CH2 3.93Å; P78-W135 HydrophobicContact CB-CZ3 3.32Å; P78-W135 HydrophobicContact CG-CH2 3.68Å; P78-W135 HydrophobicContact CG-CZ3 3.61Å; C82-W135 HydrophobicContact CB-CB 4.43Å; C82-W135 HydrophobicContact CB-CD2 3.32Å; C82-W135 HydrophobicContact CB-CE3 3.85Å; C82-W135 HydrophobicContact CB-CG 3.62Å; C82-W135 HydrophobicContact CB-CH2 4.16Å; C82-W135 HydrophobicContact CB-CZ2 3.67Å; C82-W135 HydrophobicContact CB-CZ3 4.28Å; S133-W135 WeakPolarHBondContact O-CZ3 3.06Å; W135-N190 HydrophobicContact CD2-CB 4.05Å; W135-N190 HydrophobicContact CE3-CB 4.29Å; W135-N190 HydrophobicContact CG-CB 4.3Å; W135-N190 PolarHBondContact NE1-ND2 2.8Å; W135-Q203 HydrophobicContact CB-CB 3.81Å; W135-Q203 CarbonylContact O-C 3.57Å; W135-C204 CarbonylContact O-C 3.57Å; W135-C204 WeakPolarHBondContact O-CA 3.2Å; W135-C204 PolarHBondContact O-N 3.31Å; W135-C204 VanDerWaalsContact O-N 3.13Å; W135-L205 PolarHBondContact O-N 3.1Å; W135-L205 VanDerWaalsContact O-N 3.16Å
136	T	98.1	Very high	94.6	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.018	15%	0.152	C	C	.	.			trans	-154.1	147.3	178.4	-175.5	0	0	0	0	110.1	T90 K142 V147 Q203	T90-T136 HydrophobicContact CG2-CG2 4.25Å; T136-K142 PolarHBondContact OG1-NZ 2.85Å; T136-V147 HydrophobicContact CG2-CB 4.26Å; T136-V147 HydrophobicContact CG2-CG1 4.41Å; T136-V147 PolarHBondContact OG1-O 3.45Å; T136-Q203 HydrophobicContact CG2-CB 3.81Å; T136-Q203 HydrophobicContact CG2-CG 3.82Å
137	S	98.6	Very high	95.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	15%	0.146	C	C	.	.			trans	-76.5	166.9	163.4	70.4	0	0	0	0	111.4	T139 K142 W165	S137-T139 PolarHBondContact O-N 3.44Å; S137-K142 WeakPolarHBondContact OG-CG 3.32Å; S137-W165 VanDerWaalsContact CA-CZ3 3.47Å
138	P	98.8	Very high	95.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.13	C	C	.	.			trans	-47.1	139.7	161.5	-26.7	30.3	0	0	0	111.9	A92 W140 L141 Y168	A92-P138 HydrophobicContact CB-CG 4.05Å; A92-P138 WeakPolarHBondContact O-CB 3.48Å; P138-W140 VanDerWaalsContact C-N 3.27Å; P138-W140 HydrophobicContact CB-CD2 4.35Å; P138-W140 HydrophobicContact CB-CG 4.38Å; P138-W140 HydrophobicContact CB-CZ2 4.14Å; P138-W140 HydrophobicContact CG-CZ2 4.38Å; P138-W140 PolarHBondContact O-N 3.05Å; P138-L141 HydrophobicContact CG-CD1 4.32Å; P138-L141 WeakPolarHBondContact O-CB 3.39Å; P138-L141 PolarHBondContact O-N 3.34Å; P138-L141 VanDerWaalsContact O-N 3.09Å; P138-Y168 HydrophobicContact CG-CD2 4.31Å; P138-Y168 HydrophobicContact CG-CE2 3.99Å
139	T	98.6	Very high	96.1	Very high	42 Å²	42	19.5 Å²	19.5	26%	0.258	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-64.2	-31.1	-171.3	54.9	0	0	0	0	113.2	S137 L141 K142 G145 V147	S137-T139 PolarHBondContact O-N 3.44Å; T139-L141 PolarHBondContact O-N 2.99Å; T139-K142 WeakPolarHBondContact O-CB 3.47Å; T139-K142 PolarHBondContact O-N 3.37Å; T139-G145 WeakPolarHBondContact CB-O 3.46Å; T139-G145 WeakPolarHBondContact O-CA 3.3Å; T139-V147 HydrophobicContact CG2-CG1 3.56Å
140	W	98.6	Very high	96.6	Very high	15 Å²	15	24.7 Å²	24.7	6%	0.057	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-66.9	-19.5	177.8	55	-94.2	0	0	0	113.2	A92 T94 D97 F98 P138 K154 T164	A92-W140 PolarHBondContact O-NE1 2.94Å; T94-W140 PolarHBondContact O-NE1 3.35Å; D97-W140 VanDerWaalsContact C-CH2 3.4Å; D97-W140 HydrophobicContact CB-CZ2 4.32Å; D97-W140 VanDerWaalsContact O-CH2 3.23Å; D97-W140 WeakPolarHBondContact O-CH2 3.47Å; F98-W140 HydrophobicContact CD1-CH2 4.41Å; F98-W140 AromaticContact CD1-CZ3 3.66Å; F98-W140 HydrophobicContact CD1-CZ3 3.66Å; F98-W140 HydrophobicContact CD2-CZ3 4.47Å; F98-W140 HydrophobicContact CE1-CE3 4.25Å; F98-W140 AromaticContact CE1-CZ3 3.68Å; F98-W140 HydrophobicContact CE1-CZ3 3.68Å; F98-W140 HydrophobicContact CE2-CZ3 4.47Å; F98-W140 HydrophobicContact CG-CZ3 4.08Å; F98-W140 HydrophobicContact CZ-CE3 4.32Å; F98-W140 HydrophobicContact CZ-CZ3 4.09Å; P138-W140 VanDerWaalsContact C-N 3.27Å; P138-W140 HydrophobicContact CB-CD2 4.35Å; P138-W140 HydrophobicContact CB-CG 4.38Å; P138-W140 HydrophobicContact CB-CZ2 4.14Å; P138-W140 HydrophobicContact CG-CZ2 4.38Å; P138-W140 PolarHBondContact O-N 3.05Å; W140-K154 WeakPolarHBondContact O-CE 3.44Å; W140-K154 PolarHBondContact O-NZ 3.49Å; W140-T164 HydrophobicContact CH2-CG2 3.84Å; W140-T164 HydrophobicContact CZ3-CG2 4.41Å
141	L	98.7	Very high	97	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-81.2	-12.1	170.1	-66.3	176.9	0	0	0	113.5	F98 P138 T139 L153 K154 Y161 T164 W165	F98-L141 HydrophobicContact CE1-CD2 4.21Å; P138-L141 HydrophobicContact CG-CD1 4.32Å; P138-L141 WeakPolarHBondContact O-CB 3.39Å; P138-L141 PolarHBondContact O-N 3.34Å; P138-L141 VanDerWaalsContact O-N 3.09Å; T139-L141 PolarHBondContact O-N 2.99Å; L141-L153 HydrophobicContact CB-CD2 4.02Å; L141-L153 WeakPolarHBondContact O-CA 3.41Å; L141-K154 WeakPolarHBondContact O-CG 3.16Å; L141-K154 PolarHBondContact O-N 2.61Å; L141-Y161 HydrophobicContact CD2-CD1 3.82Å; L141-T164 HydrophobicContact CD1-CG2 4.38Å; L141-T164 HydrophobicContact CD2-CG2 4.25Å; L141-W165 HydrophobicContact CD1-CB 4.46Å; L141-W165 HydrophobicContact CD1-CE3 4.35Å
142	K	98.7	Very high	97.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-99.6	144.2	-169.8	-59.3	-180	69	174.2	0	113.1	T136 S137 T139 N144 G145 A146 V147 S152 K154 C204 L205	T136-K142 PolarHBondContact OG1-NZ 2.85Å; S137-K142 WeakPolarHBondContact OG-CG 3.32Å; T139-K142 WeakPolarHBondContact O-CB 3.47Å; T139-K142 PolarHBondContact O-N 3.37Å; K142-N144 WeakPolarHBondContact CB-OD1 3.37Å; K142-N144 PolarHBondContact O-N 3Å; K142-G145 PolarHBondContact O-N 3.3Å; K142-A146 VanDerWaalsContact CD-O 3.32Å; K142-A146 WeakPolarHBondContact CD-O 3.3Å; K142-A146 WeakPolarHBondContact CE-O 3.46Å; K142-A146 PolarHBondContact NZ-O 3.18Å; K142-V147 PolarHBondContact NZ-O 2.94Å; K142-S152 CarbonylContact C-O 3.45Å; K142-S152 VanDerWaalsContact CA-O 3.31Å; K142-S152 WeakPolarHBondContact CA-O 3.49Å; K142-K154 WeakPolarHBondContact O-CE 3.49Å; K142-C204 PolarHBondContact NZ-O 2.99Å; K142-L205 HydrophobicContact CD-CD1 4.19Å; K142-L205 HydrophobicContact CG-CD1 3.99Å
143	T	98.6	Very high	97.6	Very high	81 Å²	81	26.3 Å²	26.3	50%	0.497	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-30.7	178.9	49.8	0	0	0	0	113.4	S152 K154	T143-S152 PolarHBondContact N-O 3.44Å; T143-S152 PolarHBondContact OG1-N 3.27Å; T143-S152 VanDerWaalsContact OG1-N 3.11Å; T143-S152 PolarHBondContact OG1-O 3.06Å; T143-K154 HydrophobicContact CG2-CG 4.22Å
144	N	98.2	Very high	97.8	Very high	57 Å²	57	29.2 Å²	29.2	31%	0.305	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-5.8	-179.7	70.3	-18.8	0	0	0	114.4	K142 A146 N148 K150	K142-N144 WeakPolarHBondContact CB-OD1 3.37Å; K142-N144 PolarHBondContact O-N 3Å; N144-A146 PolarHBondContact O-N 3.37Å; N144-A146 PolarHBondContact OD1-N 3.36Å; N144-A146 PolarHBondContact OD1-O 2.87Å; N144-N148 PolarHBondContact ND2-O 2.89Å; N144-K150 WeakPolarHBondContact CB-O 3.42Å; N144-K150 PolarHBondContact ND2-O 2.66Å
145	G	98.1	Very high	97.8	Very high	45 Å²	45	31.1 Å²	31.1	46%	0.464	19%	0.192	S	C	.	.	S	Bend	trans	62.5	18.7	-178.6	0	0	0	0	0	115.1	T139 K142	T139-G145 WeakPolarHBondContact CB-O 3.46Å; T139-G145 WeakPolarHBondContact O-CA 3.3Å; K142-G145 PolarHBondContact O-N 3.3Å
146	A	97.6	Very high	97.9	Very high	33 Å²	33	37.2 Å²	37.2	27%	0.273	22%	0.221	S	C	.	.	S	Bend	trans	-134.6	152.1	-175.1	0	0	0	0	0	112	K142 N144 N148	K142-A146 VanDerWaalsContact CD-O 3.32Å; K142-A146 WeakPolarHBondContact CD-O 3.3Å; K142-A146 WeakPolarHBondContact CE-O 3.46Å; K142-A146 PolarHBondContact NZ-O 3.18Å; N144-A146 PolarHBondContact O-N 3.37Å; N144-A146 PolarHBondContact OD1-N 3.36Å; N144-A146 PolarHBondContact OD1-O 2.87Å; A146-N148 VanDerWaalsContact C-N 3.34Å; A146-N148 PolarHBondContact O-N 3.42Å
147	V	95.9	Very high	97.9	Very high	29 Å²	29	37.4 Å²	37.4	18%	0.176	22%	0.222	C	C	.	.	S	Bend	trans	-69.7	-31.2	-179.1	-64	0	0	0	0	112.6	T88 T136 T139 K142 Q203 C204	T88-V147 HydrophobicContact CG2-CG2 4.16Å; T136-V147 HydrophobicContact CG2-CB 4.26Å; T136-V147 HydrophobicContact CG2-CG1 4.41Å; T136-V147 PolarHBondContact OG1-O 3.45Å; T139-V147 HydrophobicContact CG2-CG1 3.56Å; K142-V147 PolarHBondContact NZ-O 2.94Å; V147-Q203 HydrophobicContact CB-CG 4.16Å; V147-Q203 HydrophobicContact CG2-CG 4.4Å; V147-Q203 WeakPolarHBondContact O-CA 3.36Å; V147-C204 PolarHBondContact O-N 3.23Å; V147-C204 VanDerWaalsContact O-N 3.11Å
148	N	94.9	Very high	97.9	Very high	63 Å²	63	39.5 Å²	39.5	34%	0.337	24%	0.244	S	C	.	.	S	Bend	trans	-115.6	-174.5	-179.4	65	-6.6	0	0	0	111.6	N144 A146 P201 F202	N144-N148 PolarHBondContact ND2-O 2.89Å; A146-N148 VanDerWaalsContact C-N 3.34Å; A146-N148 PolarHBondContact O-N 3.42Å; N148-P201 PolarHBondContact ND2-O 2.69Å; N148-F202 VanDerWaalsContact CA-O 3.3Å; N148-F202 WeakPolarHBondContact CA-O 3.38Å; N148-F202 VanDerWaalsContact CB-C 3.4Å; N148-F202 WeakPolarHBondContact CB-O 3.49Å
149	G	95.8	Very high	97.9	Very high	11 Å²	11	41.6 Å²	41.6	11%	0.113	26%	0.255	C	S	.	.	S	Bend	trans	70.7	-179.6	-178.8	0	0	0	0	0	113.9	G151 Y200 C204	G149-G151 PolarHBondContact O-N 3.21Å; G149-G151 VanDerWaalsContact O-N 3.16Å; G149-Y200 WeakPolarHBondContact CA-O 3.47Å; G149-Y200 PolarHBondContact N-O 3.26Å; G149-C204 PolarHBondContact O-SG 3.12Å
150	K	98.3	Very high	97.9	Very high	123 Å²	123	43.8 Å²	43.8	54%	0.535	26%	0.264	S	S	.	.	S	Bend	trans	-66.4	116.4	-179.9	-179.9	170.4	-176.8	157.2	0	110.4	N144 G195 L196 L197	N144-K150 WeakPolarHBondContact CB-O 3.42Å; N144-K150 PolarHBondContact ND2-O 2.66Å; K150-G195 WeakPolarHBondContact CA-O 3.39Å; K150-L196 WeakPolarHBondContact CD-O 3.34Å; K150-L197 PolarHBondContact N-O 3.34Å
151	G	98.1	Very high	97.9	Very high	3 Å²	3	46 Å²	46	3%	0.031	27%	0.273	C	S	.	.			trans	-172.1	137	-178.2	0	0	0	0	0	111.7	G149 G195 G206	G149-G151 PolarHBondContact O-N 3.21Å; G149-G151 VanDerWaalsContact O-N 3.16Å; G151-G195 PolarHBondContact N-O 2.65Å; G151-G206 PolarHBondContact O-N 2.72Å
152	S	98.6	Very high	97.9	Very high	33 Å²	33	46 Å²	46	23%	0.231	27%	0.273	C	S	.	.			trans	-121	176	176.5	62	0	0	0	0	109.2	K142 T143 G206	K142-S152 CarbonylContact C-O 3.45Å; K142-S152 VanDerWaalsContact CA-O 3.31Å; K142-S152 WeakPolarHBondContact CA-O 3.49Å; T143-S152 PolarHBondContact N-O 3.44Å; T143-S152 PolarHBondContact OG1-N 3.27Å; T143-S152 VanDerWaalsContact OG1-N 3.11Å; T143-S152 PolarHBondContact OG1-O 3.06Å; S152-G206 WeakPolarHBondContact CB-O 3.37Å
153	L	98.6	Very high	97.8	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-58.5	143.4	166.9	-66.9	173.5	0	0	0	110.6	L141 W165 L205 F207	L141-L153 HydrophobicContact CB-CD2 4.02Å; L141-L153 WeakPolarHBondContact O-CA 3.41Å; L153-W165 HydrophobicContact CD1-CB 4.05Å; L153-W165 HydrophobicContact CD1-CG 4.02Å; L153-W165 HydrophobicContact CD2-CB 4.21Å; L153-W165 HydrophobicContact CD2-CG 4.18Å; L153-L205 HydrophobicContact CD2-CD1 4.27Å; L153-L205 HydrophobicContact CD2-CD2 4.08Å; L153-L205 HydrophobicContact CG-CD1 4.26Å; L153-L205 HydrophobicContact CG-CD2 4.11Å; L153-F207 HydrophobicContact CD1-CE1 4.09Å; L153-F207 HydrophobicContact CD1-CZ 3.85Å; L153-F207 HydrophobicContact CG-CZ 4.25Å
154	K	98.6	Very high	97.9	Very high	61 Å²	61	44.7 Å²	44.7	27%	0.265	26%	0.261	S	S	.	.	S	Bend	trans	-65.5	155.5	170.5	-71.4	174.8	-178.4	169.9	0	110.3	W140 L141 K142 T143 Y161 H162	W140-K154 WeakPolarHBondContact O-CE 3.44Å; W140-K154 PolarHBondContact O-NZ 3.49Å; L141-K154 WeakPolarHBondContact O-CG 3.16Å; L141-K154 PolarHBondContact O-N 2.61Å; K142-K154 WeakPolarHBondContact O-CE 3.49Å; T143-K154 HydrophobicContact CG2-CG 4.22Å; K154-Y161 HydrophobicContact CB-CD1 3.8Å; K154-Y161 HydrophobicContact CB-CD2 3.78Å; K154-Y161 HydrophobicContact CB-CE1 3.92Å; K154-Y161 HydrophobicContact CB-CE2 3.88Å; K154-Y161 HydrophobicContact CB-CG 3.75Å; K154-Y161 HydrophobicContact CD-CD1 4.19Å; K154-Y161 HydrophobicContact CD-CE1 3.68Å; K154-Y161 HydrophobicContact CG-CE1 4.45Å; K154-Y161 WeakPolarHBondContact O-CB 3.46Å; K154-H162 PolarHBondContact O-CE1 3.2Å
155	G	97.4	Very high	97.9	Very high	40 Å²	40	42 Å²	42	41%	0.412	25%	0.247	S	C	.	.	S	Bend	trans	71.1	-140.6	172.7	0	0	0	0	0	113.4	D159	G155-D159 WeakPolarHBondContact CA-OD2 3.37Å
156	Q	97.9	Very high	97.9	Very high	139 Å²	139	39.9 Å²	39.9	65%	0.65	23%	0.225	S	C	*	.			trans	-141.6	149.2	-173.8	-64.2	-63.7	-47.4	0	0	112.2	G158 D159 H162	Q156-G158 PolarHBondContact O-N 3.11Å; Q156-D159 PolarHBondContact N-OD2 3.44Å; Q156-D159 VanDerWaalsContact O-CB 3.24Å; Q156-D159 WeakPolarHBondContact O-CB 3.32Å; Q156-D159 PolarHBondContact O-N 2.89Å; Q156-D159 VanDerWaalsContact O-N 3.08Å; Q156-H162 PolarHBondContact N-CE1 2.77Å; Q156-H162 PolarHBondContact O-ND1 2.85Å; Q156-H162 VanDerWaalsContact O-ND1 3.1Å
157	P	98.4	Very high	97.9	Very high	8 Å²	8	42 Å²	42	5%	0.052	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	131.9	176.5	-31	38.6	0	0	0	113.8	D214 R218 D219	P157-D214 HydrophobicContact CB-CB 3.72Å; P157-D214 HydrophobicContact CG-CB 3.69Å; P157-R218 WeakPolarHBondContact O-CD 3.18Å; P157-R218 PolarHBondContact O-NH1 2.77Å; P157-R218 VanDerWaalsContact O-NH1 3.13Å; P157-D219 WeakPolarHBondContact CA-OD2 3.41Å
158	G	97.4	Very high	98.1	Very high	44 Å²	44	40.7 Å²	40.7	45%	0.454	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.9	-9	-169.6	0	0	0	0	0	115	Q156 D219	Q156-G158 PolarHBondContact O-N 3.11Å; G158-D219 WeakPolarHBondContact CA-OD1 3.24Å; G158-D219 VanDerWaalsContact N-CG 3.33Å; G158-D219 PolarHBondContact N-OD1 3.26Å; G158-D219 PolarHBondContact N-OD2 2.86Å
159	D	98.4	Very high	98.3	Very high	44 Å²	44	37.7 Å²	37.7	24%	0.235	20%	0.202	C	C	.	.	S	Bend	trans	-92.7	-177.9	-178.1	79.3	5.4	0	0	0	114.4	G155 Q156 Y161 H162 Q163	G155-D159 WeakPolarHBondContact CA-OD2 3.37Å; Q156-D159 PolarHBondContact N-OD2 3.44Å; Q156-D159 VanDerWaalsContact O-CB 3.24Å; Q156-D159 WeakPolarHBondContact O-CB 3.32Å; Q156-D159 PolarHBondContact O-N 2.89Å; Q156-D159 VanDerWaalsContact O-N 3.08Å; D159-Y161 VanDerWaalsContact C-N 3.29Å; D159-Y161 PolarHBondContact O-N 2.87Å; D159-Y161 WeakPolarHBondContact OD1-CA 3.25Å; D159-Y161 WeakPolarHBondContact OD1-CB 3.39Å; D159-Y161 PolarHBondContact OD1-N 3.27Å; D159-H162 PolarHBondContact O-N 3.45Å; D159-H162 IonicContact OD1-CE1 2.86Å; D159-H162 IonicContact OD1-CG 2.68Å; D159-H162 PolarHBondContact OD1-N 3.22Å; D159-H162 IonicContact OD1-ND1 3.99Å; D159-H162 PolarHBondContact OD1-ND1 3.17Å; D159-H162 IonicContact OD2-ND1 3.53Å; D159-Q163 WeakPolarHBondContact O-CB 3.43Å; D159-Q163 WeakPolarHBondContact O-CG 3.27Å; D159-Q163 PolarHBondContact O-N 3.17Å
160	I	98.4	Very high	98.4	Very high	87 Å²	87	38.3 Å²	38.3	45%	0.446	20%	0.203	S	C	.	.	H	α-helix	trans	-60	-35.4	-178.9	-165.8	174.1	0	0	0	113.1	F98 T164	F98-I160 HydrophobicContact CB-CD1 4Å; F98-I160 HydrophobicContact CB-CG1 4.35Å; F98-I160 HydrophobicContact CD1-CD1 3.75Å; F98-I160 HydrophobicContact CD1-CG1 3.68Å; F98-I160 HydrophobicContact CD1-CG2 4.49Å; F98-I160 HydrophobicContact CD2-CD1 4.27Å; F98-I160 HydrophobicContact CE1-CD1 4.27Å; F98-I160 HydrophobicContact CE1-CG1 4.23Å; F98-I160 HydrophobicContact CE1-CG2 4.19Å; F98-I160 HydrophobicContact CG-CD1 3.74Å; F98-I160 HydrophobicContact CG-CG1 4.13Å; I160-T164 WeakPolarHBondContact O-CB 3.24Å; I160-T164 PolarHBondContact O-N 3.18Å; I160-T164 PolarHBondContact O-OG1 2.83Å
161	Y	98.7	Very high	98.4	Very high	63 Å²	63	36.6 Å²	36.6	25%	0.247	20%	0.196	C	C	.	.	H	α-helix	trans	-70.5	-45.9	-178	-60.9	-77	0	0	0	110.6	F98 L141 K154 D159 T164 W165	F98-Y161 AromaticContact CE1-CD1 3.72Å; F98-Y161 HydrophobicContact CE1-CD1 3.72Å; F98-Y161 AromaticContact CE1-CE1 3.66Å; F98-Y161 HydrophobicContact CE1-CE1 3.66Å; F98-Y161 HydrophobicContact CZ-CD1 4.27Å; F98-Y161 AromaticContact CZ-CE1 3.72Å; F98-Y161 HydrophobicContact CZ-CE1 3.72Å; L141-Y161 HydrophobicContact CD2-CD1 3.82Å; K154-Y161 HydrophobicContact CB-CD1 3.8Å; K154-Y161 HydrophobicContact CB-CD2 3.78Å; K154-Y161 HydrophobicContact CB-CE1 3.92Å; K154-Y161 HydrophobicContact CB-CE2 3.88Å; K154-Y161 HydrophobicContact CB-CG 3.75Å; K154-Y161 HydrophobicContact CD-CD1 4.19Å; K154-Y161 HydrophobicContact CD-CE1 3.68Å; K154-Y161 HydrophobicContact CG-CE1 4.45Å; K154-Y161 WeakPolarHBondContact O-CB 3.46Å; D159-Y161 VanDerWaalsContact C-N 3.29Å; D159-Y161 PolarHBondContact O-N 2.87Å; D159-Y161 WeakPolarHBondContact OD1-CA 3.25Å; D159-Y161 WeakPolarHBondContact OD1-CB 3.39Å; D159-Y161 PolarHBondContact OD1-N 3.27Å; Y161-T164 PolarHBondContact O-N 3.21Å; Y161-W165 PolarHBondContact O-N 3.41Å
162	H	98.8	Very high	98.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-72.1	-41.3	-178.9	-64.6	74.7	0	0	0	112	K154 Q156 D159 T164 W165 A166 H211 F215 D219	K154-H162 PolarHBondContact O-CE1 3.2Å; Q156-H162 PolarHBondContact N-CE1 2.77Å; Q156-H162 PolarHBondContact O-ND1 2.85Å; Q156-H162 VanDerWaalsContact O-ND1 3.1Å; D159-H162 PolarHBondContact O-N 3.45Å; D159-H162 IonicContact OD1-CE1 2.86Å; D159-H162 IonicContact OD1-CG 2.68Å; D159-H162 PolarHBondContact OD1-N 3.22Å; D159-H162 IonicContact OD1-ND1 3.99Å; D159-H162 PolarHBondContact OD1-ND1 3.17Å; D159-H162 IonicContact OD2-ND1 3.53Å; H162-T164 VanDerWaalsContact C-N 3.31Å; H162-T164 PolarHBondContact O-N 3.37Å; H162-W165 PolarHBondContact O-N 3.05Å; H162-A166 PolarHBondContact O-N 2.88Å; H162-H211 AromaticContact CD2-NE2 3.69Å; H162-H211 AromaticContact CE1-NE2 3.9Å; H162-H211 AromaticContact NE2-CD2 3.85Å; H162-H211 AromaticContact NE2-CE1 3.72Å; H162-H211 AromaticContact NE2-NE2 2.84Å; H162-H211 PolarHBondContact NE2-NE2 3.01Å; H162-F215 HydrophobicContact CB-CD2 4.16Å; H162-F215 HydrophobicContact CB-CE2 4.49Å; H162-F215 AromaticContact CD2-CD2 3.99Å; H162-D219 HydrophobicContact CB-CB 4.26Å; H162-D219 VanDerWaalsContact CB-CG 3.49Å; H162-D219 VanDerWaalsContact CB-OD2 3.25Å; H162-D219 WeakPolarHBondContact CB-OD2 3.03Å; H162-D219 IonicContact CG-OD2 3.21Å
163	Q	98.4	Very high	98.4	Very high	54 Å²	54	35.1 Å²	35.1	25%	0.252	18%	0.184	S	C	.	.	H	α-helix	trans	-63.3	-38.3	173.7	-70.8	-70	-21.2	0	0	111.8	D159 A166 R167 R218 D219	D159-Q163 WeakPolarHBondContact O-CB 3.43Å; D159-Q163 WeakPolarHBondContact O-CG 3.27Å; D159-Q163 PolarHBondContact O-N 3.17Å; Q163-A166 PolarHBondContact O-N 2.96Å; Q163-R167 WeakPolarHBondContact O-CG 3.1Å; Q163-R167 PolarHBondContact O-N 3.02Å; Q163-R167 PolarHBondContact O-NH1 2.85Å; Q163-R218 PolarHBondContact NE2-O 2.92Å; Q163-D219 VanDerWaalsContact CD-OD1 3.25Å; Q163-D219 WeakPolarHBondContact CG-OD1 3.32Å; Q163-D219 PolarHBondContact NE2-OD1 3.49Å
164	T	98.8	Very high	98.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-42.4	174.6	-59.5	0	0	0	0	111.1	F98 L100 W140 L141 I160 Y161 H162 R167 Y168	F98-T164 HydrophobicContact CD1-CG2 4.48Å; F98-T164 PolarHBondContact O-OG1 3.12Å; L100-T164 HydrophobicContact CD1-CG2 4.42Å; L100-T164 HydrophobicContact CD2-CG2 3.99Å; L100-T164 HydrophobicContact CG-CG2 4.14Å; W140-T164 HydrophobicContact CH2-CG2 3.84Å; W140-T164 HydrophobicContact CZ3-CG2 4.41Å; L141-T164 HydrophobicContact CD1-CG2 4.38Å; L141-T164 HydrophobicContact CD2-CG2 4.25Å; I160-T164 WeakPolarHBondContact O-CB 3.24Å; I160-T164 PolarHBondContact O-N 3.18Å; I160-T164 PolarHBondContact O-OG1 2.83Å; Y161-T164 PolarHBondContact O-N 3.21Å; H162-T164 VanDerWaalsContact C-N 3.31Å; H162-T164 PolarHBondContact O-N 3.37Å; T164-R167 PolarHBondContact O-N 2.68Å; T164-R167 PolarHBondContact OG1-NH2 2.81Å; T164-Y168 PolarHBondContact O-N 3.16Å
165	W	98.8	Very high	98.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-42.6	174.7	-173.5	-129.7	0	0	0	112.1	P134 S137 L141 L153 Y161 H162 R167 Y168 F169 L205 F215	P134-W165 HydrophobicContact CB-CH2 3.83Å; P134-W165 HydrophobicContact CB-CZ2 3.74Å; P134-W165 HydrophobicContact CG-CH2 4.33Å; P134-W165 HydrophobicContact CG-CZ2 3.77Å; S137-W165 VanDerWaalsContact CA-CZ3 3.47Å; L141-W165 HydrophobicContact CD1-CB 4.46Å; L141-W165 HydrophobicContact CD1-CE3 4.35Å; L153-W165 HydrophobicContact CD1-CB 4.05Å; L153-W165 HydrophobicContact CD1-CG 4.02Å; L153-W165 HydrophobicContact CD2-CB 4.21Å; L153-W165 HydrophobicContact CD2-CG 4.18Å; Y161-W165 PolarHBondContact O-N 3.41Å; H162-W165 PolarHBondContact O-N 3.05Å; W165-R167 PolarHBondContact O-N 2.72Å; W165-Y168 AromaticContact CE3-CD1 3.96Å; W165-Y168 HydrophobicContact CE3-CD1 3.96Å; W165-Y168 HydrophobicContact CE3-CD2 4.45Å; W165-Y168 AromaticContact CE3-CG 3.85Å; W165-Y168 HydrophobicContact CE3-CG 3.85Å; W165-Y168 AromaticContact CH2-CD1 3.95Å; W165-Y168 HydrophobicContact CH2-CD1 3.95Å; W165-Y168 AromaticContact CH2-CE1 3.99Å; W165-Y168 HydrophobicContact CH2-CE1 3.99Å; W165-Y168 AromaticContact CZ3-CD1 3.33Å; W165-Y168 HydrophobicContact CZ3-CD1 3.33Å; W165-Y168 HydrophobicContact CZ3-CD2 4.1Å; W165-Y168 AromaticContact CZ3-CE1 3.61Å; W165-Y168 HydrophobicContact CZ3-CE1 3.61Å; W165-Y168 HydrophobicContact CZ3-CE2 4.32Å; W165-Y168 AromaticContact CZ3-CG 3.59Å; W165-Y168 HydrophobicContact CZ3-CG 3.59Å; W165-Y168 VanDerWaalsContact O-CB 3.23Å; W165-Y168 WeakPolarHBondContact O-CB 3.35Å; W165-Y168 PolarHBondContact O-N 2.65Å; W165-Y168 VanDerWaalsContact O-N 3.12Å; W165-F169 HydrophobicContact CD2-CE2 4.21Å; W165-F169 AromaticContact CE2-CE2 3.64Å; W165-F169 AromaticContact CZ2-CE2 3.9Å; W165-F169 HydrophobicContact CZ2-CE2 3.9Å; W165-F169 HydrophobicContact CZ2-CZ 4.39Å; W165-F169 AromaticContact NE1-CE2 3.63Å; W165-F169 WeakPolarHBondContact O-CD2 3.5Å; W165-F169 PolarHBondContact O-N 3.37Å; W165-L205 HydrophobicContact CZ2-CD2 4.16Å; W165-F215 HydrophobicContact CB-CE2 4.47Å; W165-F215 AromaticContact CD1-CE1 3.88Å; W165-F215 AromaticContact CD1-CE2 3.82Å; W165-F215 AromaticContact CD1-CZ 3.28Å; W165-F215 HydrophobicContact CG-CZ 4.19Å; W165-F215 AromaticContact NE1-CZ 3.99Å
166	A	98.4	Very high	98.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.9	-41.5	173.9	0	0	0	0	0	112.6	H162 Q163 Y168 F169 F215 D219 L220 T223	H162-A166 PolarHBondContact O-N 2.88Å; Q163-A166 PolarHBondContact O-N 2.96Å; A166-Y168 VanDerWaalsContact C-N 3.28Å; A166-Y168 PolarHBondContact O-N 3.11Å; A166-F169 WeakPolarHBondContact O-CB 3.13Å; A166-F169 PolarHBondContact O-N 3.13Å; A166-F215 HydrophobicContact CB-CE2 4.29Å; A166-D219 HydrophobicContact CB-CB 4.02Å; A166-L220 HydrophobicContact CB-CD1 4.42Å; A166-T223 HydrophobicContact CB-CG2 4.05Å
167	R	98.5	Very high	98.4	Very high	79 Å²	79	28.5 Å²	28.5	30%	0.298	16%	0.155	S	C	.	.	H	α-helix	trans	-65.2	-29.6	174.2	-72.2	-167.7	-56.5	-83.2	0.9	113.1	F98 L100 Q163 T164 W165 F169 V170 K171 T223	F98-R167 PolarHBondContact O-NH2 3.36Å; L100-R167 HydrophobicContact CD1-CB 3.87Å; Q163-R167 WeakPolarHBondContact O-CG 3.1Å; Q163-R167 PolarHBondContact O-N 3.02Å; Q163-R167 PolarHBondContact O-NH1 2.85Å; T164-R167 PolarHBondContact O-N 2.68Å; T164-R167 PolarHBondContact OG1-NH2 2.81Å; W165-R167 PolarHBondContact O-N 2.72Å; R167-F169 VanDerWaalsContact C-N 3.29Å; R167-F169 PolarHBondContact O-N 2.83Å; R167-V170 PolarHBondContact O-N 3.4Å; R167-V170 VanDerWaalsContact O-N 3.16Å; R167-K171 WeakPolarHBondContact O-CG 3.42Å; R167-K171 PolarHBondContact O-N 2.78Å; R167-T223 HydrophobicContact CG-CG2 4.35Å
168	Y	98.8	Very high	98.4	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-60.7	-38.1	174.8	-176.4	-79.4	0	0	0	111.6	M79 Y91 A92 L100 F103 P138 T164 W165 A166 K171 F172	M79-Y168 HydrophobicContact CE-CD1 4.15Å; M79-Y168 HydrophobicContact CE-CE1 4.17Å; Y91-Y168 VanDerWaalsContact CB-OH 3.32Å; Y91-Y168 WeakPolarHBondContact CB-OH 3.26Å; Y91-Y168 AromaticContact CD2-CE1 3.76Å; Y91-Y168 HydrophobicContact CD2-CE1 3.76Å; Y91-Y168 HydrophobicContact CD2-CE2 4.37Å; Y91-Y168 AromaticContact CD2-CZ 3.48Å; Y91-Y168 VanDerWaalsContact CD2-CZ 3.48Å; Y91-Y168 WeakPolarHBondContact CD2-OH 3.27Å; Y91-Y168 HydrophobicContact CE2-CE1 4.47Å; Y91-Y168 AromaticContact CG-CZ 3.94Å; Y91-Y168 VanDerWaalsContact CG-OH 3.31Å; Y91-Y168 PolarHBondContact N-OH 2.76Å; A92-Y168 HydrophobicContact CB-CD2 4.22Å; A92-Y168 HydrophobicContact CB-CE2 3.98Å; L100-Y168 HydrophobicContact CD2-CD2 4.3Å; F103-Y168 AromaticContact CD2-CD2 3.83Å; F103-Y168 HydrophobicContact CD2-CD2 3.83Å; F103-Y168 AromaticContact CD2-CE2 3.96Å; F103-Y168 HydrophobicContact CD2-CE2 3.96Å; F103-Y168 HydrophobicContact CD2-CG 4.45Å; F103-Y168 HydrophobicContact CE2-CD1 4.24Å; F103-Y168 AromaticContact CE2-CD2 3.68Å; F103-Y168 HydrophobicContact CE2-CD2 3.68Å; F103-Y168 HydrophobicContact CE2-CE1 4.23Å; F103-Y168 AromaticContact CE2-CE2 3.68Å; F103-Y168 HydrophobicContact CE2-CE2 3.68Å; F103-Y168 AromaticContact CE2-CG 3.98Å; F103-Y168 HydrophobicContact CE2-CG 3.98Å; F103-Y168 AromaticContact CE2-CZ 3.98Å; P138-Y168 HydrophobicContact CG-CD2 4.31Å; P138-Y168 HydrophobicContact CG-CE2 3.99Å; T164-Y168 PolarHBondContact O-N 3.16Å; W165-Y168 AromaticContact CE3-CD1 3.96Å; W165-Y168 HydrophobicContact CE3-CD1 3.96Å; W165-Y168 HydrophobicContact CE3-CD2 4.45Å; W165-Y168 AromaticContact CE3-CG 3.85Å; W165-Y168 HydrophobicContact CE3-CG 3.85Å; W165-Y168 AromaticContact CH2-CD1 3.95Å; W165-Y168 HydrophobicContact CH2-CD1 3.95Å; W165-Y168 AromaticContact CH2-CE1 3.99Å; W165-Y168 HydrophobicContact CH2-CE1 3.99Å; W165-Y168 AromaticContact CZ3-CD1 3.33Å; W165-Y168 HydrophobicContact CZ3-CD1 3.33Å; W165-Y168 HydrophobicContact CZ3-CD2 4.1Å; W165-Y168 AromaticContact CZ3-CE1 3.61Å; W165-Y168 HydrophobicContact CZ3-CE1 3.61Å; W165-Y168 HydrophobicContact CZ3-CE2 4.32Å; W165-Y168 AromaticContact CZ3-CG 3.59Å; W165-Y168 HydrophobicContact CZ3-CG 3.59Å; W165-Y168 VanDerWaalsContact O-CB 3.23Å; W165-Y168 WeakPolarHBondContact O-CB 3.35Å; W165-Y168 PolarHBondContact O-N 2.65Å; W165-Y168 VanDerWaalsContact O-N 3.12Å; A166-Y168 VanDerWaalsContact C-N 3.28Å; A166-Y168 PolarHBondContact O-N 3.11Å; Y168-K171 PolarHBondContact O-N 2.93Å; Y168-F172 WeakPolarHBondContact O-CB 3.28Å; Y168-F172 PolarHBondContact O-N 2.83Å
169	F	98.6	Very high	98.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.8	-45.2	172.5	-78.2	-106.2	0	0	0	111.8	M79 P134 W165 A166 R167 F172 L173 V186 T187 L220	M79-F169 HydrophobicContact CE-CB 4.48Å; M79-F169 HydrophobicContact CE-CD1 3.71Å; M79-F169 HydrophobicContact CE-CD2 4.35Å; M79-F169 HydrophobicContact CE-CE1 3.99Å; M79-F169 HydrophobicContact CE-CG 3.92Å; M79-F169 HydrophobicContact CE-CZ 4.45Å; M79-F169 HydrophobicContact SD-CD1 4.01Å; M79-F169 HydrophobicContact SD-CE1 3.91Å; P134-F169 HydrophobicContact CG-CE1 4.08Å; P134-F169 HydrophobicContact CG-CE2 4.34Å; P134-F169 HydrophobicContact CG-CZ 3.56Å; W165-F169 HydrophobicContact CD2-CE2 4.21Å; W165-F169 AromaticContact CE2-CE2 3.64Å; W165-F169 AromaticContact CZ2-CE2 3.9Å; W165-F169 HydrophobicContact CZ2-CE2 3.9Å; W165-F169 HydrophobicContact CZ2-CZ 4.39Å; W165-F169 AromaticContact NE1-CE2 3.63Å; W165-F169 WeakPolarHBondContact O-CD2 3.5Å; W165-F169 PolarHBondContact O-N 3.37Å; A166-F169 WeakPolarHBondContact O-CB 3.13Å; A166-F169 PolarHBondContact O-N 3.13Å; R167-F169 VanDerWaalsContact C-N 3.29Å; R167-F169 PolarHBondContact O-N 2.83Å; F169-F172 WeakPolarHBondContact O-CB 3.43Å; F169-F172 PolarHBondContact O-N 3.49Å; F169-L173 VanDerWaalsContact O-CG 3.32Å; F169-L173 WeakPolarHBondContact O-CG 3.48Å; F169-L173 PolarHBondContact O-N 3.18Å; F169-V186 HydrophobicContact CD1-CB 4.35Å; F169-V186 HydrophobicContact CD1-CG2 4.24Å; F169-V186 HydrophobicContact CE1-CB 4.42Å; F169-V186 HydrophobicContact CE1-CG2 4.47Å; F169-T187 WeakPolarHBondContact CE1-O 3.38Å; F169-L220 HydrophobicContact CB-CD1 3.99Å; F169-L220 HydrophobicContact CD1-CD1 4.11Å; F169-L220 HydrophobicContact CD2-CD1 3.78Å; F169-L220 HydrophobicContact CE1-CD2 4.43Å; F169-L220 HydrophobicContact CE2-CD1 4.22Å; F169-L220 HydrophobicContact CG-CD1 3.71Å; F169-L220 HydrophobicContact CZ-CD2 4.3Å
170	V	98.2	Very high	98.4	Very high	23 Å²	23	43.6 Å²	43.6	14%	0.139	21%	0.208	C	C	.	.	H	α-helix	trans	-63	-45.1	178.3	175.6	0	0	0	0	110.8	R167 F172 L173 D174 T223 L224	R167-V170 PolarHBondContact O-N 3.4Å; R167-V170 VanDerWaalsContact O-N 3.16Å; V170-F172 VanDerWaalsContact C-N 3.3Å; V170-F172 PolarHBondContact O-N 3.11Å; V170-L173 PolarHBondContact O-N 2.92Å; V170-L173 VanDerWaalsContact O-N 3.13Å; V170-D174 WeakPolarHBondContact O-CB 3.44Å; V170-D174 VanDerWaalsContact O-CG 3.29Å; V170-D174 PolarHBondContact O-N 2.98Å; V170-T223 HydrophobicContact CG2-CG2 3.73Å; V170-L224 HydrophobicContact CG2-CD2 4.22Å
171	K	98.4	Very high	98.2	Very high	88 Å²	88	39.6 Å²	39.6	38%	0.383	19%	0.188	S	C	.	.	H	α-helix	trans	-59.5	-38.9	175.7	-75.1	-68.1	-169.8	176.8	0	112.8	L100 F103 R167 Y168 A175	L100-K171 HydrophobicContact CB-CG 4.38Å; L100-K171 HydrophobicContact CD1-CG 4.05Å; F103-K171 HydrophobicContact CD1-CB 3.83Å; F103-K171 HydrophobicContact CD2-CB 3.71Å; F103-K171 HydrophobicContact CD2-CG 4.4Å; F103-K171 HydrophobicContact CE1-CB 3.84Å; F103-K171 WeakPolarHBondContact CE1-O 3.47Å; F103-K171 HydrophobicContact CE2-CB 3.68Å; F103-K171 HydrophobicContact CG-CB 3.79Å; F103-K171 HydrophobicContact CG-CG 4.31Å; F103-K171 HydrophobicContact CZ-CB 3.78Å; R167-K171 WeakPolarHBondContact O-CG 3.42Å; R167-K171 PolarHBondContact O-N 2.78Å; Y168-K171 PolarHBondContact O-N 2.93Å; K171-A175 WeakPolarHBondContact O-CB 3.38Å; K171-A175 PolarHBondContact O-N 3.23Å
172	F	98.6	Very high	98.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.5	-47.3	173.2	164.5	-99.9	0	0	0	112.1	M79 Y91 F103 A132 Y168 F169 V170 A175 Y176 F183	M79-F172 HydrophobicContact CB-CE2 4.44Å; M79-F172 HydrophobicContact CE-CB 3.99Å; M79-F172 HydrophobicContact CE-CD1 3.92Å; M79-F172 HydrophobicContact CE-CG 3.93Å; M79-F172 HydrophobicContact CG-CD1 3.98Å; M79-F172 HydrophobicContact CG-CD2 4.1Å; M79-F172 HydrophobicContact CG-CE1 3.8Å; M79-F172 HydrophobicContact CG-CE2 3.87Å; M79-F172 HydrophobicContact CG-CG 4.12Å; M79-F172 HydrophobicContact CG-CZ 3.72Å; M79-F172 HydrophobicContact SD-CD1 4.1Å; M79-F172 HydrophobicContact SD-CE1 4.23Å; Y91-F172 HydrophobicContact CD2-CD2 4.3Å; Y91-F172 AromaticContact CE2-CD2 3.47Å; Y91-F172 HydrophobicContact CE2-CD2 3.47Å; Y91-F172 VanDerWaalsContact CE2-CD2 3.47Å; Y91-F172 HydrophobicContact CE2-CE2 4.08Å; Y91-F172 HydrophobicContact CE2-CG 4.37Å; F103-F172 HydrophobicContact CZ-CB 4.02Å; A132-F172 HydrophobicContact CB-CE1 3.53Å; A132-F172 HydrophobicContact CB-CZ 3.73Å; Y168-F172 WeakPolarHBondContact O-CB 3.28Å; Y168-F172 PolarHBondContact O-N 2.83Å; F169-F172 WeakPolarHBondContact O-CB 3.43Å; F169-F172 PolarHBondContact O-N 3.49Å; V170-F172 VanDerWaalsContact C-N 3.3Å; V170-F172 PolarHBondContact O-N 3.11Å; F172-A175 PolarHBondContact O-N 3.25Å; F172-Y176 AromaticContact CD2-CD2 3.83Å; F172-Y176 HydrophobicContact CD2-CD2 3.83Å; F172-Y176 AromaticContact CD2-CE2 3.88Å; F172-Y176 HydrophobicContact CD2-CE2 3.88Å; F172-Y176 AromaticContact CE2-CD2 3.48Å; F172-Y176 HydrophobicContact CE2-CD2 3.48Å; F172-Y176 VanDerWaalsContact CE2-CD2 3.48Å; F172-Y176 AromaticContact CE2-CE2 3.26Å; F172-Y176 HydrophobicContact CE2-CE2 3.26Å; F172-Y176 HydrophobicContact CE2-CG 4.31Å; F172-Y176 AromaticContact CE2-CZ 3.92Å; F172-Y176 HydrophobicContact CZ-CD2 4.01Å; F172-Y176 HydrophobicContact CZ-CE2 4Å; F172-Y176 HydrophobicContact CZ-CG 4.41Å; F172-Y176 PolarHBondContact O-N 2.87Å; F172-F183 HydrophobicContact CE1-CD2 4.19Å; F172-F183 HydrophobicContact CE1-CE1 4.18Å; F172-F183 AromaticContact CE1-CE2 3.68Å; F172-F183 HydrophobicContact CE1-CE2 3.68Å; F172-F183 AromaticContact CE1-CZ 3.69Å; F172-F183 HydrophobicContact CE1-CZ 3.69Å; F172-F183 HydrophobicContact CZ-CE1 4.1Å; F172-F183 AromaticContact CZ-CE2 3.74Å; F172-F183 HydrophobicContact CZ-CE2 3.74Å; F172-F183 AromaticContact CZ-CZ 3.41Å; F172-F183 HydrophobicContact CZ-CZ 3.41Å; F172-F183 VanDerWaalsContact CZ-CZ 3.41Å
173	L	98.4	Very high	97.9	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-64.8	-40.5	178.7	-66.8	171.1	0	0	0	111.6	F169 V170 A177 F183 V186 L224 H229 V232	F169-L173 VanDerWaalsContact O-CG 3.32Å; F169-L173 WeakPolarHBondContact O-CG 3.48Å; F169-L173 PolarHBondContact O-N 3.18Å; V170-L173 PolarHBondContact O-N 2.92Å; V170-L173 VanDerWaalsContact O-N 3.13Å; L173-A177 VanDerWaalsContact O-CB 3.24Å; L173-A177 WeakPolarHBondContact O-CB 3.39Å; L173-A177 PolarHBondContact O-N 3.39Å; L173-F183 HydrophobicContact CD2-CB 3.82Å; L173-F183 HydrophobicContact CD2-CD2 3.59Å; L173-F183 HydrophobicContact CD2-CE2 4.45Å; L173-F183 HydrophobicContact CD2-CG 3.86Å; L173-V186 HydrophobicContact CD2-CG1 4.22Å; L173-L224 HydrophobicContact CD1-CD2 3.77Å; L173-H229 HydrophobicContact CB-CB 4.38Å; L173-H229 VanDerWaalsContact CB-CD2 3.48Å; L173-H229 WeakPolarHBondContact CB-CD2 3.34Å; L173-H229 HydrophobicContact CD1-CB 3.72Å; L173-V232 HydrophobicContact CD1-CG1 4.48Å; L173-V232 HydrophobicContact CD1-CG2 4.25Å; L173-V232 HydrophobicContact CD2-CG2 4.39Å
174	D	98.2	Very high	97.8	Very high	49 Å²	49	45.7 Å²	45.7	26%	0.262	22%	0.216	S	C	.	.	H	α-helix	trans	-58.6	-51.5	173.3	-72.6	-26.5	0	0	0	110.8	V170 Y176 A177 E178 H229	V170-D174 WeakPolarHBondContact O-CB 3.44Å; V170-D174 VanDerWaalsContact O-CG 3.29Å; V170-D174 PolarHBondContact O-N 2.98Å; D174-Y176 PolarHBondContact O-N 2.96Å; D174-A177 WeakPolarHBondContact O-CB 3.24Å; D174-A177 PolarHBondContact O-N 3.39Å; D174-A177 VanDerWaalsContact O-N 3.08Å; D174-E178 PolarHBondContact O-N 2.78Å; D174-H229 PolarHBondContact N-NE2 2.87Å; D174-H229 IonicContact OD1-CD2 3.07Å; D174-H229 IonicContact OD1-CE1 3.21Å; D174-H229 IonicContact OD1-NE2 3.53Å; D174-H229 PolarHBondContact OD1-NE2 2.66Å
175	A	98.4	Very high	97.4	Very high	14 Å²	14	45.7 Å²	45.7	12%	0.116	22%	0.216	C	C	.	.	H	α-helix	trans	-62.3	-41.7	-178	0	0	0	0	0	112.2	F103 L105 K171 F172 A177 E178 H179	F103-A175 HydrophobicContact CE1-CB 4.14Å; L105-A175 HydrophobicContact CD1-CB 3.66Å; L105-A175 HydrophobicContact CD2-CB 4.26Å; L105-A175 HydrophobicContact CG-CB 3.77Å; K171-A175 WeakPolarHBondContact O-CB 3.38Å; K171-A175 PolarHBondContact O-N 3.23Å; F172-A175 PolarHBondContact O-N 3.25Å; A175-A177 VanDerWaalsContact C-N 3.34Å; A175-E178 WeakPolarHBondContact O-CB 3.31Å; A175-E178 PolarHBondContact O-N 3.27Å; A175-H179 PolarHBondContact O-CD2 3.01Å; A175-H179 PolarHBondContact O-N 3.49Å
176	Y	98.2	Very high	97.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-69.5	-31.5	174.5	-92.4	-110.9	0	0	0	112.9	V77 L105 D109 K113 I114 I117 F172 D174 H179 K180 L181 F183	V77-Y176 HydrophobicContact CG1-CE1 4.15Å; L105-Y176 HydrophobicContact CD1-CD2 3.82Å; L105-Y176 HydrophobicContact CD1-CE2 3.85Å; L105-Y176 HydrophobicContact CD2-CD2 4.28Å; L105-Y176 HydrophobicContact CD2-CE2 3.94Å; D109-Y176 PolarHBondContact OD1-OH 3.3Å; K113-Y176 WeakPolarHBondContact CE-OH 3.16Å; K113-Y176 PolarHBondContact NZ-OH 3.21Å; I114-Y176 HydrophobicContact CD1-CD1 4.46Å; I114-Y176 HydrophobicContact CD1-CE1 4.21Å; I114-Y176 HydrophobicContact CD1-CE2 4.28Å; I114-Y176 HydrophobicContact CG1-CD1 4.24Å; I114-Y176 HydrophobicContact CG1-CE1 3.72Å; I117-Y176 HydrophobicContact CD1-CE1 4.3Å; F172-Y176 AromaticContact CD2-CD2 3.83Å; F172-Y176 HydrophobicContact CD2-CD2 3.83Å; F172-Y176 AromaticContact CD2-CE2 3.88Å; F172-Y176 HydrophobicContact CD2-CE2 3.88Å; F172-Y176 AromaticContact CE2-CD2 3.48Å; F172-Y176 HydrophobicContact CE2-CD2 3.48Å; F172-Y176 VanDerWaalsContact CE2-CD2 3.48Å; F172-Y176 AromaticContact CE2-CE2 3.26Å; F172-Y176 HydrophobicContact CE2-CE2 3.26Å; F172-Y176 HydrophobicContact CE2-CG 4.31Å; F172-Y176 AromaticContact CE2-CZ 3.92Å; F172-Y176 HydrophobicContact CZ-CD2 4.01Å; F172-Y176 HydrophobicContact CZ-CE2 4Å; F172-Y176 HydrophobicContact CZ-CG 4.41Å; F172-Y176 PolarHBondContact O-N 2.87Å; D174-Y176 PolarHBondContact O-N 2.96Å; Y176-H179 CarbonylContact O-C 3.38Å; Y176-H179 WeakPolarHBondContact O-CA 3.25Å; Y176-H179 PolarHBondContact O-N 2.95Å; Y176-H179 VanDerWaalsContact O-N 3.13Å; Y176-K180 PolarHBondContact O-N 3.49Å; Y176-L181 CarbonylContact C-O 3.57Å; Y176-L181 HydrophobicContact CD1-CB 4.1Å; Y176-L181 HydrophobicContact CD1-CD1 3.77Å; Y176-L181 HydrophobicContact CE1-CD1 4.09Å; Y176-L181 PolarHBondContact O-N 3.04Å; Y176-F183 AromaticContact CD1-CE2 3.56Å; Y176-F183 HydrophobicContact CD1-CE2 3.56Å; Y176-F183 AromaticContact CD1-CZ 3.72Å; Y176-F183 HydrophobicContact CD1-CZ 3.72Å; Y176-F183 HydrophobicContact CE1-CE2 4.33Å; Y176-F183 HydrophobicContact CE1-CZ 4.04Å; Y176-F183 AromaticContact CG-CE2 3.67Å; Y176-F183 HydrophobicContact CG-CE2 3.67Å; Y176-F183 HydrophobicContact CG-CZ 4.16Å
177	A	97.8	Very high	97	Very high	41 Å²	41	45.7 Å²	45.7	34%	0.339	22%	0.216	S	C	.	.	H	α-helix	trans	-66.8	-35.4	174.4	0	0	0	0	0	112.2	L173 D174 A175 H179 K180 L181	L173-A177 VanDerWaalsContact O-CB 3.24Å; L173-A177 WeakPolarHBondContact O-CB 3.39Å; L173-A177 PolarHBondContact O-N 3.39Å; D174-A177 WeakPolarHBondContact O-CB 3.24Å; D174-A177 PolarHBondContact O-N 3.39Å; D174-A177 VanDerWaalsContact O-N 3.08Å; A175-A177 VanDerWaalsContact C-N 3.34Å; A177-H179 PolarHBondContact O-N 2.86Å; A177-K180 WeakPolarHBondContact O-CA 3.31Å; A177-K180 PolarHBondContact O-N 3.17Å; A177-L181 WeakPolarHBondContact CA-O 3.37Å; A177-L181 PolarHBondContact N-O 3.33Å
178	E	98	Very high	96.9	Very high	160 Å²	160	42 Å²	42	75%	0.748	20%	0.202	S	C	*	.	H	α-helix	trans	-59	-33.2	170.5	-69.2	175.6	-171	0	0	111.7	D174 A175 K180	D174-E178 PolarHBondContact O-N 2.78Å; A175-E178 WeakPolarHBondContact O-CB 3.31Å; A175-E178 PolarHBondContact O-N 3.27Å; E178-K180 PolarHBondContact O-N 3.18Å
179	H	97.6	Very high	96.8	Very high	70 Å²	70	42 Å²	42	32%	0.324	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	13.9	171.9	-69.9	-78.1	0	0	0	114.2	I114 H118 A175 Y176 A177 L181	I114-H179 HydrophobicContact CD1-CB 4.06Å; I114-H179 HydrophobicContact CG2-CB 3.83Å; H118-H179 PolarHBondContact CE1-O 3.28Å; H118-H179 VanDerWaalsContact CE1-O 3.27Å; H118-H179 PolarHBondContact NE2-O 3.39Å; A175-H179 PolarHBondContact O-CD2 3.01Å; A175-H179 PolarHBondContact O-N 3.49Å; Y176-H179 CarbonylContact O-C 3.38Å; Y176-H179 WeakPolarHBondContact O-CA 3.25Å; Y176-H179 PolarHBondContact O-N 2.95Å; Y176-H179 VanDerWaalsContact O-N 3.13Å; A177-H179 PolarHBondContact O-N 2.86Å; H179-L181 VanDerWaalsContact C-N 3.28Å; H179-L181 PolarHBondContact O-N 3.48Å
180	K	97.8	Very high	96.4	Very high	183 Å²	183	42.3 Å²	42.3	80%	0.796	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	31.4	178.7	-51.8	178.6	-178.6	178.3	0	114	Y176 A177 E178	Y176-K180 PolarHBondContact O-N 3.49Å; A177-K180 WeakPolarHBondContact O-CA 3.31Å; A177-K180 PolarHBondContact O-N 3.17Å; E178-K180 PolarHBondContact O-N 3.18Å
181	L	95.7	Very high	96.1	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	21%	0.207	C	C	.	.			trans	-111.4	131.8	173.6	-65.1	177.2	0	0	0	109.8	I114 I117 H118 L121 L130 Y176 A177 H179	I114-L181 HydrophobicContact CB-CD1 4.28Å; I114-L181 HydrophobicContact CG1-CD1 4.04Å; I114-L181 HydrophobicContact CG2-CD1 3.98Å; I117-L181 HydrophobicContact CB-CD1 4.19Å; I117-L181 HydrophobicContact CD1-CD1 4.27Å; I117-L181 HydrophobicContact CG2-CD1 3.94Å; I117-L181 HydrophobicContact CG2-CD2 3.65Å; I117-L181 HydrophobicContact CG2-CG 4.45Å; H118-L181 VanDerWaalsContact CE1-CD2 3.46Å; H118-L181 WeakPolarHBondContact CE1-CD2 3.21Å; L121-L181 HydrophobicContact CD1-CD2 3.58Å; L130-L181 HydrophobicContact CD1-CB 4.01Å; L130-L181 HydrophobicContact CD1-CD2 4.26Å; Y176-L181 CarbonylContact C-O 3.57Å; Y176-L181 HydrophobicContact CD1-CB 4.1Å; Y176-L181 HydrophobicContact CD1-CD1 3.77Å; Y176-L181 HydrophobicContact CE1-CD1 4.09Å; Y176-L181 PolarHBondContact O-N 3.04Å; A177-L181 WeakPolarHBondContact CA-O 3.37Å; A177-L181 PolarHBondContact N-O 3.33Å; H179-L181 VanDerWaalsContact C-N 3.28Å; H179-L181 PolarHBondContact O-N 3.48Å
182	Q	96.1	Very high	96	Very high	171 Å²	171	39 Å²	39	80%	0.799	19%	0.188	S	C	*	.			trans	-116.7	137.5	178.2	-70.2	-172.8	-20.7	0	0	110.5
183	F	95.2	Very high	95.9	Very high	18 Å²	18	40.1 Å²	40.1	8%	0.079	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	137.8	177.6	-75.5	-91.7	0	0	0	111.4	V77 L130 A132 F172 L173 Y176 V232	V77-F183 HydrophobicContact CB-CE1 4.02Å; V77-F183 HydrophobicContact CB-CZ 4.25Å; V77-F183 HydrophobicContact CG1-CZ 4.44Å; V77-F183 HydrophobicContact CG2-CE1 4.1Å; V77-F183 HydrophobicContact CG2-CZ 4.37Å; L130-F183 HydrophobicContact CB-CD1 3.59Å; L130-F183 HydrophobicContact CB-CE1 3.72Å; L130-F183 HydrophobicContact CB-CG 4.18Å; L130-F183 HydrophobicContact CB-CZ 4.44Å; L130-F183 HydrophobicContact CD1-CZ 4.49Å; A132-F183 HydrophobicContact CB-CD1 3.75Å; A132-F183 HydrophobicContact CB-CE1 3.45Å; A132-F183 VanDerWaalsContact CB-CE1 3.45Å; A132-F183 HydrophobicContact CB-CZ 4.15Å; F172-F183 HydrophobicContact CE1-CD2 4.19Å; F172-F183 HydrophobicContact CE1-CE1 4.18Å; F172-F183 AromaticContact CE1-CE2 3.68Å; F172-F183 HydrophobicContact CE1-CE2 3.68Å; F172-F183 AromaticContact CE1-CZ 3.69Å; F172-F183 HydrophobicContact CE1-CZ 3.69Å; F172-F183 HydrophobicContact CZ-CE1 4.1Å; F172-F183 AromaticContact CZ-CE2 3.74Å; F172-F183 HydrophobicContact CZ-CE2 3.74Å; F172-F183 AromaticContact CZ-CZ 3.41Å; F172-F183 HydrophobicContact CZ-CZ 3.41Å; F172-F183 VanDerWaalsContact CZ-CZ 3.41Å; L173-F183 HydrophobicContact CD2-CB 3.82Å; L173-F183 HydrophobicContact CD2-CD2 3.59Å; L173-F183 HydrophobicContact CD2-CE2 4.45Å; L173-F183 HydrophobicContact CD2-CG 3.86Å; Y176-F183 AromaticContact CD1-CE2 3.56Å; Y176-F183 HydrophobicContact CD1-CE2 3.56Å; Y176-F183 AromaticContact CD1-CZ 3.72Å; Y176-F183 HydrophobicContact CD1-CZ 3.72Å; Y176-F183 HydrophobicContact CE1-CE2 4.33Å; Y176-F183 HydrophobicContact CE1-CZ 4.04Å; Y176-F183 AromaticContact CG-CE2 3.67Å; Y176-F183 HydrophobicContact CG-CE2 3.67Å; Y176-F183 HydrophobicContact CG-CZ 4.16Å; F183-V232 HydrophobicContact CB-CG1 4.33Å; F183-V232 HydrophobicContact CB-CG2 4.45Å
184	W	94.8	Very high	95.6	Very high	57 Å²	57	40 Å²	40	22%	0.216	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-42	166.9	161.7	56.8	0	0	0	110.3	I74 L130 R233	I74-W184 HydrophobicContact CD1-CZ3 4.28Å; L130-W184 WeakPolarHBondContact O-CB 3.41Å; L130-W184 PolarHBondContact O-N 3.26Å; W184-R233 WeakPolarHBondContact O-CB 3.33Å; W184-R233 WeakPolarHBondContact O-CG 3.43Å; W184-R233 PolarHBondContact O-N 3.47Å
185	A	91.8	Very high	95.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	160.8	-174.7	0	0	0	0	0	112.8	L130 L131 A132 R233 L235	L130-A185 PolarHBondContact O-N 3.04Å; L131-A185 WeakPolarHBondContact CA-O 3.46Å; L131-A185 HydrophobicContact CD1-CB 3.56Å; A132-A185 PolarHBondContact N-O 3.38Å; A185-R233 CarbonylContact C-O 3.43Å; A185-R233 WeakPolarHBondContact CA-O 3.41Å; A185-R233 HydrophobicContact CB-CB 3.91Å; A185-R233 WeakPolarHBondContact CB-O 3.18Å; A185-L235 HydrophobicContact CB-CD1 4.19Å; A185-L235 HydrophobicContact CB-CG 4.28Å
186	V	94.9	Very high	95.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	150.7	164.1	-63.4	0	0	0	0	109.6	A132 F169 L173 L224 V232 R233 L234 L235	A132-V186 HydrophobicContact CB-CG1 4.19Å; A132-V186 CarbonylContact O-C 3.6Å; A132-V186 WeakPolarHBondContact O-CA 3.2Å; F169-V186 HydrophobicContact CD1-CB 4.35Å; F169-V186 HydrophobicContact CD1-CG2 4.24Å; F169-V186 HydrophobicContact CE1-CB 4.42Å; F169-V186 HydrophobicContact CE1-CG2 4.47Å; L173-V186 HydrophobicContact CD2-CG1 4.22Å; V186-L224 HydrophobicContact CG2-CD1 4.18Å; V186-V232 HydrophobicContact CG1-CG1 4.01Å; V186-V232 HydrophobicContact CG2-CG1 4.26Å; V186-R233 PolarHBondContact N-O 3.15Å; V186-L234 HydrophobicContact CG2-CD1 3.89Å; V186-L235 PolarHBondContact O-N 2.78Å
187	T	93.3	Very high	95.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	152	166.4	80.9	0	0	0	0	110.5	L131 A132 S133 F169 E189 L235 D238 Q265	L131-T187 HydrophobicContact CD1-CG2 3.94Å; A132-T187 PolarHBondContact O-N 3.12Å; S133-T187 WeakPolarHBondContact CB-OG1 3.47Å; S133-T187 VanDerWaalsContact OG-CG2 3.31Å; S133-T187 WeakPolarHBondContact OG-CG2 3.48Å; S133-T187 PolarHBondContact OG-OG1 3Å; F169-T187 WeakPolarHBondContact CE1-O 3.38Å; T187-E189 VanDerWaalsContact C-N 3.27Å; T187-E189 PolarHBondContact O-N 3.36Å; T187-L235 CarbonylContact C-O 3.46Å; T187-L235 VanDerWaalsContact CA-O 3.25Å; T187-L235 WeakPolarHBondContact CA-O 3.05Å; T187-L235 HydrophobicContact CG2-CB 4.19Å; T187-L235 HydrophobicContact CG2-CD1 4.48Å; T187-D238 VanDerWaalsContact CB-OD2 3.31Å; T187-D238 WeakPolarHBondContact CB-OD2 3.33Å; T187-D238 HydrophobicContact CG2-CB 3.91Å; T187-D238 VanDerWaalsContact CG2-OD2 3.24Å; T187-D238 WeakPolarHBondContact CG2-OD2 3.33Å; T187-D238 PolarHBondContact OG1-OD2 3.39Å; T187-Q265 HydrophobicContact CG2-CB 4.23Å; T187-Q265 HydrophobicContact CG2-CG 4.31Å
188	A	95.6	Very high	95.1	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.008	24%	0.236	C	C	.	.	S	Bend	trans	-65.7	-31	-177.9	0	0	0	0	0	113.1	Q212 I216 L220 L234 L235	A188-Q212 HydrophobicContact CB-CG 4.25Å; A188-I216 HydrophobicContact CB-CD1 4.23Å; A188-I216 HydrophobicContact CB-CG1 4.41Å; A188-L220 HydrophobicContact CB-CD2 4.37Å; A188-L234 HydrophobicContact CB-CD1 4.37Å; A188-L235 PolarHBondContact N-O 3.39Å
189	E	96.8	Very high	94.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.235	C	C	.	.			trans	-173.1	142.4	177.2	178.4	57.5	-152.9	0	0	108.4	T187 P192 L205 F207 D238	T187-E189 VanDerWaalsContact C-N 3.27Å; T187-E189 PolarHBondContact O-N 3.36Å; E189-P192 HydrophobicContact CB-CB 4.12Å; E189-P192 HydrophobicContact CB-CG 4.49Å; E189-P192 HydrophobicContact CG-CB 3.99Å; E189-P192 WeakPolarHBondContact O-CD 3.14Å; E189-L205 HydrophobicContact CG-CB 4.36Å; E189-L205 WeakPolarHBondContact CG-O 3.41Å; E189-L205 WeakPolarHBondContact OE1-CB 2.92Å; E189-L205 PolarHBondContact OE1-N 3.48Å; E189-F207 HydrophobicContact CB-CD2 4.06Å; E189-F207 HydrophobicContact CB-CE2 4.03Å; E189-F207 HydrophobicContact CG-CD2 4Å; E189-F207 HydrophobicContact CG-CE2 4.02Å; E189-D238 WeakPolarHBondContact O-CB 3.34Å
190	N	91.4	Very high	94.6	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.037	23%	0.225	C	C	.	.	S	Bend	trans	-77.8	129.2	168.9	172.2	94.7	0	0	0	110.9	P134 W135 P192	P134-N190 WeakPolarHBondContact O-CB 3.42Å; P134-N190 PolarHBondContact O-N 2.98Å; W135-N190 HydrophobicContact CD2-CB 4.05Å; W135-N190 HydrophobicContact CE3-CB 4.29Å; W135-N190 HydrophobicContact CG-CB 4.3Å; W135-N190 PolarHBondContact NE1-ND2 2.8Å; N190-P192 VanDerWaalsContact C-CD 3.46Å
191	E	91.6	Very high	94.3	Very high	43 Å²	43	37 Å²	37	20%	0.201	21%	0.214	C	C	.	.	S	Bend	trans	44.8	54.3	179	-64.8	-174	-157.2	0	0	113.8	S193 A194 Y200 D238 D239 L267	E191-S193 PolarHBondContact O-N 3.49Å; E191-A194 HydrophobicContact CB-CB 4Å; E191-A194 WeakPolarHBondContact O-CB 3.32Å; E191-A194 PolarHBondContact O-N 3.48Å; E191-Y200 PolarHBondContact OE2-OH 2.86Å; E191-D238 PolarHBondContact N-O 2.83Å; E191-D239 VanDerWaalsContact C-OD2 3.31Å; E191-D239 WeakPolarHBondContact CA-OD2 3.38Å; E191-L267 HydrophobicContact CG-CD1 3.37Å
192	P	95.8	Very high	94	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-24.5	-177.7	17.9	-32.1	0	0	0	114.3	E189 N190 A194 G206 F207 L237 D239 W247	E189-P192 HydrophobicContact CB-CB 4.12Å; E189-P192 HydrophobicContact CB-CG 4.49Å; E189-P192 HydrophobicContact CG-CB 3.99Å; E189-P192 WeakPolarHBondContact O-CD 3.14Å; N190-P192 VanDerWaalsContact C-CD 3.46Å; P192-A194 VanDerWaalsContact C-N 3.31Å; P192-G206 WeakPolarHBondContact O-CA 3.35Å; P192-F207 HydrophobicContact CB-CB 3.98Å; P192-F207 HydrophobicContact CB-CD2 4.21Å; P192-F207 PolarHBondContact O-N 3.23Å; P192-L237 VanDerWaalsContact CD-O 3.24Å; P192-L237 WeakPolarHBondContact CD-O 3.38Å; P192-L237 VanDerWaalsContact CG-O 3.24Å; P192-L237 WeakPolarHBondContact CG-O 3.45Å; P192-D239 HydrophobicContact CG-CB 4.41Å; P192-W247 HydrophobicContact CB-CH2 3.57Å; P192-W247 HydrophobicContact CB-CZ2 4.01Å; P192-W247 HydrophobicContact CG-CH2 3.03Å; P192-W247 HydrophobicContact CG-CZ2 3.73Å; P192-W247 HydrophobicContact CG-CZ3 3.69Å
193	S	95.9	Very high	94	Very high	22 Å²	22	30.1 Å²	30.1	15%	0.154	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-25.9	173.5	69.8	0	0	0	0	113.3	E191 G195 L196 D239	E191-S193 PolarHBondContact O-N 3.49Å; S193-G195 PolarHBondContact O-N 2.9Å; S193-L196 WeakPolarHBondContact O-CB 3.46Å; S193-L196 PolarHBondContact O-N 3.26Å; S193-L196 VanDerWaalsContact O-N 3.12Å; S193-D239 WeakPolarHBondContact CB-OD2 3.22Å; S193-D239 PolarHBondContact N-OD2 3.42Å; S193-D239 PolarHBondContact OG-OD1 3.37Å; S193-D239 PolarHBondContact OG-OD2 2.89Å
194	A	92.8	Very high	94	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.017	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-61.5	-42.2	-179.6	0	0	0	0	0	112.6	E191 P192 L196 L197 Y200 C204	E191-A194 HydrophobicContact CB-CB 4Å; E191-A194 WeakPolarHBondContact O-CB 3.32Å; E191-A194 PolarHBondContact O-N 3.48Å; P192-A194 VanDerWaalsContact C-N 3.31Å; A194-L196 PolarHBondContact O-N 3.46Å; A194-L196 VanDerWaalsContact O-N 3.1Å; A194-L197 WeakPolarHBondContact O-CB 3.32Å; A194-L197 PolarHBondContact O-N 2.79Å; A194-Y200 HydrophobicContact CB-CD1 4.13Å; A194-Y200 HydrophobicContact CB-CD2 3.92Å; A194-Y200 HydrophobicContact CB-CE1 3.7Å; A194-Y200 HydrophobicContact CB-CE2 3.48Å; A194-Y200 VanDerWaalsContact CB-CE2 3.48Å; A194-Y200 HydrophobicContact CB-CG 4.2Å; A194-C204 HydrophobicContact CB-CB 4.05Å
195	G	95.9	Very high	94.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-70	-3.2	178.3	0	0	0	0	0	114.4	K150 G151 S193	K150-G195 WeakPolarHBondContact CA-O 3.39Å; G151-G195 PolarHBondContact N-O 2.65Å; S193-G195 PolarHBondContact O-N 2.9Å
196	L	96.7	Very high	94.5	Very high	65 Å²	65	26.6 Å²	26.6	34%	0.34	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-88.5	-12.4	170.9	-53.5	-179.2	0	0	0	112.7	K150 S193 A194 T208	K150-L196 WeakPolarHBondContact CD-O 3.34Å; S193-L196 WeakPolarHBondContact O-CB 3.46Å; S193-L196 PolarHBondContact O-N 3.26Å; S193-L196 VanDerWaalsContact O-N 3.12Å; A194-L196 PolarHBondContact O-N 3.46Å; A194-L196 VanDerWaalsContact O-N 3.1Å; L196-T208 HydrophobicContact CD1-CG2 4.37Å; L196-T208 HydrophobicContact CD2-CG2 4.41Å
197	L	95.3	Very high	94.7	Very high	99 Å²	99	26.7 Å²	26.7	52%	0.518	17%	0.168	S	C	.	.	S	Bend	trans	-90.2	124.7	-177.7	-58.5	176.5	0	0	0	111.4	K150 A194 G199 Y200	K150-L197 PolarHBondContact N-O 3.34Å; A194-L197 WeakPolarHBondContact O-CB 3.32Å; A194-L197 PolarHBondContact O-N 2.79Å; L197-G199 PolarHBondContact O-N 2.83Å; L197-Y200 HydrophobicContact CB-CD2 4.47Å; L197-Y200 HydrophobicContact CD1-CD2 4.14Å; L197-Y200 PolarHBondContact O-N 2.7Å
198	S	94.9	Very high	94.9	Very high	101 Å²	101	29.2 Å²	29.2	71%	0.706	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	131.1	173.9	-62.9	0	0	0	0	110.7	Y200	S198-Y200 VanDerWaalsContact C-N 3.33Å
199	G	92.1	Very high	95	Very high	70 Å²	70	29.8 Å²	29.8	72%	0.722	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.6	16.8	179.2	0	0	0	0	0	115.1	L197	L197-G199 PolarHBondContact O-N 2.83Å
200	Y	93	Very high	95.1	Very high	32 Å²	32	33.4 Å²	33.4	13%	0.125	20%	0.204	C	C	.	.			trans	-56.1	129.3	173.4	-165.7	-97.3	0	0	0	110.9	G149 E191 A194 L197 S198 F202 C204	G149-Y200 WeakPolarHBondContact CA-O 3.47Å; G149-Y200 PolarHBondContact N-O 3.26Å; E191-Y200 PolarHBondContact OE2-OH 2.86Å; A194-Y200 HydrophobicContact CB-CD1 4.13Å; A194-Y200 HydrophobicContact CB-CD2 3.92Å; A194-Y200 HydrophobicContact CB-CE1 3.7Å; A194-Y200 HydrophobicContact CB-CE2 3.48Å; A194-Y200 VanDerWaalsContact CB-CE2 3.48Å; A194-Y200 HydrophobicContact CB-CG 4.2Å; L197-Y200 HydrophobicContact CB-CD2 4.47Å; L197-Y200 HydrophobicContact CD1-CD2 4.14Å; L197-Y200 PolarHBondContact O-N 2.7Å; S198-Y200 VanDerWaalsContact C-N 3.33Å; Y200-F202 HydrophobicContact CD1-CD2 4.29Å; Y200-F202 HydrophobicContact CD1-CE2 4.38Å; Y200-F202 WeakPolarHBondContact CD1-O 3.49Å; Y200-F202 HydrophobicContact CE1-CD1 4.35Å; Y200-F202 AromaticContact CE1-CD2 3.42Å; Y200-F202 HydrophobicContact CE1-CD2 3.42Å; Y200-F202 VanDerWaalsContact CE1-CD2 3.42Å; Y200-F202 HydrophobicContact CE1-CE1 4.13Å; Y200-F202 AromaticContact CE1-CE2 3.19Å; Y200-F202 HydrophobicContact CE1-CE2 3.19Å; Y200-F202 HydrophobicContact CE1-CG 4.01Å; Y200-F202 AromaticContact CE1-CZ 3.57Å; Y200-F202 HydrophobicContact CE1-CZ 3.57Å; Y200-F202 HydrophobicContact CE2-CZ 4.37Å; Y200-F202 AromaticContact CZ-CE2 3.39Å; Y200-F202 AromaticContact CZ-CZ 3.37Å; Y200-F202 PolarHBondContact O-N 3.33Å; Y200-F202 WeakPolarHBondContact OH-CE2 3.43Å; Y200-F202 WeakPolarHBondContact OH-CZ 3.43Å; Y200-C204 HydrophobicContact CD1-CB 3.75Å; Y200-C204 VanDerWaalsContact CD1-SG 3.54Å; Y200-C204 HydrophobicContact CE1-CB 3.91Å
201	P	89.9	Confident	95.4	Very high	86 Å²	86	34.6 Å²	34.6	56%	0.558	21%	0.21	S	C	*	.			trans	-79.7	-22.6	-157.4	24.9	-31.3	0	0	0	115.6	N148	N148-P201 PolarHBondContact ND2-O 2.69Å
202	F	90.5	Very high	95.7	Very high	20 Å²	20	32.6 Å²	32.6	9%	0.088	20%	0.2	C	C	.	.	S	Bend	trans	-131.5	-177.6	-175	50.4	-101.3	0	0	0	112.2	D83 N148 Y200 C204 L297	D83-F202 HydrophobicContact CB-CB 3.87Å; D83-F202 HydrophobicContact CB-CD1 3.99Å; D83-F202 HydrophobicContact CB-CD2 3.76Å; D83-F202 HydrophobicContact CB-CE1 4.49Å; D83-F202 HydrophobicContact CB-CE2 4.22Å; D83-F202 HydrophobicContact CB-CG 3.62Å; N148-F202 VanDerWaalsContact CA-O 3.3Å; N148-F202 WeakPolarHBondContact CA-O 3.38Å; N148-F202 VanDerWaalsContact CB-C 3.4Å; N148-F202 WeakPolarHBondContact CB-O 3.49Å; Y200-F202 HydrophobicContact CD1-CD2 4.29Å; Y200-F202 HydrophobicContact CD1-CE2 4.38Å; Y200-F202 WeakPolarHBondContact CD1-O 3.49Å; Y200-F202 HydrophobicContact CE1-CD1 4.35Å; Y200-F202 AromaticContact CE1-CD2 3.42Å; Y200-F202 HydrophobicContact CE1-CD2 3.42Å; Y200-F202 VanDerWaalsContact CE1-CD2 3.42Å; Y200-F202 HydrophobicContact CE1-CE1 4.13Å; Y200-F202 AromaticContact CE1-CE2 3.19Å; Y200-F202 HydrophobicContact CE1-CE2 3.19Å; Y200-F202 HydrophobicContact CE1-CG 4.01Å; Y200-F202 AromaticContact CE1-CZ 3.57Å; Y200-F202 HydrophobicContact CE1-CZ 3.57Å; Y200-F202 HydrophobicContact CE2-CZ 4.37Å; Y200-F202 AromaticContact CZ-CE2 3.39Å; Y200-F202 AromaticContact CZ-CZ 3.37Å; Y200-F202 PolarHBondContact O-N 3.33Å; Y200-F202 WeakPolarHBondContact OH-CE2 3.43Å; Y200-F202 WeakPolarHBondContact OH-CZ 3.43Å; F202-C204 PolarHBondContact O-N 2.61Å; F202-L297 HydrophobicContact CE1-CD1 4.19Å
203	Q	95.8	Very high	95.8	Very high	9 Å²	9	35.4 Å²	35.4	4%	0.042	21%	0.211	C	C	.	.			trans	-51.7	123.6	-174.4	-64.7	90.9	-46.8	0	0	111.3	S81 C82 W135 T136 V147	S81-Q203 PolarHBondContact OG-NE2 3.01Å; C82-Q203 PolarHBondContact O-NE2 2.92Å; W135-Q203 HydrophobicContact CB-CB 3.81Å; W135-Q203 CarbonylContact O-C 3.57Å; T136-Q203 HydrophobicContact CG2-CB 3.81Å; T136-Q203 HydrophobicContact CG2-CG 3.82Å; V147-Q203 HydrophobicContact CB-CG 4.16Å; V147-Q203 HydrophobicContact CG2-CG 4.4Å; V147-Q203 WeakPolarHBondContact O-CA 3.36Å
204	C	96.1	Very high	95.9	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	21%	0.212	C	C	.	.			trans	-154.2	148.6	177.3	60.2	0	0	0	0	111	W135 K142 V147 G149 A194 Y200 F202	W135-C204 CarbonylContact O-C 3.57Å; W135-C204 WeakPolarHBondContact O-CA 3.2Å; W135-C204 PolarHBondContact O-N 3.31Å; W135-C204 VanDerWaalsContact O-N 3.13Å; K142-C204 PolarHBondContact NZ-O 2.99Å; V147-C204 PolarHBondContact O-N 3.23Å; V147-C204 VanDerWaalsContact O-N 3.11Å; G149-C204 PolarHBondContact O-SG 3.12Å; A194-C204 HydrophobicContact CB-CB 4.05Å; Y200-C204 HydrophobicContact CD1-CB 3.75Å; Y200-C204 VanDerWaalsContact CD1-SG 3.54Å; Y200-C204 HydrophobicContact CE1-CB 3.91Å; F202-C204 PolarHBondContact O-N 2.61Å
205	L	98.4	Very high	96.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.			trans	-126.7	120.1	168.3	-177.1	65.8	0	0	0	110.4	W135 K142 L153 W165 E189 F207	W135-L205 PolarHBondContact O-N 3.1Å; W135-L205 VanDerWaalsContact O-N 3.16Å; K142-L205 HydrophobicContact CD-CD1 4.19Å; K142-L205 HydrophobicContact CG-CD1 3.99Å; L153-L205 HydrophobicContact CD2-CD1 4.27Å; L153-L205 HydrophobicContact CD2-CD2 4.08Å; L153-L205 HydrophobicContact CG-CD1 4.26Å; L153-L205 HydrophobicContact CG-CD2 4.11Å; W165-L205 HydrophobicContact CZ2-CD2 4.16Å; E189-L205 HydrophobicContact CG-CB 4.36Å; E189-L205 WeakPolarHBondContact CG-O 3.41Å; E189-L205 WeakPolarHBondContact OE1-CB 2.92Å; E189-L205 PolarHBondContact OE1-N 3.48Å; L205-F207 HydrophobicContact CB-CE2 4.3Å; L205-F207 HydrophobicContact CD2-CE2 3.58Å; L205-F207 HydrophobicContact CD2-CZ 3.84Å; L205-F207 HydrophobicContact CG-CD2 4.38Å; L205-F207 HydrophobicContact CG-CE2 3.6Å; L205-F207 HydrophobicContact CG-CZ 4.15Å
206	G	98.2	Very high	96.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.211	C	C	.	.			trans	-80.4	128.5	-170.6	0	0	0	0	0	113.2	G151 S152 P192	G151-G206 PolarHBondContact O-N 2.72Å; S152-G206 WeakPolarHBondContact CB-O 3.37Å; P192-G206 WeakPolarHBondContact O-CA 3.35Å
207	F	98.3	Very high	96.1	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.009	20%	0.203	C	C	.	.			trans	-133.2	133.3	168.1	-65.9	-93.3	0	0	0	111.2	L153 E189 P192 L205 H211 Q212 F215	L153-F207 HydrophobicContact CD1-CE1 4.09Å; L153-F207 HydrophobicContact CD1-CZ 3.85Å; L153-F207 HydrophobicContact CG-CZ 4.25Å; E189-F207 HydrophobicContact CB-CD2 4.06Å; E189-F207 HydrophobicContact CB-CE2 4.03Å; E189-F207 HydrophobicContact CG-CD2 4Å; E189-F207 HydrophobicContact CG-CE2 4.02Å; P192-F207 HydrophobicContact CB-CB 3.98Å; P192-F207 HydrophobicContact CB-CD2 4.21Å; P192-F207 PolarHBondContact O-N 3.23Å; L205-F207 HydrophobicContact CB-CE2 4.3Å; L205-F207 HydrophobicContact CD2-CE2 3.58Å; L205-F207 HydrophobicContact CD2-CZ 3.84Å; L205-F207 HydrophobicContact CG-CD2 4.38Å; L205-F207 HydrophobicContact CG-CE2 3.6Å; L205-F207 HydrophobicContact CG-CZ 4.15Å; F207-H211 HydrophobicContact CD1-CB 4.21Å; F207-H211 AromaticContact CD1-CD2 3.8Å; F207-H211 AromaticContact CD1-CG 3.76Å; F207-Q212 HydrophobicContact CB-CB 4.09Å; F207-F215 HydrophobicContact CE1-CB 4.29Å; F207-F215 HydrophobicContact CE1-CD1 4.11Å; F207-F215 HydrophobicContact CE1-CG 4.23Å; F207-F215 HydrophobicContact CZ-CD1 4.32Å
208	T	98.4	Very high	96.2	Very high	53 Å²	53	35.7 Å²	35.7	33%	0.325	20%	0.203	S	C	.	.			trans	-74.4	161.8	159.1	81.7	0	0	0	0	109.1	L196 E210 H211 Q212	L196-T208 HydrophobicContact CD1-CG2 4.37Å; L196-T208 HydrophobicContact CD2-CG2 4.41Å; T208-E210 WeakPolarHBondContact CB-OE2 3.49Å; T208-E210 PolarHBondContact O-N 3.37Å; T208-E210 PolarHBondContact OG1-N 3.13Å; T208-E210 PolarHBondContact OG1-OE2 2.81Å; T208-H211 PolarHBondContact O-N 3.26Å; T208-H211 PolarHBondContact OG1-N 3.31Å; T208-Q212 PolarHBondContact O-N 3.16Å
209	P	97.3	Very high	96.3	Very high	14 Å²	14	30.9 Å²	30.9	9%	0.091	17%	0.17	C	C	.	.	H	α-helix	trans	-58	-35.5	176	13.9	-21.2	0	0	0	113.3	R213 W247 V250	P209-R213 VanDerWaalsContact O-CB 3.32Å; P209-R213 WeakPolarHBondContact O-CB 3.42Å; P209-R213 PolarHBondContact O-N 2.83Å; P209-W247 HydrophobicContact CB-CD2 4.34Å; P209-W247 HydrophobicContact CB-CG 3.98Å; P209-W247 VanDerWaalsContact CB-NE1 3.35Å; P209-W247 VanDerWaalsContact CD-NE1 3.3Å; P209-V250 HydrophobicContact CB-CB 3.79Å; P209-V250 HydrophobicContact CB-CG1 3.77Å; P209-V250 HydrophobicContact CB-CG2 4.11Å; P209-V250 HydrophobicContact CG-CB 4.49Å; P209-V250 HydrophobicContact CG-CG1 4.47Å; P209-V250 HydrophobicContact CG-CG2 4.29Å
210	E	98.1	Very high	96.6	Very high	75 Å²	75	27.5 Å²	27.5	35%	0.35	14%	0.135	S	C	.	.	H	α-helix	trans	-67.7	-43	177.1	-57.9	71.7	-155.4	0	0	111	T208 R213 D214 V250	T208-E210 WeakPolarHBondContact CB-OE2 3.49Å; T208-E210 PolarHBondContact O-N 3.37Å; T208-E210 PolarHBondContact OG1-N 3.13Å; T208-E210 PolarHBondContact OG1-OE2 2.81Å; E210-R213 WeakPolarHBondContact O-CB 3.04Å; E210-R213 PolarHBondContact O-N 2.89Å; E210-D214 WeakPolarHBondContact O-CB 3.47Å; E210-D214 VanDerWaalsContact O-CG 3.31Å; E210-D214 PolarHBondContact O-N 2.81Å; E210-V250 HydrophobicContact CG-CG1 3.99Å
211	H	98.3	Very high	96.7	Very high	32 Å²	32	26.5 Å²	26.5	15%	0.148	14%	0.135	C	C	.	.	H	α-helix	trans	-64.5	-44.8	176.7	-166.2	169.5	0	0	0	110.7	H162 F207 T208 R213 D214 F215	H162-H211 AromaticContact CD2-NE2 3.69Å; H162-H211 AromaticContact CE1-NE2 3.9Å; H162-H211 AromaticContact NE2-CD2 3.85Å; H162-H211 AromaticContact NE2-CE1 3.72Å; H162-H211 AromaticContact NE2-NE2 2.84Å; H162-H211 PolarHBondContact NE2-NE2 3.01Å; F207-H211 HydrophobicContact CD1-CB 4.21Å; F207-H211 AromaticContact CD1-CD2 3.8Å; F207-H211 AromaticContact CD1-CG 3.76Å; T208-H211 PolarHBondContact O-N 3.26Å; T208-H211 PolarHBondContact OG1-N 3.31Å; H211-R213 PolarHBondContact O-N 3.32Å; H211-D214 PolarHBondContact O-N 3.17Å; H211-F215 VanDerWaalsContact O-CB 3.3Å; H211-F215 WeakPolarHBondContact O-CB 3.42Å; H211-F215 PolarHBondContact O-N 3.05Å
212	Q	98.1	Very high	96.9	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-62.3	-43.9	175.6	-174.9	178.2	90.7	0	0	111.5	A188 F207 T208 D214 F215 I216 W247	A188-Q212 HydrophobicContact CB-CG 4.25Å; F207-Q212 HydrophobicContact CB-CB 4.09Å; T208-Q212 PolarHBondContact O-N 3.16Å; Q212-D214 PolarHBondContact O-N 2.96Å; Q212-F215 PolarHBondContact O-N 3.46Å; Q212-I216 HydrophobicContact CG-CD1 3.62Å; Q212-I216 HydrophobicContact CG-CG1 4.25Å; Q212-I216 WeakPolarHBondContact O-CB 3.24Å; Q212-I216 WeakPolarHBondContact O-CD1 3.35Å; Q212-I216 WeakPolarHBondContact O-CG1 3.49Å; Q212-I216 PolarHBondContact O-N 3.08Å; Q212-W247 HydrophobicContact CB-CH2 4.09Å; Q212-W247 HydrophobicContact CB-CZ2 4.5Å; Q212-W247 HydrophobicContact CG-CH2 4.26Å; Q212-W247 HydrophobicContact CG-CZ3 4.45Å
213	R	97.4	Very high	97.2	Very high	59 Å²	59	25.2 Å²	25.2	22%	0.223	13%	0.128	C	C	.	.	H	α-helix	trans	-53.7	-53.2	175	176.7	-160.9	69.2	-158.1	-3.8	111	P209 E210 H211 I216 A217 V250 V251 D254 A257	P209-R213 VanDerWaalsContact O-CB 3.32Å; P209-R213 WeakPolarHBondContact O-CB 3.42Å; P209-R213 PolarHBondContact O-N 2.83Å; E210-R213 WeakPolarHBondContact O-CB 3.04Å; E210-R213 PolarHBondContact O-N 2.89Å; H211-R213 PolarHBondContact O-N 3.32Å; R213-I216 PolarHBondContact O-N 3.2Å; R213-A217 WeakPolarHBondContact O-CB 3.26Å; R213-A217 PolarHBondContact O-N 2.79Å; R213-V250 WeakPolarHBondContact CD-O 3.3Å; R213-V251 HydrophobicContact CB-CB 4.42Å; R213-V251 HydrophobicContact CB-CG1 4.41Å; R213-V251 HydrophobicContact CB-CG2 4.06Å; R213-D254 WeakPolarHBondContact CD-OD2 3.15Å; R213-D254 HydrophobicContact CG-CB 3.91Å; R213-D254 IonicContact NE-OD2 3.03Å; R213-A257 HydrophobicContact CG-CB 3.76Å
214	D	97.8	Very high	97.1	Very high	32 Å²	32	25.1 Å²	25.1	17%	0.171	13%	0.128	C	C	.	.	H	α-helix	trans	-68.7	-37.8	-174.4	-69.6	-15.3	0	0	0	111.6	P157 E210 H211 Q212 A217 R218	P157-D214 HydrophobicContact CB-CB 3.72Å; P157-D214 HydrophobicContact CG-CB 3.69Å; E210-D214 WeakPolarHBondContact O-CB 3.47Å; E210-D214 VanDerWaalsContact O-CG 3.31Å; E210-D214 PolarHBondContact O-N 2.81Å; H211-D214 PolarHBondContact O-N 3.17Å; Q212-D214 PolarHBondContact O-N 2.96Å; D214-A217 PolarHBondContact O-N 3.32Å; D214-R218 VanDerWaalsContact O-CB 3.27Å; D214-R218 WeakPolarHBondContact O-CB 3.27Å; D214-R218 WeakPolarHBondContact O-CG 3.19Å; D214-R218 PolarHBondContact O-N 3.26Å
215	F	98.3	Very high	96.9	Very high	1 Å²	1	28 Å²	28	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-61.9	-43.3	172.9	172.1	-120.6	0	0	0	111.9	H162 W165 A166 F207 H211 Q212 D219 L220	H162-F215 HydrophobicContact CB-CD2 4.16Å; H162-F215 HydrophobicContact CB-CE2 4.49Å; H162-F215 AromaticContact CD2-CD2 3.99Å; W165-F215 HydrophobicContact CB-CE2 4.47Å; W165-F215 AromaticContact CD1-CE1 3.88Å; W165-F215 AromaticContact CD1-CE2 3.82Å; W165-F215 AromaticContact CD1-CZ 3.28Å; W165-F215 HydrophobicContact CG-CZ 4.19Å; W165-F215 AromaticContact NE1-CZ 3.99Å; A166-F215 HydrophobicContact CB-CE2 4.29Å; F207-F215 HydrophobicContact CE1-CB 4.29Å; F207-F215 HydrophobicContact CE1-CD1 4.11Å; F207-F215 HydrophobicContact CE1-CG 4.23Å; F207-F215 HydrophobicContact CZ-CD1 4.32Å; H211-F215 VanDerWaalsContact O-CB 3.3Å; H211-F215 WeakPolarHBondContact O-CB 3.42Å; H211-F215 PolarHBondContact O-N 3.05Å; Q212-F215 PolarHBondContact O-N 3.46Å; F215-D219 HydrophobicContact CD2-CB 3.72Å; F215-D219 HydrophobicContact CE2-CB 3.82Å; F215-D219 WeakPolarHBondContact O-CA 3.37Å; F215-D219 WeakPolarHBondContact O-CB 3.48Å; F215-D219 PolarHBondContact O-N 2.91Å; F215-L220 HydrophobicContact CD1-CB 4.34Å; F215-L220 HydrophobicContact CE1-CB 3.83Å; F215-L220 HydrophobicContact CE1-CD2 3.74Å; F215-L220 HydrophobicContact CE1-CG 4.32Å; F215-L220 HydrophobicContact CE2-CB 4.17Å; F215-L220 HydrophobicContact CZ-CB 3.71Å; F215-L220 HydrophobicContact CZ-CD1 4.45Å; F215-L220 HydrophobicContact CZ-CD2 4.17Å; F215-L220 HydrophobicContact CZ-CG 4.33Å; F215-L220 PolarHBondContact O-N 2.98Å
216	I	96.5	Very high	96.6	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.189	C	C	.	.	I	π-helix	trans	-64.1	-48.3	176.4	-69.4	166.5	0	0	0	110.6	A188 Q212 R213 G221 P222 L234 M236 V251 A257 L261	A188-I216 HydrophobicContact CB-CD1 4.23Å; A188-I216 HydrophobicContact CB-CG1 4.41Å; Q212-I216 HydrophobicContact CG-CD1 3.62Å; Q212-I216 HydrophobicContact CG-CG1 4.25Å; Q212-I216 WeakPolarHBondContact O-CB 3.24Å; Q212-I216 WeakPolarHBondContact O-CD1 3.35Å; Q212-I216 WeakPolarHBondContact O-CG1 3.49Å; Q212-I216 PolarHBondContact O-N 3.08Å; R213-I216 PolarHBondContact O-N 3.2Å; I216-G221 WeakPolarHBondContact O-CA 3.37Å; I216-G221 PolarHBondContact O-N 2.94Å; I216-P222 WeakPolarHBondContact O-CD 3.24Å; I216-L234 HydrophobicContact CG1-CD2 4.2Å; I216-L234 HydrophobicContact CG2-CD2 3.87Å; I216-M236 HydrophobicContact CD1-CB 4.25Å; I216-V251 HydrophobicContact CD1-CG1 4.33Å; I216-A257 HydrophobicContact CG2-CB 4.48Å; I216-L261 HydrophobicContact CD1-CD1 4.3Å; I216-L261 HydrophobicContact CD1-CD2 4.13Å; I216-L261 HydrophobicContact CG2-CD1 4.41Å; I216-L261 HydrophobicContact CG2-CD2 4.38Å; I216-L261 HydrophobicContact CG2-CG 4.08Å
217	A	95.6	Very high	96	Very high	20 Å²	20	36 Å²	36	17%	0.165	20%	0.2	C	C	.	.	I	π-helix	trans	-67.4	-40.6	-175.7	0	0	0	0	0	113	R213 D214 P222 E256 A257	R213-A217 WeakPolarHBondContact O-CB 3.26Å; R213-A217 PolarHBondContact O-N 2.79Å; D214-A217 PolarHBondContact O-N 3.32Å; A217-P222 WeakPolarHBondContact O-CD 3.28Å; A217-P222 VanDerWaalsContact O-CG 3.28Å; A217-P222 WeakPolarHBondContact O-CG 3.28Å; A217-E256 HydrophobicContact CB-CB 4.16Å; A217-A257 HydrophobicContact CB-CB 4.08Å
218	R	97.3	Very high	95.7	Very high	140 Å²	140	41.1 Å²	41.1	53%	0.528	23%	0.231	S	C	.	.	I	π-helix	trans	-96.8	-29.4	-170.6	-62.1	-177.3	-178.3	177.9	2.7	114.1	P157 Q163 D214	P157-R218 WeakPolarHBondContact O-CD 3.18Å; P157-R218 PolarHBondContact O-NH1 2.77Å; P157-R218 VanDerWaalsContact O-NH1 3.13Å; Q163-R218 PolarHBondContact NE2-O 2.92Å; D214-R218 VanDerWaalsContact O-CB 3.27Å; D214-R218 WeakPolarHBondContact O-CB 3.27Å; D214-R218 WeakPolarHBondContact O-CG 3.19Å; D214-R218 PolarHBondContact O-N 3.26Å
219	D	97.9	Very high	95.4	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-122.3	-69.8	-168.6	-50.8	-70.7	0	0	0	111.4	P157 G158 H162 Q163 A166 F215 T223	P157-D219 WeakPolarHBondContact CA-OD2 3.41Å; G158-D219 WeakPolarHBondContact CA-OD1 3.24Å; G158-D219 VanDerWaalsContact N-CG 3.33Å; G158-D219 PolarHBondContact N-OD1 3.26Å; G158-D219 PolarHBondContact N-OD2 2.86Å; H162-D219 HydrophobicContact CB-CB 4.26Å; H162-D219 VanDerWaalsContact CB-CG 3.49Å; H162-D219 VanDerWaalsContact CB-OD2 3.25Å; H162-D219 WeakPolarHBondContact CB-OD2 3.03Å; H162-D219 IonicContact CG-OD2 3.21Å; Q163-D219 VanDerWaalsContact CD-OD1 3.25Å; Q163-D219 WeakPolarHBondContact CG-OD1 3.32Å; Q163-D219 PolarHBondContact NE2-OD1 3.49Å; A166-D219 HydrophobicContact CB-CB 4.02Å; F215-D219 HydrophobicContact CD2-CB 3.72Å; F215-D219 HydrophobicContact CE2-CB 3.82Å; F215-D219 WeakPolarHBondContact O-CA 3.37Å; F215-D219 WeakPolarHBondContact O-CB 3.48Å; F215-D219 PolarHBondContact O-N 2.91Å; D219-T223 WeakPolarHBondContact O-CB 3.24Å; D219-T223 PolarHBondContact O-N 2.96Å; D219-T223 PolarHBondContact O-OG1 3.44Å
220	L	97.1	Very high	95.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.	I	π-helix	trans	-67.8	-46.9	-168.6	-175.4	59.8	0	0	0	113	A166 F169 A188 F215 T223 L224 L234	A166-L220 HydrophobicContact CB-CD1 4.42Å; F169-L220 HydrophobicContact CB-CD1 3.99Å; F169-L220 HydrophobicContact CD1-CD1 4.11Å; F169-L220 HydrophobicContact CD2-CD1 3.78Å; F169-L220 HydrophobicContact CE1-CD2 4.43Å; F169-L220 HydrophobicContact CE2-CD1 4.22Å; F169-L220 HydrophobicContact CG-CD1 3.71Å; F169-L220 HydrophobicContact CZ-CD2 4.3Å; A188-L220 HydrophobicContact CB-CD2 4.37Å; F215-L220 HydrophobicContact CD1-CB 4.34Å; F215-L220 HydrophobicContact CE1-CB 3.83Å; F215-L220 HydrophobicContact CE1-CD2 3.74Å; F215-L220 HydrophobicContact CE1-CG 4.32Å; F215-L220 HydrophobicContact CE2-CB 4.17Å; F215-L220 HydrophobicContact CZ-CB 3.71Å; F215-L220 HydrophobicContact CZ-CD1 4.45Å; F215-L220 HydrophobicContact CZ-CD2 4.17Å; F215-L220 HydrophobicContact CZ-CG 4.33Å; F215-L220 PolarHBondContact O-N 2.98Å; L220-T223 PolarHBondContact O-N 3.34Å; L220-L224 HydrophobicContact CD1-CD1 3.83Å; L220-L224 HydrophobicContact CD1-CG 4.02Å; L220-L224 HydrophobicContact CG-CD1 3.94Å; L220-L224 HydrophobicContact CG-CG 4.48Å; L220-L224 WeakPolarHBondContact O-CB 3.16Å; L220-L224 WeakPolarHBondContact O-CG 3.44Å; L220-L224 PolarHBondContact O-N 3.29Å; L220-L234 HydrophobicContact CD2-CD1 3.57Å; L220-L234 HydrophobicContact CD2-CD2 3.97Å; L220-L234 HydrophobicContact CD2-CG 4.44Å; L220-L234 HydrophobicContact CG-CD1 4.33Å; L220-L234 HydrophobicContact CG-CD2 4.13Å
221	G	94.8	Very high	94.8	Very high	11 Å²	11	46.7 Å²	46.7	11%	0.113	26%	0.256	C	S	.	.	H	α-helix	trans	-59.3	-57.4	179.6	0	0	0	0	0	112.3	I216 T223 L224 A225	I216-G221 WeakPolarHBondContact O-CA 3.37Å; I216-G221 PolarHBondContact O-N 2.94Å; G221-T223 VanDerWaalsContact C-N 3.32Å; G221-T223 PolarHBondContact O-N 3.48Å; G221-L224 PolarHBondContact O-N 2.8Å; G221-A225 VanDerWaalsContact O-CB 3.32Å; G221-A225 WeakPolarHBondContact O-CB 3.4Å; G221-A225 PolarHBondContact O-N 2.79Å
222	P	95.6	Very high	94.6	Very high	52 Å²	52	46 Å²	46	34%	0.338	25%	0.253	S	S	.	.	H	α-helix	trans	-59.2	-39.2	176.6	-26.2	35.2	0	0	0	113.6	I216 A217 A225 N226	I216-P222 WeakPolarHBondContact O-CD 3.24Å; A217-P222 WeakPolarHBondContact O-CD 3.28Å; A217-P222 VanDerWaalsContact O-CG 3.28Å; A217-P222 WeakPolarHBondContact O-CG 3.28Å; P222-A225 PolarHBondContact O-N 3.3Å; P222-N226 WeakPolarHBondContact O-CB 3.39Å; P222-N226 VanDerWaalsContact O-CG 3.24Å; P222-N226 PolarHBondContact O-N 3.35Å; P222-N226 PolarHBondContact O-ND2 3.38Å
223	T	96.3	Very high	94.4	Very high	26 Å²	26	51.9 Å²	51.9	16%	0.16	28%	0.276	C	S	.	.	H	α-helix	trans	-66.5	-40.8	-179.5	-60.5	0	0	0	0	111.9	A166 R167 V170 D219 L220 G221 G227	A166-T223 HydrophobicContact CB-CG2 4.05Å; R167-T223 HydrophobicContact CG-CG2 4.35Å; V170-T223 HydrophobicContact CG2-CG2 3.73Å; D219-T223 WeakPolarHBondContact O-CB 3.24Å; D219-T223 PolarHBondContact O-N 2.96Å; D219-T223 PolarHBondContact O-OG1 3.44Å; L220-T223 PolarHBondContact O-N 3.34Å; G221-T223 VanDerWaalsContact C-N 3.32Å; G221-T223 PolarHBondContact O-N 3.48Å; T223-G227 PolarHBondContact O-N 2.99Å
224	L	94	Very high	94.1	Very high	8 Å²	8	49.3 Å²	49.3	4%	0.042	27%	0.266	C	S	.	.	H	α-helix	trans	-69.4	-42.6	174.1	-70.8	172.9	0	0	0	111.8	V170 L173 V186 L220 G221 N226 G227 H230 L234	V170-L224 HydrophobicContact CG2-CD2 4.22Å; L173-L224 HydrophobicContact CD1-CD2 3.77Å; V186-L224 HydrophobicContact CG2-CD1 4.18Å; L220-L224 HydrophobicContact CD1-CD1 3.83Å; L220-L224 HydrophobicContact CD1-CG 4.02Å; L220-L224 HydrophobicContact CG-CD1 3.94Å; L220-L224 HydrophobicContact CG-CG 4.48Å; L220-L224 WeakPolarHBondContact O-CB 3.16Å; L220-L224 WeakPolarHBondContact O-CG 3.44Å; L220-L224 PolarHBondContact O-N 3.29Å; G221-L224 PolarHBondContact O-N 2.8Å; L224-N226 VanDerWaalsContact C-N 3.34Å; L224-N226 PolarHBondContact O-N 2.95Å; L224-G227 PolarHBondContact O-N 3.22Å; L224-H230 WeakPolarHBondContact O-CA 3.1Å; L224-H230 PolarHBondContact O-N 3.31Å; L224-L234 HydrophobicContact CD1-CD1 4.5Å
225	A	91.4	Very high	93.7	Very high	61 Å²	61	48.4 Å²	48.4	50%	0.504	26%	0.262	S	S	.	.	H	α-helix	trans	-65.7	-34.4	-178.5	0	0	0	0	0	113.2	G221 P222 G227 H230	G221-A225 VanDerWaalsContact O-CB 3.32Å; G221-A225 WeakPolarHBondContact O-CB 3.4Å; G221-A225 PolarHBondContact O-N 2.79Å; P222-A225 PolarHBondContact O-N 3.3Å; A225-G227 VanDerWaalsContact C-N 3.33Å; A225-H230 WeakPolarHBondContact O-CB 3.33Å
226	N	91.1	Very high	93.3	Very high	147 Å²	147	48.4 Å²	48.4	79%	0.786	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-10.2	178	-68.5	-14.3	0	0	0	113.2	P222 L224	P222-N226 WeakPolarHBondContact O-CB 3.39Å; P222-N226 VanDerWaalsContact O-CG 3.24Å; P222-N226 PolarHBondContact O-N 3.35Å; P222-N226 PolarHBondContact O-ND2 3.38Å; L224-N226 VanDerWaalsContact C-N 3.34Å; L224-N226 PolarHBondContact O-N 2.95Å
227	G	87.1	Confident	92.8	Very high	22 Å²	22	48.3 Å²	48.3	23%	0.227	26%	0.261	C	S	.	.	S	Bend	trans	-87.3	175.1	-179.6	0	0	0	0	0	114.1	T223 L224 A225 H229 H230	T223-G227 PolarHBondContact O-N 2.99Å; L224-G227 PolarHBondContact O-N 3.22Å; A225-G227 VanDerWaalsContact C-N 3.33Å; G227-H229 PolarHBondContact O-N 2.85Å; G227-H230 PolarHBondContact O-ND1 3.15Å; G227-H230 VanDerWaalsContact O-ND1 3.16Å
228	T	90.9	Very high	92.5	Very high	108 Å²	108	47.5 Å²	47.5	66%	0.663	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-19.3	170.7	47.4	0	0	0	0	112.7
229	H	93.1	Very high	91.9	Very high	29 Å²	29	41 Å²	41	13%	0.134	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	22.2	-176.4	-54.6	-68.9	0	0	0	114.5	L173 D174 G227 N231 V232	L173-H229 HydrophobicContact CB-CB 4.38Å; L173-H229 VanDerWaalsContact CB-CD2 3.48Å; L173-H229 WeakPolarHBondContact CB-CD2 3.34Å; L173-H229 HydrophobicContact CD1-CB 3.72Å; D174-H229 PolarHBondContact N-NE2 2.87Å; D174-H229 IonicContact OD1-CD2 3.07Å; D174-H229 IonicContact OD1-CE1 3.21Å; D174-H229 IonicContact OD1-NE2 3.53Å; D174-H229 PolarHBondContact OD1-NE2 2.66Å; G227-H229 PolarHBondContact O-N 2.85Å; H229-N231 PolarHBondContact O-N 3.02Å; H229-V232 HydrophobicContact CB-CG2 3.91Å; H229-V232 VanDerWaalsContact O-CB 3.31Å; H229-V232 WeakPolarHBondContact O-CB 3.44Å; H229-V232 WeakPolarHBondContact O-CG2 3.27Å; H229-V232 PolarHBondContact O-N 3.38Å
230	H	90.4	Very high	91	Very high	108 Å²	108	45 Å²	45	50%	0.5	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-17.5	-179	59.1	-93.2	0	0	0	115	L224 A225 G227 V232	L224-H230 WeakPolarHBondContact O-CA 3.1Å; L224-H230 PolarHBondContact O-N 3.31Å; A225-H230 WeakPolarHBondContact O-CB 3.33Å; G227-H230 PolarHBondContact O-ND1 3.15Å; G227-H230 VanDerWaalsContact O-ND1 3.16Å; H230-V232 VanDerWaalsContact C-N 3.34Å
231	N	92.6	Very high	90.1	Very high	122 Å²	122	52.5 Å²	52.5	65%	0.652	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-14.9	175.4	-68.1	-49.8	0	0	0	113.5	H229 R233	H229-N231 PolarHBondContact O-N 3.02Å; N231-R233 PolarHBondContact O-N 2.9Å
232	V	93.9	Very high	89.6	Confident	17 Å²	17	57.7 Å²	57.7	10%	0.103	30%	0.301	C	S	.	.	S	Bend	trans	-69.2	127.4	177.1	-179.9	0	0	0	0	108.9	L173 F183 V186 H229 H230	L173-V232 HydrophobicContact CD1-CG1 4.48Å; L173-V232 HydrophobicContact CD1-CG2 4.25Å; L173-V232 HydrophobicContact CD2-CG2 4.39Å; F183-V232 HydrophobicContact CB-CG1 4.33Å; F183-V232 HydrophobicContact CB-CG2 4.45Å; V186-V232 HydrophobicContact CG1-CG1 4.01Å; V186-V232 HydrophobicContact CG2-CG1 4.26Å; H229-V232 HydrophobicContact CB-CG2 3.91Å; H229-V232 VanDerWaalsContact O-CB 3.31Å; H229-V232 WeakPolarHBondContact O-CB 3.44Å; H229-V232 WeakPolarHBondContact O-CG2 3.27Å; H229-V232 PolarHBondContact O-N 3.38Å; H230-V232 VanDerWaalsContact C-N 3.34Å
233	R	92.7	Very high	89.1	Confident	126 Å²	126	57.2 Å²	57.2	48%	0.475	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	135.9	-178	-56.1	-68.2	178	177.1	0.6	110.3	W184 A185 V186 N231 C262	W184-R233 WeakPolarHBondContact O-CB 3.33Å; W184-R233 WeakPolarHBondContact O-CG 3.43Å; W184-R233 PolarHBondContact O-N 3.47Å; A185-R233 CarbonylContact C-O 3.43Å; A185-R233 WeakPolarHBondContact CA-O 3.41Å; A185-R233 HydrophobicContact CB-CB 3.91Å; A185-R233 WeakPolarHBondContact CB-O 3.18Å; V186-R233 PolarHBondContact N-O 3.15Å; N231-R233 PolarHBondContact O-N 2.9Å; R233-C262 HydrophobicContact CB-CB 3.85Å; R233-C262 WeakPolarHBondContact CD-SG 3.21Å; R233-C262 HydrophobicContact CG-CB 4.31Å
234	L	92.3	Very high	88.4	Confident	4 Å²	4	58 Å²	58	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.8	171.7	-177.6	60.9	0	0	0	110.7	V186 A188 I216 L220 L224 L261 C262	V186-L234 HydrophobicContact CG2-CD1 3.89Å; A188-L234 HydrophobicContact CB-CD1 4.37Å; I216-L234 HydrophobicContact CG1-CD2 4.2Å; I216-L234 HydrophobicContact CG2-CD2 3.87Å; L220-L234 HydrophobicContact CD2-CD1 3.57Å; L220-L234 HydrophobicContact CD2-CD2 3.97Å; L220-L234 HydrophobicContact CD2-CG 4.44Å; L220-L234 HydrophobicContact CG-CD1 4.33Å; L220-L234 HydrophobicContact CG-CD2 4.13Å; L224-L234 HydrophobicContact CD1-CD1 4.5Å; L234-L261 HydrophobicContact CB-CD2 4.35Å; L234-L261 HydrophobicContact CD2-CD2 4.09Å; L234-L261 HydrophobicContact CG-CD2 3.86Å; L234-C262 PolarHBondContact O-N 3.48Å
235	L	89.2	Confident	88.4	Confident	14 Å²	14	61.6 Å²	61.6	7%	0.073	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129	175.4	-53.2	-179.5	0	0	0	110.1	L131 A185 V186 T187 A188 G263 Q265	L131-L235 HydrophobicContact CD1-CD1 3.88Å; A185-L235 HydrophobicContact CB-CD1 4.19Å; A185-L235 HydrophobicContact CB-CG 4.28Å; V186-L235 PolarHBondContact O-N 2.78Å; T187-L235 CarbonylContact C-O 3.46Å; T187-L235 VanDerWaalsContact CA-O 3.25Å; T187-L235 WeakPolarHBondContact CA-O 3.05Å; T187-L235 HydrophobicContact CG2-CB 4.19Å; T187-L235 HydrophobicContact CG2-CD1 4.48Å; A188-L235 PolarHBondContact N-O 3.39Å; L235-G263 WeakPolarHBondContact CA-O 3.43Å; L235-Q265 HydrophobicContact CB-CB 4.31Å; L235-Q265 HydrophobicContact CD1-CB 4.38Å
236	M	88.8	Confident	88.5	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	179.7	172.4	66.4	168.3	-72.6	0	0	111.5	I216 D238 W247 V251 L252 L261 G263 F264 Q265	I216-M236 HydrophobicContact CD1-CB 4.25Å; M236-D238 PolarHBondContact O-N 3.4Å; M236-D238 VanDerWaalsContact O-N 3.12Å; M236-W247 HydrophobicContact CE-CB 4.39Å; M236-W247 HydrophobicContact CE-CE3 3.96Å; M236-V251 HydrophobicContact CE-CB 3.55Å; M236-V251 HydrophobicContact CE-CG1 4.08Å; M236-V251 HydrophobicContact CE-CG2 3.48Å; M236-V251 VanDerWaalsContact CE-CG2 3.48Å; M236-V251 HydrophobicContact SD-CB 3.69Å; M236-V251 HydrophobicContact SD-CG1 3.7Å; M236-V251 HydrophobicContact SD-CG2 4.24Å; M236-L252 HydrophobicContact SD-CD2 3.99Å; M236-L252 HydrophobicContact SD-CG 4.07Å; M236-L261 HydrophobicContact CB-CD1 4.21Å; M236-L261 HydrophobicContact CB-CD2 3.9Å; M236-L261 HydrophobicContact CG-CD1 4.26Å; M236-L261 HydrophobicContact CG-CD2 4.37Å; M236-L261 HydrophobicContact SD-CD1 3.97Å; M236-G263 WeakPolarHBondContact CG-O 3.2Å; M236-G263 PolarHBondContact N-O 2.96Å; M236-F264 HydrophobicContact CG-CB 3.55Å; M236-F264 CarbonylContact O-C 3.41Å; M236-F264 VanDerWaalsContact O-CA 3.28Å; M236-F264 WeakPolarHBondContact O-CA 3.41Å; M236-F264 HydrophobicContact SD-CB 4.38Å; M236-Q265 PolarHBondContact O-N 3.15Å
237	L	87.1	Confident	88.5	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	70.4	-92.3	-177.8	-166.7	64.7	0	0	0	114.7	P192 D239 L243 L244 W247 F264 Q265 V266	P192-L237 VanDerWaalsContact CD-O 3.24Å; P192-L237 WeakPolarHBondContact CD-O 3.38Å; P192-L237 VanDerWaalsContact CG-O 3.24Å; P192-L237 WeakPolarHBondContact CG-O 3.45Å; L237-D239 HydrophobicContact CD1-CB 3.67Å; L237-D239 HydrophobicContact CG-CB 4.04Å; L237-D239 PolarHBondContact O-N 2.79Å; L237-L243 HydrophobicContact CD1-CB 3.97Å; L237-L243 HydrophobicContact CD1-CD1 4.01Å; L237-L244 HydrophobicContact CD2-CD1 3.87Å; L237-L244 HydrophobicContact CD2-CD2 3.83Å; L237-L244 HydrophobicContact CD2-CG 3.65Å; L237-W247 HydrophobicContact CB-CE3 3.62Å; L237-W247 HydrophobicContact CB-CZ3 4.02Å; L237-W247 HydrophobicContact CD1-CB 4.13Å; L237-W247 HydrophobicContact CD1-CD2 3.51Å; L237-W247 HydrophobicContact CD1-CE3 3.16Å; L237-W247 HydrophobicContact CD1-CG 3.94Å; L237-W247 HydrophobicContact CD1-CZ3 3.82Å; L237-W247 HydrophobicContact CG-CE3 3.94Å; L237-W247 HydrophobicContact CG-CZ3 4.46Å; L237-W247 VanDerWaalsContact N-CZ3 3.3Å; L237-F264 HydrophobicContact CB-CB 4.27Å; L237-Q265 VanDerWaalsContact CB-O 3.26Å; L237-Q265 WeakPolarHBondContact CB-O 3.3Å; L237-Q265 WeakPolarHBondContact CD2-O 3.11Å; L237-Q265 WeakPolarHBondContact CG-O 3.34Å; L237-V266 HydrophobicContact CD2-CG2 3.99Å
238	D	88.7	Confident	88.5	Confident	2 Å²	2	57 Å²	57	1%	0.011	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	49.9	44.5	-170.8	-158.7	20.4	0	0	0	112.9	S133 T187 E189 E191 M236 Q265 L267	S133-D238 WeakPolarHBondContact CB-OD2 3.41Å; S133-D238 PolarHBondContact OG-OD2 3.38Å; T187-D238 VanDerWaalsContact CB-OD2 3.31Å; T187-D238 WeakPolarHBondContact CB-OD2 3.33Å; T187-D238 HydrophobicContact CG2-CB 3.91Å; T187-D238 VanDerWaalsContact CG2-OD2 3.24Å; T187-D238 WeakPolarHBondContact CG2-OD2 3.33Å; T187-D238 PolarHBondContact OG1-OD2 3.39Å; E189-D238 WeakPolarHBondContact O-CB 3.34Å; E191-D238 PolarHBondContact N-O 2.83Å; M236-D238 PolarHBondContact O-N 3.4Å; M236-D238 VanDerWaalsContact O-N 3.12Å; D238-Q265 WeakPolarHBondContact CA-O 3.31Å; D238-Q265 HydrophobicContact CB-CB 3.95Å; D238-Q265 HydrophobicContact CB-CG 3.97Å; D238-Q265 PolarHBondContact N-O 3Å; D238-Q265 WeakPolarHBondContact OD1-CG 3.39Å; D238-L267 WeakPolarHBondContact O-CD1 3.41Å
239	D	86	Confident	88.5	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.016	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	177	-173.6	-150.3	-32.8	0	0	0	109.9	E191 P192 S193 L237 L243 V266 L267	E191-D239 VanDerWaalsContact C-OD2 3.31Å; E191-D239 WeakPolarHBondContact CA-OD2 3.38Å; P192-D239 HydrophobicContact CG-CB 4.41Å; S193-D239 WeakPolarHBondContact CB-OD2 3.22Å; S193-D239 PolarHBondContact N-OD2 3.42Å; S193-D239 PolarHBondContact OG-OD1 3.37Å; S193-D239 PolarHBondContact OG-OD2 2.89Å; L237-D239 HydrophobicContact CD1-CB 3.67Å; L237-D239 HydrophobicContact CG-CB 4.04Å; L237-D239 PolarHBondContact O-N 2.79Å; D239-L243 HydrophobicContact CB-CD1 3.79Å; D239-V266 CarbonylContact O-C 3.57Å; D239-V266 WeakPolarHBondContact O-CA 3.49Å; D239-L267 PolarHBondContact O-N 3.28Å
240	Q	78.1	Confident	88.6	Confident	85 Å²	85	57.9 Å²	57.9	40%	0.397	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	141.7	-179	27.9	164.6	-3.1	0	0	113.8	L242 L243	Q240-L242 PolarHBondContact O-N 3.49Å; Q240-L243 HydrophobicContact CG-CD1 4.16Å; Q240-L243 HydrophobicContact CG-CG 4.3Å; Q240-L243 PolarHBondContact O-N 2.92Å; Q240-L243 VanDerWaalsContact O-N 3.16Å
241	R	78.8	Confident	88.6	Confident	158 Å²	158	52.8 Å²	52.8	60%	0.596	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-55.8	-27.1	178.9	-163.7	179.9	86.4	102.8	1.8	113.9	L243 L244 V266	R241-L243 PolarHBondContact O-N 3.11Å; R241-L243 VanDerWaalsContact O-N 3.17Å; R241-L244 WeakPolarHBondContact O-CB 3.19Å; R241-L244 PolarHBondContact O-N 3.46Å; R241-V266 HydrophobicContact CB-CG1 3.61Å; R241-V266 HydrophobicContact CG-CG1 4.07Å
242	L	84.4	Confident	88.4	Confident	119 Å²	119	50.6 Å²	50.6	62%	0.623	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-62	-21.1	-178.2	-64.8	179.2	0	0	0	113.3	Q240 L244	Q240-L242 PolarHBondContact O-N 3.49Å; L242-L244 PolarHBondContact O-N 2.98Å
243	L	84.3	Confident	88.2	Confident	43 Å²	43	55 Å²	55	23%	0.225	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-77.1	-11.9	176.2	-59	174.3	0	0	0	112.5	L237 D239 Q240 R241 H246 W247	L237-L243 HydrophobicContact CD1-CB 3.97Å; L237-L243 HydrophobicContact CD1-CD1 4.01Å; D239-L243 HydrophobicContact CB-CD1 3.79Å; Q240-L243 HydrophobicContact CG-CD1 4.16Å; Q240-L243 HydrophobicContact CG-CG 4.3Å; Q240-L243 PolarHBondContact O-N 2.92Å; Q240-L243 VanDerWaalsContact O-N 3.16Å; R241-L243 PolarHBondContact O-N 3.11Å; R241-L243 VanDerWaalsContact O-N 3.17Å; L243-H246 PolarHBondContact O-N 3.43Å; L243-W247 HydrophobicContact CB-CG 4.43Å; L243-W247 PolarHBondContact O-N 3.32Å
244	L	82.6	Confident	88.1	Confident	42 Å²	42	51 Å²	51	22%	0.22	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	146	172.2	-65.7	175.5	0	0	0	111.4	L237 R241 L242 A248 F264 V266	L237-L244 HydrophobicContact CD2-CD1 3.87Å; L237-L244 HydrophobicContact CD2-CD2 3.83Å; L237-L244 HydrophobicContact CD2-CG 3.65Å; R241-L244 WeakPolarHBondContact O-CB 3.19Å; R241-L244 PolarHBondContact O-N 3.46Å; L242-L244 PolarHBondContact O-N 2.98Å; L244-A248 HydrophobicContact CD2-CB 3.67Å; L244-F264 HydrophobicContact CD1-CD2 4.06Å; L244-F264 HydrophobicContact CD1-CE2 3.85Å; L244-V266 HydrophobicContact CD1-CG2 3.67Å
245	P	92.7	Very high	87.9	Confident	83 Å²	83	54.6 Å²	54.6	54%	0.539	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89.2	1.4	5.9	35.9	-36.5	0	0	0	114	W247 A248 K249	P245-W247 PolarHBondContact O-N 2.75Å; P245-A248 PolarHBondContact O-N 3.08Å; P245-K249 WeakPolarHBondContact O-CG 3.49Å; P245-K249 PolarHBondContact O-N 2.82Å
246	H	93.3	Very high	87.8	Confident	110 Å²	110	59 Å²	59	51%	0.509	30%	0.301	S	S	.	.	H	α-helix	trans	-60.2	-49.2	-171.3	176.3	62.1	0	0	0	112.5	L243 A248 K249 V250	L243-H246 PolarHBondContact O-N 3.43Å; H246-A248 PolarHBondContact O-N 2.95Å; H246-K249 WeakPolarHBondContact O-CB 3.05Å; H246-K249 PolarHBondContact O-N 2.78Å; H246-K249 VanDerWaalsContact O-N 3.12Å; H246-V250 PolarHBondContact O-N 3.11Å
247	W	92	Very high	87.3	Confident	9 Å²	9	59 Å²	59	3%	0.034	30%	0.301	C	S	.	.	H	α-helix	trans	-55.4	-49.1	177.2	-113.8	49.8	0	0	0	112.9	P192 P209 Q212 M236 L237 L243 P245 K249 V250 V251	P192-W247 HydrophobicContact CB-CH2 3.57Å; P192-W247 HydrophobicContact CB-CZ2 4.01Å; P192-W247 HydrophobicContact CG-CH2 3.03Å; P192-W247 HydrophobicContact CG-CZ2 3.73Å; P192-W247 HydrophobicContact CG-CZ3 3.69Å; P209-W247 HydrophobicContact CB-CD2 4.34Å; P209-W247 HydrophobicContact CB-CG 3.98Å; P209-W247 VanDerWaalsContact CB-NE1 3.35Å; P209-W247 VanDerWaalsContact CD-NE1 3.3Å; Q212-W247 HydrophobicContact CB-CH2 4.09Å; Q212-W247 HydrophobicContact CB-CZ2 4.5Å; Q212-W247 HydrophobicContact CG-CH2 4.26Å; Q212-W247 HydrophobicContact CG-CZ3 4.45Å; M236-W247 HydrophobicContact CE-CB 4.39Å; M236-W247 HydrophobicContact CE-CE3 3.96Å; L237-W247 HydrophobicContact CB-CE3 3.62Å; L237-W247 HydrophobicContact CB-CZ3 4.02Å; L237-W247 HydrophobicContact CD1-CB 4.13Å; L237-W247 HydrophobicContact CD1-CD2 3.51Å; L237-W247 HydrophobicContact CD1-CE3 3.16Å; L237-W247 HydrophobicContact CD1-CG 3.94Å; L237-W247 HydrophobicContact CD1-CZ3 3.82Å; L237-W247 HydrophobicContact CG-CE3 3.94Å; L237-W247 HydrophobicContact CG-CZ3 4.46Å; L237-W247 VanDerWaalsContact N-CZ3 3.3Å; L243-W247 HydrophobicContact CB-CG 4.43Å; L243-W247 PolarHBondContact O-N 3.32Å; P245-W247 PolarHBondContact O-N 2.75Å; W247-K249 VanDerWaalsContact C-N 3.31Å; W247-K249 PolarHBondContact O-N 2.69Å; W247-V250 PolarHBondContact O-N 3.4Å; W247-V251 WeakPolarHBondContact O-CG2 3.38Å; W247-V251 PolarHBondContact O-N 3.13Å; W247-V251 VanDerWaalsContact O-N 3.11Å
248	A	87.6	Confident	86.9	Confident	15 Å²	15	60.6 Å²	60.6	12%	0.124	31%	0.314	C	S	.	.	H	α-helix	trans	-60.8	-40	178.2	0	0	0	0	0	111.8	L244 P245 H246 L252	L244-A248 HydrophobicContact CD2-CB 3.67Å; P245-A248 PolarHBondContact O-N 3.08Å; H246-A248 PolarHBondContact O-N 2.95Å; A248-L252 HydrophobicContact CB-CD1 4.07Å; A248-L252 WeakPolarHBondContact O-CA 3.29Å; A248-L252 WeakPolarHBondContact O-CB 3.41Å; A248-L252 VanDerWaalsContact O-CG 3.27Å; A248-L252 WeakPolarHBondContact O-CG 3.31Å; A248-L252 PolarHBondContact O-N 3.28Å
249	K	90.5	Very high	86.4	Confident	136 Å²	136	67.7 Å²	67.7	59%	0.591	35%	0.345	S	S	*	.	H	α-helix	trans	-62	-48.2	176.3	-73.1	177.1	179.4	-176.4	0	111.5	P245 H246 W247 V251 T253	P245-K249 WeakPolarHBondContact O-CG 3.49Å; P245-K249 PolarHBondContact O-N 2.82Å; H246-K249 WeakPolarHBondContact O-CB 3.05Å; H246-K249 PolarHBondContact O-N 2.78Å; H246-K249 VanDerWaalsContact O-N 3.12Å; W247-K249 VanDerWaalsContact C-N 3.31Å; W247-K249 PolarHBondContact O-N 2.69Å; K249-V251 VanDerWaalsContact C-N 3.35Å; K249-V251 PolarHBondContact O-N 3.14Å; K249-T253 VanDerWaalsContact O-CB 3.26Å; K249-T253 WeakPolarHBondContact O-CB 3.38Å; K249-T253 WeakPolarHBondContact O-CG2 3.34Å; K249-T253 PolarHBondContact O-N 3.37Å; K249-T253 PolarHBondContact O-OG1 3.1Å
250	V	94.6	Very high	85.6	Confident	20 Å²	20	68.8 Å²	68.8	12%	0.121	36%	0.357	C	S	.	.	H	α-helix	trans	-62.4	-43.6	-177.2	174.9	0	0	0	0	111.6	P209 E210 R213 H246 W247	P209-V250 HydrophobicContact CB-CB 3.79Å; P209-V250 HydrophobicContact CB-CG1 3.77Å; P209-V250 HydrophobicContact CB-CG2 4.11Å; P209-V250 HydrophobicContact CG-CB 4.49Å; P209-V250 HydrophobicContact CG-CG1 4.47Å; P209-V250 HydrophobicContact CG-CG2 4.29Å; E210-V250 HydrophobicContact CG-CG1 3.99Å; R213-V250 WeakPolarHBondContact CD-O 3.3Å; H246-V250 PolarHBondContact O-N 3.11Å; W247-V250 PolarHBondContact O-N 3.4Å
251	V	91	Very high	85.1	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-81.7	-45.8	-175.7	-176.9	0	0	0	0	112.2	R213 I216 M236 W247 K249 T253 D254 A257 L261	R213-V251 HydrophobicContact CB-CB 4.42Å; R213-V251 HydrophobicContact CB-CG1 4.41Å; R213-V251 HydrophobicContact CB-CG2 4.06Å; I216-V251 HydrophobicContact CD1-CG1 4.33Å; M236-V251 HydrophobicContact CE-CB 3.55Å; M236-V251 HydrophobicContact CE-CG1 4.08Å; M236-V251 HydrophobicContact CE-CG2 3.48Å; M236-V251 VanDerWaalsContact CE-CG2 3.48Å; M236-V251 HydrophobicContact SD-CB 3.69Å; M236-V251 HydrophobicContact SD-CG1 3.7Å; M236-V251 HydrophobicContact SD-CG2 4.24Å; W247-V251 WeakPolarHBondContact O-CG2 3.38Å; W247-V251 PolarHBondContact O-N 3.13Å; W247-V251 VanDerWaalsContact O-N 3.11Å; K249-V251 VanDerWaalsContact C-N 3.35Å; K249-V251 PolarHBondContact O-N 3.14Å; V251-T253 PolarHBondContact O-N 3.49Å; V251-D254 PolarHBondContact O-N 3.31Å; V251-A257 HydrophobicContact CG1-CB 4.18Å; V251-L261 HydrophobicContact CG1-CD1 3.41Å; V251-L261 VanDerWaalsContact CG1-CD1 3.41Å
252	L	87.7	Confident	84.1	Confident	76 Å²	76	61.1 Å²	61.1	40%	0.398	34%	0.335	S	S	.	.	H	α-helix	trans	-81.1	-14.1	-172.7	-58.2	175.8	0	0	0	114.1	M236 A248 D254 L261	M236-L252 HydrophobicContact SD-CD2 3.99Å; M236-L252 HydrophobicContact SD-CG 4.07Å; A248-L252 HydrophobicContact CB-CD1 4.07Å; A248-L252 WeakPolarHBondContact O-CA 3.29Å; A248-L252 WeakPolarHBondContact O-CB 3.41Å; A248-L252 VanDerWaalsContact O-CG 3.27Å; A248-L252 WeakPolarHBondContact O-CG 3.31Å; A248-L252 PolarHBondContact O-N 3.28Å; L252-D254 VanDerWaalsContact C-N 3.29Å; L252-L261 HydrophobicContact CD2-CD1 4Å
253	T	90.7	Very high	83.4	Confident	111 Å²	111	56.6 Å²	56.6	68%	0.681	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-16.2	173.1	56.1	0	0	0	0	112.8	K249 V251	K249-T253 VanDerWaalsContact O-CB 3.26Å; K249-T253 WeakPolarHBondContact O-CB 3.38Å; K249-T253 WeakPolarHBondContact O-CG2 3.34Å; K249-T253 PolarHBondContact O-N 3.37Å; K249-T253 PolarHBondContact O-OG1 3.1Å; V251-T253 PolarHBondContact O-N 3.49Å
254	D	90.1	Very high	82.2	Confident	40 Å²	40	59.3 Å²	59.3	21%	0.214	33%	0.327	C	S	.	.	S	Bend	trans	-85.7	116.1	171	-174.5	-35.7	0	0	0	109.8	R213 V251 L252 E256 A257 A258	R213-D254 WeakPolarHBondContact CD-OD2 3.15Å; R213-D254 HydrophobicContact CG-CB 3.91Å; R213-D254 IonicContact NE-OD2 3.03Å; V251-D254 PolarHBondContact O-N 3.31Å; L252-D254 VanDerWaalsContact C-N 3.29Å; D254-E256 VanDerWaalsContact C-N 3.28Å; D254-E256 PolarHBondContact O-N 3Å; D254-E256 PolarHBondContact OD1-N 2.78Å; D254-A257 HydrophobicContact CB-CB 4.14Å; D254-A257 PolarHBondContact O-N 3.03Å; D254-A257 PolarHBondContact OD1-N 3.33Å; D254-A258 VanDerWaalsContact O-CB 3.28Å; D254-A258 WeakPolarHBondContact O-CB 3.46Å; D254-A258 PolarHBondContact O-N 2.8Å
255	P	88.6	Confident	81.1	Confident	81 Å²	81	58.7 Å²	58.7	53%	0.526	32%	0.323	S	S	.	.	H	α-helix	trans	-66.4	-28.3	-175.9	27.7	-34.8	0	0	0	113.1	K259	P255-K259 WeakPolarHBondContact O-CD 3.33Å; P255-K259 WeakPolarHBondContact O-CG 3.31Å; P255-K259 PolarHBondContact O-N 2.9Å; P255-K259 VanDerWaalsContact O-N 3.14Å
256	E	86.7	Confident	79.2	Confident	106 Å²	106	57 Å²	57	50%	0.495	31%	0.311	S	S	.	.	H	α-helix	trans	-74.9	-38.7	179.8	-61.2	-49.1	127.9	0	0	111	A217 D254 K259	A217-E256 HydrophobicContact CB-CB 4.16Å; D254-E256 VanDerWaalsContact C-N 3.28Å; D254-E256 PolarHBondContact O-N 3Å; D254-E256 PolarHBondContact OD1-N 2.78Å; E256-K259 VanDerWaalsContact CD-NZ 3.27Å; E256-K259 IonicContact OE1-NZ 3.74Å; E256-K259 PolarHBondContact OE1-NZ 3.24Å; E256-K259 IonicContact OE2-NZ 2.7Å; E256-K259 PolarHBondContact OE2-NZ 3.19Å; E256-K259 VanDerWaalsContact OE2-NZ 3.07Å
257	A	78.3	Confident	77.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-67.8	-42.9	171.2	0	0	0	0	0	111.7	R213 I216 A217 V251 D254 K259 G260 L261	R213-A257 HydrophobicContact CG-CB 3.76Å; I216-A257 HydrophobicContact CG2-CB 4.48Å; A217-A257 HydrophobicContact CB-CB 4.08Å; V251-A257 HydrophobicContact CG1-CB 4.18Å; D254-A257 HydrophobicContact CB-CB 4.14Å; D254-A257 PolarHBondContact O-N 3.03Å; D254-A257 PolarHBondContact OD1-N 3.33Å; A257-K259 VanDerWaalsContact C-N 3.34Å; A257-K259 PolarHBondContact O-N 3.46Å; A257-G260 PolarHBondContact O-N 3.28Å; A257-L261 WeakPolarHBondContact O-CG 3.47Å
258	A	78.6	Confident	75.2	Confident	34 Å²	34	55 Å²	55	28%	0.281	31%	0.314	S	S	.	.	H	α-helix	trans	-64.1	-34.3	-176.8	0	0	0	0	0	113.3	D254 G260 L261	D254-A258 VanDerWaalsContact O-CB 3.28Å; D254-A258 WeakPolarHBondContact O-CB 3.46Å; D254-A258 PolarHBondContact O-N 2.8Å; A258-G260 VanDerWaalsContact C-N 3.28Å; A258-G260 PolarHBondContact O-N 2.9Å; A258-L261 PolarHBondContact O-N 3.15Å; A258-L261 VanDerWaalsContact O-N 3.15Å
259	K	78.8	Confident	72.7	Confident	150 Å²	150	58.4 Å²	58.4	65%	0.652	34%	0.341	S	S	*	.	H	α-helix	trans	-60	-36.6	176.6	-77.4	165.7	-170.4	171.2	0	112.9	P255 E256 A257 L261	P255-K259 WeakPolarHBondContact O-CD 3.33Å; P255-K259 WeakPolarHBondContact O-CG 3.31Å; P255-K259 PolarHBondContact O-N 2.9Å; P255-K259 VanDerWaalsContact O-N 3.14Å; E256-K259 VanDerWaalsContact CD-NZ 3.27Å; E256-K259 IonicContact OE1-NZ 3.74Å; E256-K259 PolarHBondContact OE1-NZ 3.24Å; E256-K259 IonicContact OE2-NZ 2.7Å; E256-K259 PolarHBondContact OE2-NZ 3.19Å; E256-K259 VanDerWaalsContact OE2-NZ 3.07Å; A257-K259 VanDerWaalsContact C-N 3.34Å; A257-K259 PolarHBondContact O-N 3.46Å; K259-L261 VanDerWaalsContact C-N 3.29Å
260	G	68.1	Low	69.8	Low	27 Å²	27	57.4 Å²	57.4	28%	0.278	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-8.1	179.2	0	0	0	0	0	114	A257 A258	A257-G260 PolarHBondContact O-N 3.28Å; A258-G260 VanDerWaalsContact C-N 3.28Å; A258-G260 PolarHBondContact O-N 2.9Å
261	L	68.4	Low	66.7	Low	21 Å²	21	60.1 Å²	60.1	11%	0.11	36%	0.358	C	S	.	.			trans	-105	140.2	-170.6	-77	171.8	0	0	0	113.4	I216 L234 M236 V251 L252 A257 A258 K259	I216-L261 HydrophobicContact CD1-CD1 4.3Å; I216-L261 HydrophobicContact CD1-CD2 4.13Å; I216-L261 HydrophobicContact CG2-CD1 4.41Å; I216-L261 HydrophobicContact CG2-CD2 4.38Å; I216-L261 HydrophobicContact CG2-CG 4.08Å; L234-L261 HydrophobicContact CB-CD2 4.35Å; L234-L261 HydrophobicContact CD2-CD2 4.09Å; L234-L261 HydrophobicContact CG-CD2 3.86Å; M236-L261 HydrophobicContact CB-CD1 4.21Å; M236-L261 HydrophobicContact CB-CD2 3.9Å; M236-L261 HydrophobicContact CG-CD1 4.26Å; M236-L261 HydrophobicContact CG-CD2 4.37Å; M236-L261 HydrophobicContact SD-CD1 3.97Å; V251-L261 HydrophobicContact CG1-CD1 3.41Å; V251-L261 VanDerWaalsContact CG1-CD1 3.41Å; L252-L261 HydrophobicContact CD2-CD1 4Å; A257-L261 WeakPolarHBondContact O-CG 3.47Å; A258-L261 PolarHBondContact O-N 3.15Å; A258-L261 VanDerWaalsContact O-N 3.15Å; K259-L261 VanDerWaalsContact C-N 3.29Å
262	C	57.9	Low	63.9	Low	60 Å²	60	62 Å²	62	41%	0.405	37%	0.374	S	S	.	.			trans	-108.5	-16.9	177	-64.7	0	0	0	0	112.8	R233 L234	R233-C262 HydrophobicContact CB-CB 3.85Å; R233-C262 WeakPolarHBondContact CD-SG 3.21Å; R233-C262 HydrophobicContact CG-CB 4.31Å; L234-C262 PolarHBondContact O-N 3.48Å
263	G	70.3	Confident	61.1	Low	25 Å²	25	61.3 Å²	61.3	26%	0.258	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	172.1	-167.4	179.4	0	0	0	0	0	112.6	L235 M236	L235-G263 WeakPolarHBondContact CA-O 3.43Å; M236-G263 WeakPolarHBondContact CG-O 3.2Å; M236-G263 PolarHBondContact N-O 2.96Å
264	F	57.9	Low	58.4	Low	99 Å²	99	64.5 Å²	64.5	43%	0.434	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	145.9	174.3	54.9	-92.6	0	0	0	110.1	M236 L237 L244 V266	M236-F264 HydrophobicContact CG-CB 3.55Å; M236-F264 CarbonylContact O-C 3.41Å; M236-F264 VanDerWaalsContact O-CA 3.28Å; M236-F264 WeakPolarHBondContact O-CA 3.41Å; M236-F264 HydrophobicContact SD-CB 4.38Å; L237-F264 HydrophobicContact CB-CB 4.27Å; L244-F264 HydrophobicContact CD1-CD2 4.06Å; L244-F264 HydrophobicContact CD1-CE2 3.85Å; F264-V266 HydrophobicContact CD2-CG2 3.88Å; F264-V266 HydrophobicContact CE2-CG2 4.12Å
265	Q	60.7	Low	55.8	Low	29 Å²	29	66 Å²	66	14%	0.136	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	139.1	178.1	179.2	60.6	16.4	0	0	109.7	M21 T187 L235 M236 L237 D238	M21-Q265 HydrophobicContact CE-CG 4.42Å; M21-Q265 PolarHBondContact SD-NE2 3.23Å; T187-Q265 HydrophobicContact CG2-CB 4.23Å; T187-Q265 HydrophobicContact CG2-CG 4.31Å; L235-Q265 HydrophobicContact CB-CB 4.31Å; L235-Q265 HydrophobicContact CD1-CB 4.38Å; M236-Q265 PolarHBondContact O-N 3.15Å; L237-Q265 VanDerWaalsContact CB-O 3.26Å; L237-Q265 WeakPolarHBondContact CB-O 3.3Å; L237-Q265 WeakPolarHBondContact CD2-O 3.11Å; L237-Q265 WeakPolarHBondContact CG-O 3.34Å; D238-Q265 WeakPolarHBondContact CA-O 3.31Å; D238-Q265 HydrophobicContact CB-CB 3.95Å; D238-Q265 HydrophobicContact CB-CG 3.97Å; D238-Q265 PolarHBondContact N-O 3Å; D238-Q265 WeakPolarHBondContact OD1-CG 3.39Å
266	V	50.8	Low	53.3	Low	47 Å²	47	65 Å²	65	29%	0.285	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.9	-180	-177.7	0	0	0	0	109.6	L237 D239 R241 L244 F264	L237-V266 HydrophobicContact CD2-CG2 3.99Å; D239-V266 CarbonylContact O-C 3.57Å; D239-V266 WeakPolarHBondContact O-CA 3.49Å; R241-V266 HydrophobicContact CB-CG1 3.61Å; R241-V266 HydrophobicContact CG-CG1 4.07Å; L244-V266 HydrophobicContact CD1-CG2 3.67Å; F264-V266 HydrophobicContact CD2-CG2 3.88Å; F264-V266 HydrophobicContact CE2-CG2 4.12Å
267	L	57.2	Low	50.6	Low	43 Å²	43	61.3 Å²	61.3	23%	0.225	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	130.5	172.2	-61.6	179.6	0	0	0	110.2	E191 D238 D239	E191-L267 HydrophobicContact CG-CD1 3.37Å; D238-L267 WeakPolarHBondContact O-CD1 3.41Å; D239-L267 PolarHBondContact O-N 3.28Å
268	G	44.2	Very low	48.3	Very low	36 Å²	36	67.1 Å²	67.1	37%	0.371	41%	0.407	S	S	.	.			trans	-116	63.4	-173.2	0	0	0	0	0	113.1	E270 C271 A272	G268-E270 PolarHBondContact O-N 3.03Å; G268-C271 PolarHBondContact O-N 2.87Å; G268-C271 VanDerWaalsContact O-N 3.14Å; G268-A272 PolarHBondContact O-N 3.02Å
269	A	35.4	Very low	45.9	Very low	85 Å²	85	76.1 Å²	76.1	70%	0.702	43%	0.434	S	S	*	.	H	α-helix	trans	-58.6	-37.3	169.4	0	0	0	0	0	111.3
270	E	30.5	Very low	43.5	Very low	116 Å²	116	75.1 Å²	75.1	54%	0.542	44%	0.435	S	S	.	.	H	α-helix	trans	-74	-26.4	174.8	-67.6	-175.2	160.9	0	0	113.8	G268 A273 R274	G268-E270 PolarHBondContact O-N 3.03Å; E270-A273 PolarHBondContact O-N 3.21Å; E270-R274 PolarHBondContact O-N 3.03Å
271	C	30	Very low	41.6	Very low	76 Å²	76	77.6 Å²	77.6	51%	0.514	45%	0.453	S	S	.	.	H	α-helix	trans	-67.6	-38.2	179.6	-70.8	0	0	0	0	111.3	G268 R274 L275	G268-C271 PolarHBondContact O-N 2.87Å; G268-C271 VanDerWaalsContact O-N 3.14Å; C271-R274 PolarHBondContact O-N 3.11Å; C271-L275 WeakPolarHBondContact O-CB 3.12Å; C271-L275 WeakPolarHBondContact O-CG 3.38Å; C271-L275 PolarHBondContact O-N 3.26Å
272	A	31	Very low	39.6	Very low	41 Å²	41	82.5 Å²	82.5	34%	0.339	48%	0.484	S	S	.	.	H	α-helix	trans	-64.4	-43.8	173	0	0	0	0	0	111.7	G268 R274 L275 L276	G268-A272 PolarHBondContact O-N 3.02Å; A272-R274 VanDerWaalsContact C-N 3.32Å; A272-R274 PolarHBondContact O-N 2.99Å; A272-L275 PolarHBondContact O-N 3.44Å; A272-L276 WeakPolarHBondContact O-CB 3.43Å; A272-L276 WeakPolarHBondContact O-CG 3.37Å; A272-L276 PolarHBondContact O-N 3.17Å
273	A	28.5	Very low	37.8	Very low	61 Å²	61	87.7 Å²	87.7	50%	0.504	50%	0.502	S	S	.	.	H	α-helix	trans	-63.9	-34.2	177.3	0	0	0	0	0	113.2	E270 G277	E270-A273 PolarHBondContact O-N 3.21Å; A273-G277 PolarHBondContact O-N 2.93Å
274	R	34.6	Very low	35.8	Very low	178 Å²	178	91.2 Å²	91.2	67%	0.672	52%	0.52	S	S	*	.	H	α-helix	trans	-75.1	-32.5	175.6	-113.2	175.1	168.3	167.6	-4.2	113.7	E270 C271 A272 R364	E270-R274 PolarHBondContact O-N 3.03Å; C271-R274 PolarHBondContact O-N 3.11Å; A272-R274 VanDerWaalsContact C-N 3.32Å; A272-R274 PolarHBondContact O-N 2.99Å; R274-R364 PolarHBondContact O-NH1 2.84Å
275	L	35.7	Very low	34.2	Very low	71 Å²	71	94 Å²	94	37%	0.372	54%	0.535	S	S	.	.	H	α-helix	trans	-70.1	-38.3	173.5	-80.3	164.5	0	0	0	111.9	C271 A272 L362	C271-L275 WeakPolarHBondContact O-CB 3.12Å; C271-L275 WeakPolarHBondContact O-CG 3.38Å; C271-L275 PolarHBondContact O-N 3.26Å; A272-L275 PolarHBondContact O-N 3.44Å; L275-L362 HydrophobicContact CD2-CD2 4.26Å
276	L	36.3	Very low	32.6	Very low	60 Å²	60	101.6 Å²	101.6	31%	0.314	57%	0.57	S	S	.	*	H	α-helix	trans	-81.4	-12	-175	-74.7	167.2	0	0	0	114.7	A272 M317	A272-L276 WeakPolarHBondContact O-CB 3.43Å; A272-L276 WeakPolarHBondContact O-CG 3.37Å; A272-L276 PolarHBondContact O-N 3.17Å; L276-M317 HydrophobicContact CD1-CG 4.17Å; L276-M317 HydrophobicContact CD1-SD 3.89Å; L276-M317 HydrophobicContact CD2-CG 3.78Å; L276-M317 HydrophobicContact CD2-SD 4.47Å; L276-M317 HydrophobicContact CG-CG 4.32Å
277	G	28.9	Very low	31.5	Very low	29 Å²	29	106.8 Å²	106.8	30%	0.299	59%	0.591	S	S	.	*			trans	66.5	129.3	-171.3	0	0	0	0	0	110.3	A273 R279	A273-G277 PolarHBondContact O-N 2.93Å; G277-R279 PolarHBondContact O-N 3.16Å
278	S	30.8	Very low	30.2	Very low	122 Å²	122	114.2 Å²	114.2	85%	0.853	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	33.9	-174	53.4	0	0	0	0	114.7
279	R	29	Very low	29.4	Very low	223 Å²	223	121.5 Å²	121.5	84%	0.842	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.4	-18.9	178.2	-72.5	-171	177.2	-169.7	-0.8	115.2	G277	G277-R279 PolarHBondContact O-N 3.16Å
280	D	27.7	Very low	28.8	Very low	129 Å²	129	122.5 Å²	122.5	69%	0.69	64%	0.644	S	S	*	*			trans	-103.1	15.2	-180	-67.9	-28.6	0	0	0	113.9	V282	D280-V282 PolarHBondContact O-N 2.9Å
281	A	27.9	Very low	28.6	Very low	79 Å²	79	123.2 Å²	123.2	65%	0.653	66%	0.659	S	S	*	*			trans	-66.5	82.7	154.6	0	0	0	0	0	107.5	Q283	A281-Q283 PolarHBondContact O-N 2.88Å
282	V	25.9	Very low	28.9	Very low	123 Å²	123	124.9 Å²	124.9	75%	0.745	67%	0.667	S	S	*	*			trans	-52.3	108.1	164.2	173.4	0	0	0	0	105.6	D280	D280-V282 PolarHBondContact O-N 2.9Å
283	Q	21.1	Very low	28.9	Very low	169 Å²	169	128.4 Å²	128.4	79%	0.79	69%	0.686	S	S	*	*			trans	-51.3	127.2	163.6	-77.4	-166.9	-26.1	0	0	106.5	A281 Q285	A281-Q283 PolarHBondContact O-N 2.88Å; Q283-Q285 PolarHBondContact O-N 3.33Å
284	P	28	Very low	29	Very low	99 Å²	99	130.7 Å²	130.7	64%	0.643	70%	0.698	S	S	*	*			trans	-54.5	113.8	173.7	-19.1	29	0	0	0	107.1	H286	P284-H286 PolarHBondContact O-N 2.86Å
285	Q	23.4	Very low	29	Very low	159 Å²	159	125.7 Å²	125.7	74%	0.743	70%	0.701	S	S	*	*			trans	-57.3	120	167.3	-73.2	-174.6	-12.7	0	0	106.1	Q283 H287	Q283-Q285 PolarHBondContact O-N 3.33Å; Q285-H287 VanDerWaalsContact C-N 3.28Å; Q285-H287 PolarHBondContact O-N 3.45Å
286	H	28	Very low	29.3	Very low	188 Å²	188	129.9 Å²	129.9	87%	0.87	71%	0.712	S	S	*	*			trans	-59.4	89	179.4	-77.1	-71.3	0	0	0	110.1	P284	P284-H286 PolarHBondContact O-N 2.86Å
287	H	27.5	Very low	29.6	Very low	156 Å²	156	131.8 Å²	131.8	72%	0.722	72%	0.722	S	S	*	*			trans	-97.3	112.5	158.6	-75.9	-36.6	0	0	0	107.6	Q285 K289	Q285-H287 VanDerWaalsContact C-N 3.28Å; Q285-H287 PolarHBondContact O-N 3.45Å; H287-K289 PolarHBondContact O-N 3.02Å
288	H	29.1	Very low	30.3	Very low	199 Å²	199	137.7 Å²	137.7	92%	0.921	75%	0.747	S	S	*	*			trans	-43.7	102.7	175.2	-74.6	-57.1	0	0	0	111.2
289	K	27.2	Very low	31.5	Very low	188 Å²	188	137.7 Å²	137.7	82%	0.817	73%	0.728	S	S	*	*			trans	-105.4	141.1	162.6	-79.4	-175	177.2	-179.3	0	108.6	H287	H287-K289 PolarHBondContact O-N 3.02Å
290	P	24.5	Very low	32.8	Very low	106 Å²	106	132.8 Å²	132.8	69%	0.688	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-63.7	155.7	-179.2	26.8	-33.2	0	0	0	111.3	V292	P290-V292 PolarHBondContact O-N 2.83Å
291	P	26.2	Very low	34.4	Very low	132 Å²	132	128 Å²	128	86%	0.857	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-67.1	125.4	-172.2	27.3	-32.9	0	0	0	110.8
292	V	36.1	Very low	36.1	Very low	111 Å²	111	124.7 Å²	124.7	67%	0.673	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-99.5	130.6	178.4	-135.9	0	0	0	0	108.6	P290	P290-V292 PolarHBondContact O-N 2.83Å
293	P	30.3	Very low	38.1	Very low	114 Å²	114	118.9 Å²	118.9	74%	0.74	63%	0.628	S	S	*	*	S	Bend	trans	-79.8	144.1	-179.8	31.6	-31.3	0	0	0	110.5
294	C	31.5	Very low	40.5	Very low	110 Å²	110	114.2 Å²	114.2	74%	0.743	61%	0.608	S	S	*	*	S	Bend	trans	87.8	118.6	-172.3	-50	0	0	0	0	113.4	R296	C294-R296 VanDerWaalsContact C-N 3.34Å; C294-R296 PolarHBondContact O-N 3.21Å
295	G	33.5	Very low	42.4	Very low	73 Å²	73	112 Å²	112	75%	0.753	59%	0.592	S	S	*	*			trans	-66.9	77.6	-166	0	0	0	0	0	114.8	L297	G295-L297 PolarHBondContact O-N 3.09Å
296	R	42.5	Very low	44.8	Very low	158 Å²	158	105.7 Å²	105.7	60%	0.596	56%	0.564	S	S	*	*			trans	-64.6	120.3	169.6	-72.1	-172.8	-164.3	-149.7	1.1	109.6	C294	C294-R296 VanDerWaalsContact C-N 3.34Å; C294-R296 PolarHBondContact O-N 3.21Å
297	L	41.8	Very low	46.7	Very low	100 Å²	100	100.9 Å²	100.9	52%	0.524	54%	0.544	S	S	.	.			trans	-69.7	122.6	150	-86.7	94.1	0	0	0	107.1	F202 G295 R299	F202-L297 HydrophobicContact CE1-CD1 4.19Å; G295-L297 PolarHBondContact O-N 3.09Å; L297-R299 HydrophobicContact CB-CG 4.13Å; L297-R299 PolarHBondContact O-N 2.94Å
298	D	43.5	Very low	48.7	Very low	154 Å²	154	99 Å²	99	82%	0.824	54%	0.543	S	S	*	.			trans	-65.3	98.6	168.3	-71.4	-31.4	0	0	0	108.6
299	R	56.8	Low	50.8	Low	121 Å²	121	95.3 Å²	95.3	46%	0.457	52%	0.524	S	S	.	.			trans	-104.4	140.3	174.9	-61.6	-158.4	-168.6	-166.7	3.9	110.4	L297	L297-R299 HydrophobicContact CB-CG 4.13Å; L297-R299 PolarHBondContact O-N 2.94Å
300	L	55.4	Low	52.8	Low	120 Å²	120	90.2 Å²	90.2	63%	0.628	50%	0.503	S	S	*	.			trans	-78.4	133.4	174.1	-69.3	170.3	0	0	0	110.1	M317	L300-M317 HydrophobicContact CB-SD 4.22Å
301	E	63.2	Low	55.1	Low	30 Å²	30	87.7 Å²	87.7	14%	0.14	49%	0.486	C	S	.	.			trans	-113.8	149.1	177.6	-64.7	-169.8	-170.4	0	0	111.6	L31 I303 Q315	L31-E301 VanDerWaalsContact CD1-CD 3.47Å; L31-E301 WeakPolarHBondContact CD1-OE1 3.33Å; L31-E301 WeakPolarHBondContact CD1-OE2 3.48Å; E301-I303 PolarHBondContact O-N 3.43Å; E301-Q315 VanDerWaalsContact O-CG 3.28Å; E301-Q315 WeakPolarHBondContact O-CG 3.24Å
302	P	62.6	Low	57.5	Low	9 Å²	9	83.6 Å²	83.6	6%	0.058	46%	0.455	C	S	.	.	S	Bend	trans	-59.3	-26.6	176.4	-29.7	39.6	0	0	0	114.5	Q315 M317 F318 L321	P302-Q315 WeakPolarHBondContact O-CB 3.41Å; P302-Q315 PolarHBondContact O-N 3.1Å; P302-M317 HydrophobicContact CB-CB 4.26Å; P302-M317 HydrophobicContact CG-CB 4.15Å; P302-M317 HydrophobicContact CG-CE 3.74Å; P302-F318 HydrophobicContact CB-CB 3.98Å; P302-F318 WeakPolarHBondContact O-CB 3.29Å; P302-L321 HydrophobicContact CG-CD1 3.91Å
303	I	68	Low	59.3	Low	1 Å²	1	83.1 Å²	83.1	1%	0.005	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.7	176.7	-68.9	158.1	0	0	0	108.2	L28 T60 E301 V305 F312 Y313 K314 F318	L28-I303 HydrophobicContact CD1-CB 3.87Å; L28-I303 HydrophobicContact CD1-CD1 4.1Å; L28-I303 HydrophobicContact CD1-CG2 4.06Å; T60-I303 HydrophobicContact CG2-CD1 3.82Å; T60-I303 HydrophobicContact CG2-CG2 4.4Å; E301-I303 PolarHBondContact O-N 3.43Å; I303-V305 HydrophobicContact CG2-CG2 4.36Å; I303-F312 HydrophobicContact CG2-CB 4.02Å; I303-F312 HydrophobicContact CG2-CD2 3.92Å; I303-F312 HydrophobicContact CG2-CG 4.35Å; I303-Y313 WeakPolarHBondContact CA-O 3.37Å; I303-K314 HydrophobicContact CG1-CG 4.43Å; I303-F318 HydrophobicContact CD1-CD2 3.67Å; I303-F318 HydrophobicContact CD1-CE2 3.81Å; I303-F318 HydrophobicContact CG1-CD2 3.8Å; I303-F318 HydrophobicContact CG1-CE2 4.35Å
304	I	70.9	Confident	61.6	Low	71 Å²	71	81.5 Å²	81.5	36%	0.364	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.8	174.2	-58	-178	0	0	0	108.2	F312 Y313 Q315	I304-F312 CarbonylContact O-C 3.54Å; I304-F312 WeakPolarHBondContact O-CA 3.46Å; I304-Y313 HydrophobicContact CB-CD2 4.48Å; I304-Y313 PolarHBondContact N-O 2.79Å; I304-Y313 PolarHBondContact O-N 3.28Å; I304-Q315 HydrophobicContact CD1-CG 4.14Å; I304-Q315 VanDerWaalsContact CD1-NE2 3.3Å; I304-Q315 HydrophobicContact CG1-CG 4.1Å
305	V	68.4	Low	63.8	Low	51 Å²	51	79 Å²	79	31%	0.309	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.4	178.1	-177.6	0	0	0	0	109.7	I303 I307 F312	I303-V305 HydrophobicContact CG2-CG2 4.36Å; V305-I307 HydrophobicContact CG1-CG2 4.09Å; V305-F312 HydrophobicContact CG2-CB 4.15Å
306	D	72.8	Confident	66.2	Low	28 Å²	28	79.1 Å²	79.1	15%	0.15	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	96.5	167.8	-174.9	-20.2	0	0	0	108.6	T308 K309 H310 T311 Y313	D306-T308 PolarHBondContact O-N 3.4Å; D306-T308 WeakPolarHBondContact OD1-CB 3.4Å; D306-T308 PolarHBondContact OD1-N 2.9Å; D306-T308 PolarHBondContact OD1-OG1 3.05Å; D306-K309 HydrophobicContact CB-CB 4.42Å; D306-K309 PolarHBondContact O-N 3.11Å; D306-K309 PolarHBondContact OD1-N 3.23Å; D306-K309 VanDerWaalsContact OD1-N 3.17Å; D306-K309 VanDerWaalsContact OD2-CD 3.29Å; D306-K309 WeakPolarHBondContact OD2-CD 3.38Å; D306-K309 WeakPolarHBondContact OD2-CE 3.12Å; D306-K309 WeakPolarHBondContact OD2-CG 3.5Å; D306-K309 IonicContact OD2-NZ 2.73Å; D306-K309 PolarHBondContact OD2-NZ 3.01Å; D306-H310 PolarHBondContact O-N 2.72Å; D306-T311 PolarHBondContact N-O 2.9Å; D306-T311 PolarHBondContact O-N 3.48Å; D306-T311 VanDerWaalsContact O-N 3.1Å; D306-Y313 HydrophobicContact CB-CE2 3.88Å
307	I	68.3	Low	67.7	Low	87 Å²	87	73.3 Å²	73.3	45%	0.446	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.9	-179.4	61.6	173.2	0	0	0	112.4	V305 K309 H310	V305-I307 HydrophobicContact CG1-CG2 4.09Å; I307-K309 VanDerWaalsContact C-N 3.3Å; I307-K309 PolarHBondContact O-N 2.95Å; I307-H310 PolarHBondContact O-N 3.44Å
308	T	70.9	Confident	69.3	Low	115 Å²	115	68.9 Å²	68.9	71%	0.706	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-29.1	-177.6	68.7	0	0	0	0	111.7	D306	D306-T308 PolarHBondContact O-N 3.4Å; D306-T308 WeakPolarHBondContact OD1-CB 3.4Å; D306-T308 PolarHBondContact OD1-N 2.9Å; D306-T308 PolarHBondContact OD1-OG1 3.05Å
309	K	73.3	Confident	71.2	Confident	123 Å²	123	67.5 Å²	67.5	54%	0.535	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-1.3	177.8	-61.6	-175.4	-163.5	121.7	0	113.2	D306 I307 T311	D306-K309 HydrophobicContact CB-CB 4.42Å; D306-K309 PolarHBondContact O-N 3.11Å; D306-K309 PolarHBondContact OD1-N 3.23Å; D306-K309 VanDerWaalsContact OD1-N 3.17Å; D306-K309 VanDerWaalsContact OD2-CD 3.29Å; D306-K309 WeakPolarHBondContact OD2-CD 3.38Å; D306-K309 WeakPolarHBondContact OD2-CE 3.12Å; D306-K309 WeakPolarHBondContact OD2-CG 3.5Å; D306-K309 IonicContact OD2-NZ 2.73Å; D306-K309 PolarHBondContact OD2-NZ 3.01Å; I307-K309 VanDerWaalsContact C-N 3.3Å; I307-K309 PolarHBondContact O-N 2.95Å; K309-T311 HydrophobicContact CB-CG2 4.23Å; K309-T311 VanDerWaalsContact O-CG2 3.29Å; K309-T311 WeakPolarHBondContact O-CG2 3.45Å; K309-T311 PolarHBondContact O-N 2.71Å
310	H	68.6	Low	72.5	Confident	81 Å²	81	63.9 Å²	63.9	38%	0.375	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	37.2	-171.7	-57.3	-71.4	0	0	0	112.9	A52 D306 I307	A52-H310 HydrophobicContact CB-CB 4.47Å; D306-H310 PolarHBondContact O-N 2.72Å; I307-H310 PolarHBondContact O-N 3.44Å
311	T	73.3	Confident	73.5	Confident	53 Å²	53	60.1 Å²	60.1	33%	0.325	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	160.2	-178	60.5	0	0	0	0	111	D306 K309	D306-T311 PolarHBondContact N-O 2.9Å; D306-T311 PolarHBondContact O-N 3.48Å; D306-T311 VanDerWaalsContact O-N 3.1Å; K309-T311 HydrophobicContact CB-CG2 4.23Å; K309-T311 VanDerWaalsContact O-CG2 3.29Å; K309-T311 WeakPolarHBondContact O-CG2 3.45Å; K309-T311 PolarHBondContact O-N 2.71Å
312	F	75.9	Confident	74.3	Confident	46 Å²	46	58.9 Å²	58.9	20%	0.202	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	148.6	171.9	67.3	-87.5	0	0	0	110.1	R59 I303 I304 V305 K314	R59-F312 HydrophobicContact CB-CE1 3.65Å; R59-F312 HydrophobicContact CB-CZ 4.02Å; I303-F312 HydrophobicContact CG2-CB 4.02Å; I303-F312 HydrophobicContact CG2-CD2 3.92Å; I303-F312 HydrophobicContact CG2-CG 4.35Å; I304-F312 CarbonylContact O-C 3.54Å; I304-F312 WeakPolarHBondContact O-CA 3.46Å; V305-F312 HydrophobicContact CG2-CB 4.15Å; F312-K314 HydrophobicContact CD2-CG 4.28Å; F312-K314 HydrophobicContact CE2-CD 4.42Å; F312-K314 HydrophobicContact CE2-CG 4.01Å
313	Y	73.4	Confident	75.6	Confident	101 Å²	101	60.6 Å²	60.6	40%	0.396	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.6	-176.8	-54.5	-69.4	0	0	0	109.2	I303 I304 D306	I303-Y313 WeakPolarHBondContact CA-O 3.37Å; I304-Y313 HydrophobicContact CB-CD2 4.48Å; I304-Y313 PolarHBondContact N-O 2.79Å; I304-Y313 PolarHBondContact O-N 3.28Å; D306-Y313 HydrophobicContact CB-CE2 3.88Å
314	K	78.4	Confident	76.4	Confident	79 Å²	79	62.6 Å²	62.6	34%	0.343	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	114.7	172.6	-62.7	176.8	-178.8	-176.3	0	108.8	I303 F312 F318 Y319	I303-K314 HydrophobicContact CG1-CG 4.43Å; F312-K314 HydrophobicContact CD2-CG 4.28Å; F312-K314 HydrophobicContact CE2-CD 4.42Å; F312-K314 HydrophobicContact CE2-CG 4.01Å; K314-F318 HydrophobicContact CB-CB 4.36Å; K314-F318 HydrophobicContact CB-CD1 4.12Å; K314-F318 HydrophobicContact CB-CG 4.21Å; K314-F318 HydrophobicContact CD-CD1 3.95Å; K314-F318 HydrophobicContact CD-CE1 3.74Å; K314-F318 HydrophobicContact CD-CZ 4.1Å; K314-F318 HydrophobicContact CG-CD1 4.24Å; K314-F318 HydrophobicContact CG-CE1 4.43Å; K314-F318 HydrophobicContact CG-CG 4.36Å; K314-Y319 HydrophobicContact CB-CE2 3.9Å
315	Q	79.3	Confident	76.8	Confident	58 Å²	58	59.7 Å²	59.7	27%	0.271	30%	0.295	S	S	.	.			trans	-77.9	162.8	179	-63	-60.2	-36.1	0	0	111.3	E301 P302 I304 M317 F318 Y319	E301-Q315 VanDerWaalsContact O-CG 3.28Å; E301-Q315 WeakPolarHBondContact O-CG 3.24Å; P302-Q315 WeakPolarHBondContact O-CB 3.41Å; P302-Q315 PolarHBondContact O-N 3.1Å; I304-Q315 HydrophobicContact CD1-CG 4.14Å; I304-Q315 VanDerWaalsContact CD1-NE2 3.3Å; I304-Q315 HydrophobicContact CG1-CG 4.1Å; Q315-M317 PolarHBondContact O-N 3.19Å; Q315-M317 VanDerWaalsContact O-N 3.1Å; Q315-F318 VanDerWaalsContact O-CB 3.3Å; Q315-F318 WeakPolarHBondContact O-CB 3.32Å; Q315-F318 PolarHBondContact O-N 3.47Å; Q315-Y319 WeakPolarHBondContact O-CD2 2.95Å
316	P	83.3	Confident	77.6	Confident	76 Å²	76	60.4 Å²	60.4	49%	0.494	29%	0.293	S	S	.	.	H	α-helix	trans	-48.2	-39.3	172.7	-30.2	36.9	0	0	0	113.3	F318 Y319 H320	P316-F318 VanDerWaalsContact C-N 3.25Å; P316-F318 PolarHBondContact O-N 3.02Å; P316-Y319 PolarHBondContact O-N 2.88Å; P316-H320 PolarHBondContact O-CD2 3.03Å; P316-H320 VanDerWaalsContact O-CD2 3.28Å; P316-H320 PolarHBondContact O-N 2.9Å
317	M	73.4	Confident	78.4	Confident	36 Å²	36	62 Å²	62	18%	0.177	30%	0.299	C	S	.	.	H	α-helix	trans	-53.2	-38.2	176	-69.7	170.5	39.7	0	0	113.7	L276 L300 P302 Q315 Y319 H320 L321	L276-M317 HydrophobicContact CD1-CG 4.17Å; L276-M317 HydrophobicContact CD1-SD 3.89Å; L276-M317 HydrophobicContact CD2-CG 3.78Å; L276-M317 HydrophobicContact CD2-SD 4.47Å; L276-M317 HydrophobicContact CG-CG 4.32Å; L300-M317 HydrophobicContact CB-SD 4.22Å; P302-M317 HydrophobicContact CB-CB 4.26Å; P302-M317 HydrophobicContact CG-CB 4.15Å; P302-M317 HydrophobicContact CG-CE 3.74Å; Q315-M317 PolarHBondContact O-N 3.19Å; Q315-M317 VanDerWaalsContact O-N 3.1Å; M317-Y319 VanDerWaalsContact C-N 3.33Å; M317-Y319 PolarHBondContact O-N 3.41Å; M317-H320 PolarHBondContact O-N 2.84Å; M317-L321 WeakPolarHBondContact O-CB 2.96Å; M317-L321 VanDerWaalsContact O-CG 3.32Å; M317-L321 WeakPolarHBondContact O-CG 3.46Å; M317-L321 PolarHBondContact O-N 3.05Å
318	F	75.8	Confident	79.4	Confident	7 Å²	7	59.5 Å²	59.5	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-44.2	177	174	-86	0	0	0	111.1	A63 N64 I70 P302 I303 K314 Q315 P316 G322	A63-F318 HydrophobicContact CB-CE2 4.24Å; A63-F318 HydrophobicContact CB-CZ 4.04Å; A63-F318 WeakPolarHBondContact O-CZ 3.46Å; N64-F318 VanDerWaalsContact OD1-CE2 3.31Å; N64-F318 WeakPolarHBondContact OD1-CE2 3.28Å; I70-F318 HydrophobicContact CB-CZ 4.42Å; I70-F318 HydrophobicContact CD1-CD2 3.79Å; I70-F318 HydrophobicContact CD1-CE1 4.43Å; I70-F318 HydrophobicContact CD1-CE2 3.51Å; I70-F318 HydrophobicContact CD1-CG 4.37Å; I70-F318 HydrophobicContact CD1-CZ 3.85Å; I70-F318 HydrophobicContact CG1-CE2 3.99Å; I70-F318 HydrophobicContact CG1-CZ 3.98Å; I70-F318 HydrophobicContact CG2-CD1 4.43Å; I70-F318 HydrophobicContact CG2-CE1 3.66Å; I70-F318 HydrophobicContact CG2-CE2 4.4Å; I70-F318 HydrophobicContact CG2-CZ 3.65Å; P302-F318 HydrophobicContact CB-CB 3.98Å; P302-F318 WeakPolarHBondContact O-CB 3.29Å; I303-F318 HydrophobicContact CD1-CD2 3.67Å; I303-F318 HydrophobicContact CD1-CE2 3.81Å; I303-F318 HydrophobicContact CG1-CD2 3.8Å; I303-F318 HydrophobicContact CG1-CE2 4.35Å; K314-F318 HydrophobicContact CB-CB 4.36Å; K314-F318 HydrophobicContact CB-CD1 4.12Å; K314-F318 HydrophobicContact CB-CG 4.21Å; K314-F318 HydrophobicContact CD-CD1 3.95Å; K314-F318 HydrophobicContact CD-CE1 3.74Å; K314-F318 HydrophobicContact CD-CZ 4.1Å; K314-F318 HydrophobicContact CG-CD1 4.24Å; K314-F318 HydrophobicContact CG-CE1 4.43Å; K314-F318 HydrophobicContact CG-CG 4.36Å; Q315-F318 VanDerWaalsContact O-CB 3.3Å; Q315-F318 WeakPolarHBondContact O-CB 3.32Å; Q315-F318 PolarHBondContact O-N 3.47Å; P316-F318 VanDerWaalsContact C-N 3.25Å; P316-F318 PolarHBondContact O-N 3.02Å; F318-G322 PolarHBondContact O-N 2.99Å
319	Y	83.2	Confident	80.2	Confident	125 Å²	125	55.6 Å²	55.6	49%	0.49	26%	0.263	S	S	.	.	H	α-helix	trans	-71.4	-42.6	179.7	-58.5	-78.8	0	0	0	111.4	K314 Q315 P316 M317 L321 G322 H323	K314-Y319 HydrophobicContact CB-CE2 3.9Å; Q315-Y319 WeakPolarHBondContact O-CD2 2.95Å; P316-Y319 PolarHBondContact O-N 2.88Å; M317-Y319 VanDerWaalsContact C-N 3.33Å; M317-Y319 PolarHBondContact O-N 3.41Å; Y319-L321 VanDerWaalsContact C-N 3.32Å; Y319-L321 PolarHBondContact O-N 2.93Å; Y319-G322 CarbonylContact O-C 3.58Å; Y319-G322 WeakPolarHBondContact O-CA 3.42Å; Y319-G322 PolarHBondContact O-N 2.95Å; Y319-H323 PolarHBondContact O-CD2 3.04Å; Y319-H323 VanDerWaalsContact O-CD2 3.25Å; Y319-H323 PolarHBondContact O-N 2.8Å
320	H	83.2	Confident	80.6	Confident	45 Å²	45	53.4 Å²	53.4	21%	0.208	26%	0.255	C	S	.	.	H	α-helix	trans	-56.7	-44.3	174	-83.5	-95.1	0	0	0	111.9	P316 M317 G322 H323 F324	P316-H320 PolarHBondContact O-CD2 3.03Å; P316-H320 VanDerWaalsContact O-CD2 3.28Å; P316-H320 PolarHBondContact O-N 2.9Å; M317-H320 PolarHBondContact O-N 2.84Å; H320-G322 VanDerWaalsContact C-N 3.32Å; H320-H323 PolarHBondContact O-N 2.83Å; H320-F324 VanDerWaalsContact O-CD2 3.27Å; H320-F324 WeakPolarHBondContact O-CD2 3.02Å
321	L	77.4	Confident	81.3	Confident	40 Å²	40	52.5 Å²	52.5	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-65.7	-36.2	174.3	-70.8	168.5	0	0	0	111.8	I20 Y72 P302 M317 Y319 H323 F324 S325	I20-L321 HydrophobicContact CG2-CD2 3.58Å; Y72-L321 HydrophobicContact CE1-CB 4.46Å; Y72-L321 VanDerWaalsContact OH-CD1 3.29Å; Y72-L321 WeakPolarHBondContact OH-CD1 3.31Å; P302-L321 HydrophobicContact CG-CD1 3.91Å; M317-L321 WeakPolarHBondContact O-CB 2.96Å; M317-L321 VanDerWaalsContact O-CG 3.32Å; M317-L321 WeakPolarHBondContact O-CG 3.46Å; M317-L321 PolarHBondContact O-N 3.05Å; Y319-L321 VanDerWaalsContact C-N 3.32Å; Y319-L321 PolarHBondContact O-N 2.93Å; L321-H323 VanDerWaalsContact C-N 3.34Å; L321-H323 PolarHBondContact O-N 2.93Å; L321-F324 PolarHBondContact O-N 3.38Å; L321-S325 WeakPolarHBondContact O-CB 3.36Å; L321-S325 PolarHBondContact O-N 3.41Å; L321-S325 PolarHBondContact O-OG 3Å
322	G	80.6	Confident	82	Confident	5 Å²	5	51.2 Å²	51.2	5%	0.052	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-36.8	175.4	0	0	0	0	0	114.4	F318 Y319 H320 F324 K326	F318-G322 PolarHBondContact O-N 2.99Å; Y319-G322 CarbonylContact O-C 3.58Å; Y319-G322 WeakPolarHBondContact O-CA 3.42Å; Y319-G322 PolarHBondContact O-N 2.95Å; H320-G322 VanDerWaalsContact C-N 3.32Å; G322-F324 PolarHBondContact O-N 3.42Å; G322-K326 WeakPolarHBondContact O-CB 3.45Å; G322-K326 PolarHBondContact O-N 2.95Å; G322-K326 VanDerWaalsContact O-N 3.11Å
323	H	88.6	Confident	82.6	Confident	44 Å²	44	54 Å²	54	20%	0.204	27%	0.274	C	S	.	.	H	α-helix	trans	-59.6	-18.9	176.8	-88.5	-84.2	0	0	0	114.2	Y319 H320 L321 F327 V360 I390 T392	Y319-H323 PolarHBondContact O-CD2 3.04Å; Y319-H323 VanDerWaalsContact O-CD2 3.25Å; Y319-H323 PolarHBondContact O-N 2.8Å; H320-H323 PolarHBondContact O-N 2.83Å; L321-H323 VanDerWaalsContact C-N 3.34Å; L321-H323 PolarHBondContact O-N 2.93Å; H323-F327 WeakPolarHBondContact O-CD2 3.29Å; H323-V360 HydrophobicContact CB-CG1 4.47Å; H323-I390 HydrophobicContact CB-CD1 3.6Å; H323-I390 HydrophobicContact CB-CG1 4Å; H323-I390 PolarHBondContact CE1-O 3.45Å; H323-I390 PolarHBondContact NE2-O 3.14Å; H323-T392 WeakPolarHBondContact CB-OG1 3.15Å; H323-T392 PolarHBondContact ND1-OG1 3.03Å; H323-T392 PolarHBondContact O-OG1 3.42Å
324	F	84.5	Confident	83.3	Confident	44 Å²	44	58.1 Å²	58.1	19%	0.193	29%	0.289	C	S	.	.	H	α-helix	trans	-109.4	-57.2	174.8	-59.2	-93.1	0	0	0	111.8	I20 H320 L321 G322 K326 F327 I328 V348 V360 I390	I20-F324 HydrophobicContact CD1-CB 3Å; I20-F324 HydrophobicContact CD1-CD1 4.04Å; I20-F324 HydrophobicContact CD1-CD2 4.19Å; I20-F324 HydrophobicContact CD1-CG 3.53Å; I20-F324 HydrophobicContact CG1-CB 4.5Å; H320-F324 VanDerWaalsContact O-CD2 3.27Å; H320-F324 WeakPolarHBondContact O-CD2 3.02Å; L321-F324 PolarHBondContact O-N 3.38Å; G322-F324 PolarHBondContact O-N 3.42Å; F324-K326 VanDerWaalsContact C-N 3.27Å; F324-K326 PolarHBondContact O-N 3.06Å; F324-F327 PolarHBondContact O-N 3.25Å; F324-F327 VanDerWaalsContact O-N 3.09Å; F324-I328 HydrophobicContact CB-CD1 3.99Å; F324-I328 HydrophobicContact CD1-CD1 3.78Å; F324-I328 HydrophobicContact CG-CD1 4.36Å; F324-I328 VanDerWaalsContact O-CB 3.27Å; F324-I328 WeakPolarHBondContact O-CB 3.43Å; F324-I328 WeakPolarHBondContact O-CG1 3.42Å; F324-I328 PolarHBondContact O-N 2.96Å; F324-V348 HydrophobicContact CE1-CG1 3.99Å; F324-V360 HydrophobicContact CD1-CB 4.37Å; F324-V360 HydrophobicContact CD1-CG1 4.36Å; F324-V360 HydrophobicContact CD1-CG2 3.95Å; F324-V360 HydrophobicContact CE1-CB 3.88Å; F324-V360 HydrophobicContact CE1-CG1 3.76Å; F324-V360 HydrophobicContact CE1-CG2 3.99Å; F324-V360 HydrophobicContact CE2-CG1 4.17Å; F324-V360 HydrophobicContact CZ-CB 4.28Å; F324-V360 HydrophobicContact CZ-CG1 3.65Å; F324-I390 HydrophobicContact CE2-CD1 4.03Å
325	S	80.9	Confident	83.8	Confident	10 Å²	10	55 Å²	55	7%	0.07	28%	0.276	C	S	.	.	H	α-helix	trans	-57.9	-37.6	-174.3	52.2	0	0	0	0	113.3	I70 Y72 R126 L321	I70-S325 CarbonylContact O-C 3.57Å; I70-S325 WeakPolarHBondContact O-CB 3.34Å; I70-S325 PolarHBondContact O-OG 3.01Å; I70-S325 VanDerWaalsContact O-OG 3.05Å; Y72-S325 WeakPolarHBondContact CE1-OG 3.09Å; R126-S325 PolarHBondContact NH1-O 2.56Å; L321-S325 WeakPolarHBondContact O-CB 3.36Å; L321-S325 PolarHBondContact O-N 3.41Å; L321-S325 PolarHBondContact O-OG 3Å
326	K	85.3	Confident	84.2	Confident	66 Å²	66	53.9 Å²	53.9	29%	0.287	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-38.5	179.4	-167.9	179.4	178.3	69.1	0	111.8	G67 G69 I70 R126 G322 F324	G67-K326 PolarHBondContact O-NZ 2.82Å; G69-K326 PolarHBondContact O-NZ 3.38Å; I70-K326 WeakPolarHBondContact O-CA 3.45Å; I70-K326 PolarHBondContact O-N 2.83Å; R126-K326 PolarHBondContact NH2-O 3.46Å; G322-K326 WeakPolarHBondContact O-CB 3.45Å; G322-K326 PolarHBondContact O-N 2.95Å; G322-K326 VanDerWaalsContact O-N 3.11Å; F324-K326 VanDerWaalsContact C-N 3.27Å; F324-K326 PolarHBondContact O-N 3.06Å
327	F	88.9	Confident	84.5	Confident	61 Å²	61	52.1 Å²	52.1	27%	0.268	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-1.6	-166	-58.4	-67.3	0	0	0	114.4	H323 F324 H352 V358 T392 L394	H323-F327 WeakPolarHBondContact O-CD2 3.29Å; F324-F327 PolarHBondContact O-N 3.25Å; F324-F327 VanDerWaalsContact O-N 3.09Å; F327-H352 PolarHBondContact O-CE1 2.62Å; F327-H352 VanDerWaalsContact O-CE1 3.23Å; F327-H352 PolarHBondContact O-NE2 3.01Å; F327-V358 HydrophobicContact CB-CG2 4.21Å; F327-T392 HydrophobicContact CB-CG2 3.65Å; F327-T392 HydrophobicContact CD2-CG2 3.64Å; F327-T392 HydrophobicContact CE2-CG2 4.4Å; F327-T392 HydrophobicContact CG-CG2 3.72Å; F327-L394 HydrophobicContact CB-CD1 4.47Å; F327-L394 HydrophobicContact CB-CD2 4.38Å; F327-L394 HydrophobicContact CD1-CD1 3.54Å; F327-L394 HydrophobicContact CD1-CD2 4.34Å; F327-L394 HydrophobicContact CE1-CD1 3.94Å; F327-L394 HydrophobicContact CG-CD1 4.13Å
328	I	88.4	Confident	85.3	Confident	34 Å²	34	54.9 Å²	54.9	17%	0.174	29%	0.285	C	S	.	.			trans	-122.7	87.9	178.5	-56.8	174	0	0	0	107.6	F324 L350 V358 V360	F324-I328 HydrophobicContact CB-CD1 3.99Å; F324-I328 HydrophobicContact CD1-CD1 3.78Å; F324-I328 HydrophobicContact CG-CD1 4.36Å; F324-I328 VanDerWaalsContact O-CB 3.27Å; F324-I328 WeakPolarHBondContact O-CB 3.43Å; F324-I328 WeakPolarHBondContact O-CG1 3.42Å; F324-I328 PolarHBondContact O-N 2.96Å; I328-L350 HydrophobicContact CD1-CD1 3.7Å; I328-L350 HydrophobicContact CD1-CD2 4.19Å; I328-L350 HydrophobicContact CG1-CD1 4.36Å; I328-L350 HydrophobicContact CG2-CD2 3.75Å; I328-V358 HydrophobicContact CG1-CG1 4.15Å; I328-V360 HydrophobicContact CD1-CG2 4.43Å
329	P	87.9	Confident	86	Confident	33 Å²	33	56.7 Å²	56.7	21%	0.214	30%	0.302	C	S	.	.			trans	-68.9	162.3	177.1	29.7	-34.9	0	0	0	111.6	S332	P329-S332 WeakPolarHBondContact CD-OG 3.42Å; P329-S332 WeakPolarHBondContact O-CB 3.25Å; P329-S332 PolarHBondContact O-N 3.48Å; P329-S332 PolarHBondContact O-OG 3Å
330	E	81.9	Confident	86.2	Confident	78 Å²	78	56 Å²	56	36%	0.364	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	141.9	173.2	-166.1	-173.9	147.7	0	0	111.3	R17 S332 P353	R17-E330 IonicContact CZ-OE1 2.83Å; R17-E330 IonicContact NE-OE1 2.68Å; R17-E330 PolarHBondContact NE-OE1 3.36Å; R17-E330 IonicContact NH1-OE1 3.55Å; R17-E330 IonicContact NH2-OE1 2.77Å; R17-E330 PolarHBondContact NH2-OE1 3.38Å; R17-E330 IonicContact NH2-OE2 3.89Å; E330-S332 VanDerWaalsContact C-N 3.29Å; E330-P353 WeakPolarHBondContact O-CG 3.45Å
331	G	84.4	Confident	86.3	Confident	62 Å²	62	60.6 Å²	60.6	64%	0.639	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	-7.1	-177	0	0	0	0	0	114.1	Q333	G331-Q333 PolarHBondContact O-N 2.93Å
332	S	88.2	Confident	86.7	Confident	26 Å²	26	68.6 Å²	68.6	18%	0.182	37%	0.37	C	S	.	.			trans	-60.8	136.6	173	-59.1	0	0	0	0	111.3	P329 E330 M351	P329-S332 WeakPolarHBondContact CD-OG 3.42Å; P329-S332 WeakPolarHBondContact O-CB 3.25Å; P329-S332 PolarHBondContact O-N 3.48Å; P329-S332 PolarHBondContact O-OG 3Å; E330-S332 VanDerWaalsContact C-N 3.29Å; S332-M351 CarbonylContact C-O 3.56Å; S332-M351 WeakPolarHBondContact CA-O 3.35Å
333	Q	87.4	Confident	86.9	Confident	103 Å²	103	71 Å²	71	48%	0.481	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.8	-178.9	-169.1	178.9	5.5	0	0	110.4	G331 V335 L350 M351	G331-Q333 PolarHBondContact O-N 2.93Å; Q333-V335 PolarHBondContact O-N 3.1Å; Q333-L350 CarbonylContact O-C 3.54Å; Q333-L350 VanDerWaalsContact O-CA 3.24Å; Q333-L350 WeakPolarHBondContact O-CA 3.26Å; Q333-M351 PolarHBondContact N-O 3.2Å; Q333-M351 PolarHBondContact O-N 3.34Å
334	R	87.5	Confident	86.6	Confident	188 Å²	188	74.1 Å²	74.1	71%	0.709	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	135	171.1	-177.7	-178.2	169.8	-176.1	-1.3	110	V348 L350	R334-V348 HydrophobicContact CG-CG2 4.3Å; R334-L350 HydrophobicContact CB-CG 4.47Å
335	V	89.1	Confident	86.8	Confident	14 Å²	14	72.5 Å²	72.5	9%	0.085	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	165.8	176.2	-62.2	0	0	0	0	110.8	F3 Q333 A349 M351	F3-V335 HydrophobicContact CD2-CG2 4.03Å; F3-V335 HydrophobicContact CE1-CG2 4.29Å; F3-V335 HydrophobicContact CE2-CG2 3.35Å; F3-V335 HydrophobicContact CZ-CG2 3.5Å; Q333-V335 PolarHBondContact O-N 3.1Å; V335-A349 HydrophobicContact CG2-CB 3.88Å; V335-A349 PolarHBondContact N-O 3.01Å; V335-M351 HydrophobicContact CG1-CB 4.14Å
336	G	87.5	Confident	87.3	Confident	34 Å²	34	75.3 Å²	75.3	35%	0.351	41%	0.408	S	S	.	.			trans	-69.8	133.6	179.3	0	0	0	0	0	111.5	S4	S4-G336 PolarHBondContact N-O 3.23Å; S4-G336 WeakPolarHBondContact OG-CA 3.5Å; S4-G336 PolarHBondContact OG-N 3.38Å; S4-G336 VanDerWaalsContact OG-N 3.11Å; S4-G336 PolarHBondContact OG-O 3.45Å
337	L	89.9	Confident	87.6	Confident	39 Å²	39	74.1 Å²	74.1	20%	0.204	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	113	172.3	-177.1	66.7	0	0	0	107.9	M1 E2 A347 A349 V359	M1-L337 HydrophobicContact CB-CD1 3.66Å; M1-L337 HydrophobicContact CB-CG 4.04Å; M1-L337 HydrophobicContact SD-CD2 3.81Å; M1-L337 HydrophobicContact SD-CG 4.2Å; E2-L337 WeakPolarHBondContact O-CA 3.45Å; L337-A347 HydrophobicContact CD2-CB 3.67Å; L337-A349 HydrophobicContact CB-CB 3.82Å; L337-A349 HydrophobicContact CD1-CB 4.32Å; L337-A349 HydrophobicContact CD2-CB 4.15Å; L337-A349 HydrophobicContact CG-CB 4.32Å; L337-V359 HydrophobicContact CD2-CG1 4.18Å
338	V	90.1	Very high	87.7	Confident	94 Å²	94	72.9 Å²	72.9	57%	0.57	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.4	-174.9	-176.6	0	0	0	0	109.9	M1 E2	M1-V338 CarbonylContact C-O 3.45Å; M1-V338 WeakPolarHBondContact CA-O 3.35Å; E2-V338 PolarHBondContact N-O 3.43Å; E2-V338 PolarHBondContact O-N 3.16Å
339	A	90.4	Very high	87.8	Confident	46 Å²	46	71.3 Å²	71.3	38%	0.38	40%	0.399	S	S	.	.			trans	-78.9	134.4	170.5	0	0	0	0	0	110.4	Q341 N343	A339-Q341 WeakPolarHBondContact CB-O 3.4Å; A339-Q341 PolarHBondContact O-N 3.18Å; A339-N343 WeakPolarHBondContact CB-ND2 3.45Å
340	S	88.1	Confident	88.1	Confident	110 Å²	110	70.6 Å²	70.6	77%	0.769	39%	0.394	S	S	*	.	S	Bend	trans	-68.6	-24.7	176.4	50	0	0	0	0	112.9
341	Q	85.2	Confident	88.6	Confident	142 Å²	142	67.9 Å²	67.9	66%	0.664	38%	0.381	S	S	*	.	S	Bend	trans	-150.3	161.4	-179.8	62.6	-171.5	59.1	0	0	109.9	A339 N343	A339-Q341 WeakPolarHBondContact CB-O 3.4Å; A339-Q341 PolarHBondContact O-N 3.18Å; Q341-N343 PolarHBondContact O-N 2.94Å; Q341-N343 PolarHBondContact O-ND2 2.83Å
342	K	85.3	Confident	89	Confident	207 Å²	207	66 Å²	66	90%	0.9	36%	0.356	S	S	*	.			trans	-57	131.1	169.9	-171.6	177.3	-179.9	-178.4	0	109.4
343	N	85.6	Confident	89.2	Confident	57 Å²	57	69.2 Å²	69.2	31%	0.305	38%	0.376	S	S	.	.			trans	-146.8	166.1	-179.9	60.9	77.5	0	0	0	109.9	A339 Q341 P345	A339-N343 WeakPolarHBondContact CB-ND2 3.45Å; Q341-N343 PolarHBondContact O-N 2.94Å; Q341-N343 PolarHBondContact O-ND2 2.83Å; N343-P345 WeakPolarHBondContact OD1-CD 3.34Å; N343-P345 PolarHBondContact OD1-O 2.92Å
344	D	83.1	Confident	89.5	Confident	108 Å²	108	70.3 Å²	70.3	58%	0.578	39%	0.385	S	S	*	.	S	Bend	trans	-86.1	-33.1	-177	-63.8	-22.4	0	0	0	114.5
345	P	88.3	Confident	89.8	Confident	10 Å²	10	63 Å²	63	7%	0.065	37%	0.368	C	S	.	.			trans	-65.5	138	-179.6	-24.2	35	0	0	0	114.1	N343 V361 L362 N363 V369	N343-P345 WeakPolarHBondContact OD1-CD 3.34Å; N343-P345 PolarHBondContact OD1-O 2.92Å; P345-V361 HydrophobicContact CB-CG1 3.89Å; P345-L362 CarbonylContact C-O 3.56Å; P345-L362 WeakPolarHBondContact CA-O 3.49Å; P345-N363 HydrophobicContact CG-CB 4.41Å; P345-V369 HydrophobicContact CG-CB 4.14Å; P345-V369 HydrophobicContact CG-CG1 4.08Å; P345-V369 HydrophobicContact CG-CG2 4.12Å
346	D	89.9	Confident	90	Very high	70 Å²	70	63.3 Å²	63.3	37%	0.374	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	131.6	167.9	-58	-72.5	0	0	0	109.1	V361 L362 R364	D346-V361 CarbonylContact O-C 3.48Å; D346-V361 WeakPolarHBondContact O-CA 3.29Å; D346-L362 HydrophobicContact CB-CB 4.41Å; D346-L362 PolarHBondContact N-O 2.76Å; D346-L362 PolarHBondContact O-N 3.35Å; D346-R364 IonicContact OD1-NH2 3.4Å; D346-R364 PolarHBondContact OD1-NH2 2.81Å; D346-R364 IonicContact OD2-CZ 3.08Å; D346-R364 IonicContact OD2-NE 2.83Å; D346-R364 PolarHBondContact OD2-NE 2.76Å; D346-R364 IonicContact OD2-NH2 2.68Å; D346-R364 PolarHBondContact OD2-NH2 3.3Å
347	A	91.9	Very high	90.4	Very high	40 Å²	40	61.7 Å²	61.7	33%	0.331	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	147.1	-179.7	0	0	0	0	0	113	M1 L337 V360 V361	M1-A347 HydrophobicContact CE-CB 3.84Å; M1-A347 HydrophobicContact SD-CB 3.62Å; L337-A347 HydrophobicContact CD2-CB 3.67Å; A347-V360 VanDerWaalsContact CA-O 3.26Å; A347-V360 WeakPolarHBondContact CA-O 3.34Å; A347-V361 HydrophobicContact CB-CG2 4.2Å
348	V	91	Very high	90.7	Very high	35 Å²	35	59.8 Å²	59.8	21%	0.212	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	139.6	174	65	0	0	0	0	110.4	F324 R334 L350 V359 V360	F324-V348 HydrophobicContact CE1-CG1 3.99Å; R334-V348 HydrophobicContact CG-CG2 4.3Å; V348-L350 HydrophobicContact CG1-CD1 4.15Å; V348-L350 HydrophobicContact CG2-CD1 4Å; V348-V359 WeakPolarHBondContact O-CA 3.19Å; V348-V360 HydrophobicContact CG1-CB 4.09Å; V348-V360 PolarHBondContact N-O 2.87Å; V348-V360 PolarHBondContact O-N 3.4Å
349	A	90.4	Very high	91	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.008	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.1	176.4	0	0	0	0	0	111	F3 V335 L337 V358 V359	F3-A349 HydrophobicContact CD2-CB 3.79Å; F3-A349 HydrophobicContact CE2-CB 3.83Å; V335-A349 HydrophobicContact CG2-CB 3.88Å; V335-A349 PolarHBondContact N-O 3.01Å; L337-A349 HydrophobicContact CB-CB 3.82Å; L337-A349 HydrophobicContact CD1-CB 4.32Å; L337-A349 HydrophobicContact CD2-CB 4.15Å; L337-A349 HydrophobicContact CG-CB 4.32Å; A349-V358 WeakPolarHBondContact CA-O 3.27Å; A349-V359 HydrophobicContact CB-CG2 3.88Å
350	L	94.3	Very high	91.2	Very high	18 Å²	18	53.3 Å²	53.3	9%	0.094	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	158.6	175.3	-51.6	88.8	0	0	0	110.1	I328 Q333 R334 V348 P357 V358	I328-L350 HydrophobicContact CD1-CD1 3.7Å; I328-L350 HydrophobicContact CD1-CD2 4.19Å; I328-L350 HydrophobicContact CG1-CD1 4.36Å; I328-L350 HydrophobicContact CG2-CD2 3.75Å; Q333-L350 CarbonylContact O-C 3.54Å; Q333-L350 VanDerWaalsContact O-CA 3.24Å; Q333-L350 WeakPolarHBondContact O-CA 3.26Å; R334-L350 HydrophobicContact CB-CG 4.47Å; V348-L350 HydrophobicContact CG1-CD1 4.15Å; V348-L350 HydrophobicContact CG2-CD1 4Å; L350-P357 WeakPolarHBondContact O-CA 3.28Å; L350-V358 HydrophobicContact CB-CG1 3.77Å; L350-V358 HydrophobicContact CD1-CG1 4.27Å; L350-V358 PolarHBondContact N-O 2.68Å; L350-V358 PolarHBondContact O-N 2.87Å
351	M	92.3	Very high	91.5	Very high	21 Å²	21	48 Å²	48	10%	0.103	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.3	171.6	-164.8	67.2	80.3	0	0	109.1	F3 S332 Q333 V335 S356 P357	F3-M351 HydrophobicContact CE1-CE 3.52Å; F3-M351 HydrophobicContact CZ-CE 3.44Å; F3-M351 VanDerWaalsContact CZ-CE 3.44Å; F3-M351 HydrophobicContact CZ-SD 4.32Å; S332-M351 CarbonylContact C-O 3.56Å; S332-M351 WeakPolarHBondContact CA-O 3.35Å; Q333-M351 PolarHBondContact N-O 3.2Å; Q333-M351 PolarHBondContact O-N 3.34Å; V335-M351 HydrophobicContact CG1-CB 4.14Å; M351-S356 VanDerWaalsContact SD-C 3.57Å; M351-P357 HydrophobicContact SD-CB 4.17Å
352	H	94.3	Very high	91.9	Very high	24 Å²	24	42.1 Å²	42.1	11%	0.111	24%	0.236	C	C	.	.			trans	-69.8	160.7	172.3	-71	-170.2	0	0	0	111	F327 D354 G355 S356 V358	F327-H352 PolarHBondContact O-CE1 2.62Å; F327-H352 VanDerWaalsContact O-CE1 3.23Å; F327-H352 PolarHBondContact O-NE2 3.01Å; H352-D354 WeakPolarHBondContact CB-OD1 3.34Å; H352-D354 PolarHBondContact O-N 3.17Å; H352-G355 PolarHBondContact O-N 2.73Å; H352-S356 VanDerWaalsContact CB-O 3.28Å; H352-S356 WeakPolarHBondContact CB-O 3.42Å; H352-S356 PolarHBondContact N-O 2.81Å; H352-S356 PolarHBondContact ND1-OG 2.88Å; H352-V358 WeakPolarHBondContact NE2-CG1 3.42Å
353	P	92.6	Very high	92.4	Very high	92 Å²	92	32.3 Å²	32.3	60%	0.597	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.8	175.5	-26.4	35.5	0	0	0	114.7	E330 G355	E330-P353 WeakPolarHBondContact O-CG 3.45Å; P353-G355 VanDerWaalsContact C-N 3.26Å; P353-G355 PolarHBondContact O-N 2.78Å
354	D	93.1	Very high	92.6	Very high	126 Å²	126	34.6 Å²	34.6	67%	0.674	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	0.6	176.9	69.3	-2.9	0	0	0	113.6	H352 S356	H352-D354 WeakPolarHBondContact CB-OD1 3.34Å; H352-D354 PolarHBondContact O-N 3.17Å; D354-S356 VanDerWaalsContact OD1-CB 3.28Å; D354-S356 WeakPolarHBondContact OD1-CB 3.3Å; D354-S356 PolarHBondContact OD1-N 2.89Å; D354-S356 PolarHBondContact OD1-OG 2.73Å; D354-S356 PolarHBondContact OD2-OG 2.8Å
355	G	92.8	Very high	93.1	Very high	34 Å²	34	30.7 Å²	30.7	35%	0.351	18%	0.179	S	C	.	.	S	Bend	trans	83.9	6.2	-178.4	0	0	0	0	0	114.7	H352 P353	H352-G355 PolarHBondContact O-N 2.73Å; P353-G355 VanDerWaalsContact C-N 3.26Å; P353-G355 PolarHBondContact O-N 2.78Å
356	S	94.8	Very high	93.4	Very high	21 Å²	21	34 Å²	34	15%	0.147	20%	0.202	C	C	.	.			trans	-82.3	135.2	172.6	67.2	0	0	0	0	112.1	M351 H352 D354	M351-S356 VanDerWaalsContact SD-C 3.57Å; H352-S356 VanDerWaalsContact CB-O 3.28Å; H352-S356 WeakPolarHBondContact CB-O 3.42Å; H352-S356 PolarHBondContact N-O 2.81Å; H352-S356 PolarHBondContact ND1-OG 2.88Å; D354-S356 VanDerWaalsContact OD1-CB 3.28Å; D354-S356 WeakPolarHBondContact OD1-CB 3.3Å; D354-S356 PolarHBondContact OD1-N 2.89Å; D354-S356 PolarHBondContact OD1-OG 2.73Å; D354-S356 PolarHBondContact OD2-OG 2.8Å
357	P	95.3	Very high	93.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	150	179.6	28.3	-36	0	0	0	113.1	F3 L350 M351 W395 R397	F3-P357 HydrophobicContact CE1-CB 4.44Å; F3-P357 HydrophobicContact CE2-CB 3.83Å; F3-P357 HydrophobicContact CZ-CB 3.65Å; L350-P357 WeakPolarHBondContact O-CA 3.28Å; M351-P357 HydrophobicContact SD-CB 4.17Å; P357-W395 HydrophobicContact CB-CD2 4.42Å; P357-W395 HydrophobicContact CB-CH2 4.04Å; P357-W395 HydrophobicContact CB-CZ2 3.65Å; P357-W395 VanDerWaalsContact CD-O 3.24Å; P357-W395 WeakPolarHBondContact CD-O 3.33Å; P357-W395 HydrophobicContact CG-CD2 3.61Å; P357-W395 HydrophobicContact CG-CE3 4.32Å; P357-W395 HydrophobicContact CG-CG 3.92Å; P357-W395 HydrophobicContact CG-CH2 4.2Å; P357-W395 HydrophobicContact CG-CZ2 3.47Å; P357-W395 VanDerWaalsContact CG-CZ2 3.47Å; P357-R397 HydrophobicContact CG-CG 3.88Å
358	V	95.9	Very high	93.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134.9	169.8	60.2	0	0	0	0	110.1	F327 I328 A349 L350 H352 T392 Y393 L394	F327-V358 HydrophobicContact CB-CG2 4.21Å; I328-V358 HydrophobicContact CG1-CG1 4.15Å; A349-V358 WeakPolarHBondContact CA-O 3.27Å; L350-V358 HydrophobicContact CB-CG1 3.77Å; L350-V358 HydrophobicContact CD1-CG1 4.27Å; L350-V358 PolarHBondContact N-O 2.68Å; L350-V358 PolarHBondContact O-N 2.87Å; H352-V358 WeakPolarHBondContact NE2-CG1 3.42Å; V358-T392 HydrophobicContact CG2-CG2 3.57Å; V358-Y393 WeakPolarHBondContact CA-O 3.33Å; V358-L394 HydrophobicContact CB-CD2 4.19Å; V358-L394 HydrophobicContact CB-CG 4.46Å; V358-L394 HydrophobicContact CG2-CD2 4.11Å; V358-L394 HydrophobicContact CG2-CG 4.15Å
359	V	95.9	Very high	94	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.7	174.3	177.8	0	0	0	0	109.6	L337 V348 A349 V361 I373 T392 Y393 W395	L337-V359 HydrophobicContact CD2-CG1 4.18Å; V348-V359 WeakPolarHBondContact O-CA 3.19Å; A349-V359 HydrophobicContact CB-CG2 3.88Å; V359-V361 HydrophobicContact CG1-CG2 3.93Å; V359-I373 HydrophobicContact CB-CD1 4.35Å; V359-I373 HydrophobicContact CG1-CD1 4.12Å; V359-T392 CarbonylContact O-C 3.58Å; V359-T392 WeakPolarHBondContact O-CA 3.27Å; V359-Y393 PolarHBondContact N-O 2.83Å; V359-Y393 PolarHBondContact O-N 2.83Å; V359-W395 HydrophobicContact CB-CH2 4.43Å; V359-W395 HydrophobicContact CB-CZ3 4.3Å; V359-W395 HydrophobicContact CG2-CH2 3.54Å; V359-W395 HydrophobicContact CG2-CZ3 3.87Å
360	V	94.8	Very high	94.3	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	129.5	172.3	-172.9	0	0	0	0	108.6	H323 F324 I328 A347 V348 I390 H391 T392	H323-V360 HydrophobicContact CB-CG1 4.47Å; F324-V360 HydrophobicContact CD1-CB 4.37Å; F324-V360 HydrophobicContact CD1-CG1 4.36Å; F324-V360 HydrophobicContact CD1-CG2 3.95Å; F324-V360 HydrophobicContact CE1-CB 3.88Å; F324-V360 HydrophobicContact CE1-CG1 3.76Å; F324-V360 HydrophobicContact CE1-CG2 3.99Å; F324-V360 HydrophobicContact CE2-CG1 4.17Å; F324-V360 HydrophobicContact CZ-CB 4.28Å; F324-V360 HydrophobicContact CZ-CG1 3.65Å; I328-V360 HydrophobicContact CD1-CG2 4.43Å; A347-V360 VanDerWaalsContact CA-O 3.26Å; A347-V360 WeakPolarHBondContact CA-O 3.34Å; V348-V360 HydrophobicContact CG1-CB 4.09Å; V348-V360 PolarHBondContact N-O 2.87Å; V348-V360 PolarHBondContact O-N 3.4Å; V360-I390 HydrophobicContact CG1-CD1 4.13Å; V360-I390 HydrophobicContact CG1-CG1 4.12Å; V360-H391 CarbonylContact C-O 3.57Å; V360-H391 WeakPolarHBondContact CA-O 3.29Å; V360-T392 HydrophobicContact CG2-CG2 3.96Å
361	V	95.6	Very high	94.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.7	178.2	-176.1	0	0	0	0	108.8	P345 D346 A347 V359 L371 I390 H391 Y393	P345-V361 HydrophobicContact CB-CG1 3.89Å; D346-V361 CarbonylContact O-C 3.48Å; D346-V361 WeakPolarHBondContact O-CA 3.29Å; A347-V361 HydrophobicContact CB-CG2 4.2Å; V359-V361 HydrophobicContact CG1-CG2 3.93Å; V361-L371 HydrophobicContact CG1-CD2 4.29Å; V361-I390 CarbonylContact O-C 3.16Å; V361-I390 VanDerWaalsContact O-CA 3.32Å; V361-I390 WeakPolarHBondContact O-CA 3.47Å; V361-H391 PolarHBondContact N-O 2.87Å; V361-H391 PolarHBondContact O-N 2.81Å; V361-Y393 HydrophobicContact CB-CE2 4.32Å; V361-Y393 HydrophobicContact CG2-CD2 4.24Å; V361-Y393 HydrophobicContact CG2-CE2 3.91Å
362	L	93.4	Very high	94.5	Very high	18 Å²	18	47.1 Å²	47.1	9%	0.094	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	118.3	176.5	171.7	67.5	0	0	0	109.1	L275 P345 D346 R364 I390	L275-L362 HydrophobicContact CD2-CD2 4.26Å; P345-L362 CarbonylContact C-O 3.56Å; P345-L362 WeakPolarHBondContact CA-O 3.49Å; D346-L362 HydrophobicContact CB-CB 4.41Å; D346-L362 PolarHBondContact N-O 2.76Å; D346-L362 PolarHBondContact O-N 3.35Å; L362-R364 HydrophobicContact CD1-CG 4.21Å; L362-R364 HydrophobicContact CD2-CG 3.95Å; L362-R364 HydrophobicContact CG-CG 3.87Å; L362-I390 HydrophobicContact CD1-CB 3.98Å; L362-I390 HydrophobicContact CD1-CD1 4.45Å; L362-I390 HydrophobicContact CD1-CG1 4.44Å
363	N	94.3	Very high	94.5	Very high	1 Å²	1	46 Å²	46	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	104.6	172.8	-177.8	5.3	0	0	0	110	P345 S365 K367 S385 P386 Y388 S389	P345-N363 HydrophobicContact CG-CB 4.41Å; N363-S365 VanDerWaalsContact C-N 3.34Å; N363-S365 WeakPolarHBondContact OD1-CB 3.45Å; N363-S365 PolarHBondContact OD1-N 2.97Å; N363-S365 PolarHBondContact OD1-OG 3.4Å; N363-K367 PolarHBondContact ND2-O 3.35Å; N363-S385 WeakPolarHBondContact CB-OG 3.41Å; N363-S385 PolarHBondContact ND2-O 2.72Å; N363-P386 PolarHBondContact ND2-O 2.91Å; N363-Y388 CarbonylContact O-C 3.58Å; N363-Y388 WeakPolarHBondContact O-CA 3.49Å; N363-Y388 PolarHBondContact O-N 2.85Å; N363-S389 PolarHBondContact N-O 2.77Å; N363-S389 PolarHBondContact O-N 2.86Å; N363-S389 VanDerWaalsContact O-N 3.08Å
364	R	91.3	Very high	94.7	Very high	105 Å²	105	45 Å²	45	40%	0.396	25%	0.249	S	C	.	.			trans	-86.9	-6.4	177.1	-64.2	179.1	-74.1	158.2	5.2	113	R274 D346 L362 Y388	R274-R364 PolarHBondContact O-NH1 2.84Å; D346-R364 IonicContact OD1-NH2 3.4Å; D346-R364 PolarHBondContact OD1-NH2 2.81Å; D346-R364 IonicContact OD2-CZ 3.08Å; D346-R364 IonicContact OD2-NE 2.83Å; D346-R364 PolarHBondContact OD2-NE 2.76Å; D346-R364 IonicContact OD2-NH2 2.68Å; D346-R364 PolarHBondContact OD2-NH2 3.3Å; L362-R364 HydrophobicContact CD1-CG 4.21Å; L362-R364 HydrophobicContact CD2-CG 3.95Å; L362-R364 HydrophobicContact CG-CG 3.87Å; R364-Y388 WeakPolarHBondContact O-CD1 3.08Å; R364-Y388 VanDerWaalsContact O-CE1 3.24Å; R364-Y388 WeakPolarHBondContact O-CE1 3.42Å
365	S	92.6	Very high	94.7	Very high	25 Å²	25	39 Å²	39	18%	0.175	22%	0.217	C	C	.	.	S	Bend	trans	-81.2	161.4	177.1	85.2	0	0	0	0	110.4	N363 K367 G387 Y388	N363-S365 VanDerWaalsContact C-N 3.34Å; N363-S365 WeakPolarHBondContact OD1-CB 3.45Å; N363-S365 PolarHBondContact OD1-N 2.97Å; N363-S365 PolarHBondContact OD1-OG 3.4Å; S365-K367 PolarHBondContact O-N 2.97Å; S365-K367 PolarHBondContact OG-N 3.44Å; S365-K367 PolarHBondContact OG-O 3.28Å; S365-G387 CarbonylContact O-C 3.54Å; S365-G387 WeakPolarHBondContact O-CA 3.13Å; S365-Y388 PolarHBondContact O-N 3.28Å
366	S	94.1	Very high	94.7	Very high	79 Å²	79	41.1 Å²	41.1	55%	0.552	22%	0.224	S	C	*	.	S	Bend	trans	-80.3	-1	173.2	65.7	0	0	0	0	113.7
367	K	95.4	Very high	94.6	Very high	147 Å²	147	42.9 Å²	42.9	64%	0.639	24%	0.24	S	C	*	.	S	Bend	trans	-103	139	-172.8	-63.8	179.3	-176.7	175.5	0	110.1	N363 S365	N363-K367 PolarHBondContact ND2-O 3.35Å; S365-K367 PolarHBondContact O-N 2.97Å; S365-K367 PolarHBondContact OG-N 3.44Å; S365-K367 PolarHBondContact OG-O 3.28Å
368	D	96.6	Very high	94.5	Very high	108 Å²	108	46.1 Å²	46.1	58%	0.578	26%	0.26	S	S	*	.			trans	-70.5	131.2	169.9	-66.7	1.4	0	0	0	109.5	I384 P386 G387	D368-I384 HydrophobicContact CB-CG2 4.09Å; D368-P386 VanDerWaalsContact OD1-CA 3.27Å; D368-P386 WeakPolarHBondContact OD1-CA 3.49Å; D368-G387 PolarHBondContact OD1-N 2.89Å
369	V	95.1	Very high	94.4	Very high	33 Å²	33	47.3 Å²	47.3	20%	0.2	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	104.8	-178.8	-177.5	0	0	0	0	108.8	P345 L371 S385	P345-V369 HydrophobicContact CG-CB 4.14Å; P345-V369 HydrophobicContact CG-CG1 4.08Å; P345-V369 HydrophobicContact CG-CG2 4.12Å; V369-L371 PolarHBondContact O-N 3.33Å; V369-S385 PolarHBondContact N-O 2.8Å; V369-S385 PolarHBondContact O-N 2.9Å
370	P	95.8	Very high	94.3	Very high	102 Å²	102	54 Å²	54	66%	0.662	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.7	132.7	166.4	-20.9	33	0	0	0	109.8
371	L	94.1	Very high	94.3	Very high	17 Å²	17	56.2 Å²	56.2	9%	0.089	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	145.4	-179.4	72.7	103.5	0	0	0	111.4	V361 V369 I373 T383 S385	V361-L371 HydrophobicContact CG1-CD2 4.29Å; V369-L371 PolarHBondContact O-N 3.33Å; L371-I373 HydrophobicContact CD1-CD1 4.1Å; L371-I373 HydrophobicContact CD1-CG1 3.62Å; L371-T383 HydrophobicContact CD1-CG2 3.45Å; L371-T383 VanDerWaalsContact CD1-CG2 3.45Å; L371-T383 HydrophobicContact CD2-CG2 4.22Å; L371-T383 HydrophobicContact CG-CG2 3.58Å; L371-T383 PolarHBondContact N-O 3.08Å; L371-T383 CarbonylContact O-C 3.5Å; L371-T383 PolarHBondContact O-N 3.2Å; L371-S385 VanDerWaalsContact CD2-CB 3.4Å
372	T	96.1	Very high	94.4	Very high	55 Å²	55	64 Å²	64	34%	0.337	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.9	173.8	-49.3	0	0	0	0	109	M1 F380 L381 E382	M1-T372 PolarHBondContact N-O 3.4Å; T372-F380 HydrophobicContact CG2-CB 3.87Å; T372-F380 HydrophobicContact CG2-CD1 3.86Å; T372-F380 HydrophobicContact CG2-CG 4.32Å; T372-L381 CarbonylContact C-O 3.45Å; T372-L381 WeakPolarHBondContact CA-O 3.32Å; T372-E382 HydrophobicContact CG2-CG 4.01Å
373	I	95.8	Very high	94.5	Very high	0 Å²	0	65 Å²	65	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	119.2	172.8	-52.7	175.2	0	0	0	107.5	V359 L371 F380 L381 Y393 W395	V359-I373 HydrophobicContact CB-CD1 4.35Å; V359-I373 HydrophobicContact CG1-CD1 4.12Å; L371-I373 HydrophobicContact CD1-CD1 4.1Å; L371-I373 HydrophobicContact CD1-CG1 3.62Å; I373-F380 CarbonylContact O-C 3.5Å; I373-F380 WeakPolarHBondContact O-CA 3.48Å; I373-L381 HydrophobicContact CB-CB 4.29Å; I373-L381 PolarHBondContact N-O 3.23Å; I373-L381 PolarHBondContact O-N 2.93Å; I373-Y393 HydrophobicContact CD1-CD2 3.81Å; I373-Y393 HydrophobicContact CD1-CE2 4.21Å; I373-Y393 HydrophobicContact CD1-CG 4.03Å; I373-W395 HydrophobicContact CG2-CH2 3.93Å
374	K	95.9	Very high	94.6	Very high	72 Å²	72	69.2 Å²	69.2	31%	0.313	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	121.7	176.1	-178.9	-170.4	177.4	-162.6	0	109.4	M1 E2 F3 G379 F380	M1-K374 PolarHBondContact O-N 2.84Å; E2-K374 HydrophobicContact CG-CD 4.21Å; E2-K374 WeakPolarHBondContact OE1-CE 3.41Å; E2-K374 IonicContact OE1-NZ 2.66Å; E2-K374 PolarHBondContact OE1-NZ 3.45Å; F3-K374 VanDerWaalsContact CB-O 3.25Å; F3-K374 WeakPolarHBondContact CB-O 3.36Å; F3-K374 PolarHBondContact N-O 3.25Å; K374-G379 WeakPolarHBondContact CA-O 3.33Å; K374-F380 HydrophobicContact CB-CD1 3.8Å; K374-F380 HydrophobicContact CB-CE1 3.82Å; K374-F380 HydrophobicContact CD-CD1 4.47Å; K374-F380 HydrophobicContact CD-CE1 3.65Å; K374-F380 HydrophobicContact CD-CZ 4.07Å; K374-F380 HydrophobicContact CG-CD1 3.88Å; K374-F380 HydrophobicContact CG-CE1 3.52Å; K374-F380 HydrophobicContact CG-CZ 4.09Å
375	D	94.4	Very high	94.8	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115.8	163.7	177.4	-9.7	0	0	0	108.4	F3 A377 V378 G379 W395 R397	F3-D375 HydrophobicContact CB-CB 4.45Å; D375-A377 PolarHBondContact O-N 3.36Å; D375-A377 PolarHBondContact OD1-N 2.61Å; D375-V378 HydrophobicContact CB-CG2 3.61Å; D375-V378 PolarHBondContact O-N 3.34Å; D375-G379 PolarHBondContact N-O 2.84Å; D375-G379 PolarHBondContact O-N 3.03Å; D375-W395 HydrophobicContact CB-CZ2 3.89Å; D375-W395 PolarHBondContact OD2-NE1 3.05Å; D375-R397 IonicContact OD1-CZ 2.69Å; D375-R397 IonicContact OD1-NE 3.66Å; D375-R397 PolarHBondContact OD1-NE 3.43Å; D375-R397 IonicContact OD1-NH2 3.36Å; D375-R397 PolarHBondContact OD1-NH2 2.95Å; D375-R397 WeakPolarHBondContact OD2-CD 3.47Å; D375-R397 WeakPolarHBondContact OD2-CG 3.24Å; D375-R397 IonicContact OD2-NE 3.26Å; D375-R397 PolarHBondContact OD2-NE 2.71Å
376	P	91.6	Very high	95	Very high	77 Å²	77	65.2 Å²	65.2	50%	0.5	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-23	-177.8	-27.4	34.6	0	0	0	115.1	F3	F3-P376 WeakPolarHBondContact O-CD 3.25Å; F3-P376 WeakPolarHBondContact O-CG 3.48Å
377	A	92	Very high	95	Very high	58 Å²	58	62.4 Å²	62.4	48%	0.479	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-25.2	179.9	0	0	0	0	0	114.2	D375	D375-A377 PolarHBondContact O-N 3.36Å; D375-A377 PolarHBondContact OD1-N 2.61Å
378	V	93.5	Very high	94.9	Very high	69 Å²	69	63.4 Å²	63.4	42%	0.418	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-19.5	-172.6	-62.3	0	0	0	0	114.6	D375	D375-V378 HydrophobicContact CB-CG2 3.61Å; D375-V378 PolarHBondContact O-N 3.34Å
379	G	93.6	Very high	94.9	Very high	24 Å²	24	59.2 Å²	59.2	25%	0.247	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	112.7	-132.4	-179.5	0	0	0	0	0	113.1	K374 D375	K374-G379 WeakPolarHBondContact CA-O 3.33Å; D375-G379 PolarHBondContact N-O 2.84Å; D375-G379 PolarHBondContact O-N 3.03Å
380	F	95.2	Very high	94.9	Very high	142 Å²	142	58.6 Å²	58.6	62%	0.623	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.5	-166.6	-58.3	-90.2	0	0	0	111.8	T372 I373 K374	T372-F380 HydrophobicContact CG2-CB 3.87Å; T372-F380 HydrophobicContact CG2-CD1 3.86Å; T372-F380 HydrophobicContact CG2-CG 4.32Å; I373-F380 CarbonylContact O-C 3.5Å; I373-F380 WeakPolarHBondContact O-CA 3.48Å; K374-F380 HydrophobicContact CB-CD1 3.8Å; K374-F380 HydrophobicContact CB-CE1 3.82Å; K374-F380 HydrophobicContact CD-CD1 4.47Å; K374-F380 HydrophobicContact CD-CE1 3.65Å; K374-F380 HydrophobicContact CD-CZ 4.07Å; K374-F380 HydrophobicContact CG-CD1 3.88Å; K374-F380 HydrophobicContact CG-CE1 3.52Å; K374-F380 HydrophobicContact CG-CZ 4.09Å
381	L	94.9	Very high	95	Very high	48 Å²	48	56.3 Å²	56.3	25%	0.251	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	106.7	168.4	-66.2	80.2	0	0	0	107.8	T372 I373 W395	T372-L381 CarbonylContact C-O 3.45Å; T372-L381 WeakPolarHBondContact CA-O 3.32Å; I373-L381 HydrophobicContact CB-CB 4.29Å; I373-L381 PolarHBondContact N-O 3.23Å; I373-L381 PolarHBondContact O-N 2.93Å; L381-W395 HydrophobicContact CD1-CD2 4.26Å; L381-W395 HydrophobicContact CD2-CD2 4.15Å; L381-W395 HydrophobicContact CD2-CE3 3.83Å; L381-W395 HydrophobicContact CD2-CZ3 4.38Å
382	E	95.8	Very high	95.1	Very high	165 Å²	165	56.7 Å²	56.7	77%	0.771	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	128	173.2	-64.4	-175.8	172.4	0	0	109.9	T372	T372-E382 HydrophobicContact CG2-CG 4.01Å
383	T	96.3	Very high	95.1	Very high	38 Å²	38	55.8 Å²	55.8	23%	0.233	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	171.3	-177.9	-176.7	0	0	0	0	110.5	L371 Y393	L371-T383 HydrophobicContact CD1-CG2 3.45Å; L371-T383 VanDerWaalsContact CD1-CG2 3.45Å; L371-T383 HydrophobicContact CD2-CG2 4.22Å; L371-T383 HydrophobicContact CG-CG2 3.58Å; L371-T383 PolarHBondContact N-O 3.08Å; L371-T383 CarbonylContact O-C 3.5Å; L371-T383 PolarHBondContact O-N 3.2Å; T383-Y393 HydrophobicContact CG2-CE1 3.86Å; T383-Y393 VanDerWaalsContact CG2-OH 3.23Å; T383-Y393 WeakPolarHBondContact CG2-OH 3.23Å; T383-Y393 PolarHBondContact OG1-OH 3.27Å
384	I	95.8	Very high	95.1	Very high	89 Å²	89	59.6 Å²	59.6	46%	0.456	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.5	168.8	-58.8	169.3	0	0	0	107.4	D368 P386 H391	D368-I384 HydrophobicContact CB-CG2 4.09Å; I384-P386 WeakPolarHBondContact O-CD 3.35Å; I384-H391 PolarHBondContact O-CE1 3.38Å
385	S	96.1	Very high	95.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	100.8	163.3	-178.9	0	0	0	0	107.9	N363 V369 L371 S389	N363-S385 WeakPolarHBondContact CB-OG 3.41Å; N363-S385 PolarHBondContact ND2-O 2.72Å; V369-S385 PolarHBondContact N-O 2.8Å; V369-S385 PolarHBondContact O-N 2.9Å; L371-S385 VanDerWaalsContact CD2-CB 3.4Å; S385-S389 PolarHBondContact OG-OG 2.91Å
386	P	97.6	Very high	95.1	Very high	47 Å²	47	67.6 Å²	67.6	31%	0.305	35%	0.345	S	S	.	.			trans	-57.6	158.4	178	-24.2	34.3	0	0	0	112.1	N363 D368 I384 S389 H391	N363-P386 PolarHBondContact ND2-O 2.91Å; D368-P386 VanDerWaalsContact OD1-CA 3.27Å; D368-P386 WeakPolarHBondContact OD1-CA 3.49Å; I384-P386 WeakPolarHBondContact O-CD 3.35Å; P386-S389 WeakPolarHBondContact CD-OG 3.19Å; P386-S389 WeakPolarHBondContact O-CB 3.33Å; P386-S389 PolarHBondContact O-OG 2.84Å; P386-H391 WeakPolarHBondContact CD-CE1 3.32Å
387	G	93.6	Very high	94.7	Very high	19 Å²	19	66.5 Å²	66.5	20%	0.196	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	141.3	170	0	0	0	0	0	111.6	S365 D368 S389	S365-G387 CarbonylContact O-C 3.54Å; S365-G387 WeakPolarHBondContact O-CA 3.13Å; D368-G387 PolarHBondContact OD1-N 2.89Å; G387-S389 PolarHBondContact O-N 3.06Å
388	Y	94.3	Very high	94	Very high	169 Å²	169	75.4 Å²	75.4	66%	0.663	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	46.9	-179.6	-52.8	-59.1	0	0	0	114.2	N363 R364 S365	N363-Y388 CarbonylContact O-C 3.58Å; N363-Y388 WeakPolarHBondContact O-CA 3.49Å; N363-Y388 PolarHBondContact O-N 2.85Å; R364-Y388 WeakPolarHBondContact O-CD1 3.08Å; R364-Y388 VanDerWaalsContact O-CE1 3.24Å; R364-Y388 WeakPolarHBondContact O-CE1 3.42Å; S365-Y388 PolarHBondContact O-N 3.28Å
389	S	94.8	Very high	94	Very high	19 Å²	19	75.7 Å²	75.7	13%	0.133	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	158.5	-177.6	70.7	0	0	0	0	112.9	N363 S385 P386 G387	N363-S389 PolarHBondContact N-O 2.77Å; N363-S389 PolarHBondContact O-N 2.86Å; N363-S389 VanDerWaalsContact O-N 3.08Å; S385-S389 PolarHBondContact OG-OG 2.91Å; P386-S389 WeakPolarHBondContact CD-OG 3.19Å; P386-S389 WeakPolarHBondContact O-CB 3.33Å; P386-S389 PolarHBondContact O-OG 2.84Å; G387-S389 PolarHBondContact O-N 3.06Å
390	I	96.6	Very high	94	Very high	21 Å²	21	78.4 Å²	78.4	11%	0.108	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	127.4	166.6	-178.4	169.9	0	0	0	108.9	H323 F324 V360 V361 L362	H323-I390 HydrophobicContact CB-CD1 3.6Å; H323-I390 HydrophobicContact CB-CG1 4Å; H323-I390 PolarHBondContact CE1-O 3.45Å; H323-I390 PolarHBondContact NE2-O 3.14Å; F324-I390 HydrophobicContact CE2-CD1 4.03Å; V360-I390 HydrophobicContact CG1-CD1 4.13Å; V360-I390 HydrophobicContact CG1-CG1 4.12Å; V361-I390 CarbonylContact O-C 3.16Å; V361-I390 VanDerWaalsContact O-CA 3.32Å; V361-I390 WeakPolarHBondContact O-CA 3.47Å; L362-I390 HydrophobicContact CD1-CB 3.98Å; L362-I390 HydrophobicContact CD1-CD1 4.45Å; L362-I390 HydrophobicContact CD1-CG1 4.44Å
391	H	96.8	Very high	94	Very high	53 Å²	53	74.9 Å²	74.9	25%	0.245	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.2	-178.6	-67.9	178.6	0	0	0	110.5	V360 V361 I384 P386 Y393	V360-H391 CarbonylContact C-O 3.57Å; V360-H391 WeakPolarHBondContact CA-O 3.29Å; V361-H391 PolarHBondContact N-O 2.87Å; V361-H391 PolarHBondContact O-N 2.81Å; I384-H391 PolarHBondContact O-CE1 3.38Å; P386-H391 WeakPolarHBondContact CD-CE1 3.32Å; H391-Y393 HydrophobicContact CB-CD2 4.27Å; H391-Y393 HydrophobicContact CB-CE2 3.49Å; H391-Y393 VanDerWaalsContact CB-CE2 3.49Å; H391-Y393 AromaticContact ND1-CZ 3.69Å; H391-Y393 PolarHBondContact ND1-OH 3.23Å
392	T	96.4	Very high	93.9	Very high	26 Å²	26	76.5 Å²	76.5	16%	0.16	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	117.1	170.3	-55.1	0	0	0	0	109.2	H323 F327 V358 V359 V360 L394	H323-T392 WeakPolarHBondContact CB-OG1 3.15Å; H323-T392 PolarHBondContact ND1-OG1 3.03Å; H323-T392 PolarHBondContact O-OG1 3.42Å; F327-T392 HydrophobicContact CB-CG2 3.65Å; F327-T392 HydrophobicContact CD2-CG2 3.64Å; F327-T392 HydrophobicContact CE2-CG2 4.4Å; F327-T392 HydrophobicContact CG-CG2 3.72Å; V358-T392 HydrophobicContact CG2-CG2 3.57Å; V359-T392 CarbonylContact O-C 3.58Å; V359-T392 WeakPolarHBondContact O-CA 3.27Å; V360-T392 HydrophobicContact CG2-CG2 3.96Å; T392-L394 HydrophobicContact CG2-CD1 4.27Å
393	Y	97.1	Very high	93.8	Very high	36 Å²	36	70.9 Å²	70.9	14%	0.141	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	132.7	-178.8	-58.8	-86.8	0	0	0	109.7	V358 V359 V361 I373 T383 H391	V358-Y393 WeakPolarHBondContact CA-O 3.33Å; V359-Y393 PolarHBondContact N-O 2.83Å; V359-Y393 PolarHBondContact O-N 2.83Å; V361-Y393 HydrophobicContact CB-CE2 4.32Å; V361-Y393 HydrophobicContact CG2-CD2 4.24Å; V361-Y393 HydrophobicContact CG2-CE2 3.91Å; I373-Y393 HydrophobicContact CD1-CD2 3.81Å; I373-Y393 HydrophobicContact CD1-CE2 4.21Å; I373-Y393 HydrophobicContact CD1-CG 4.03Å; T383-Y393 HydrophobicContact CG2-CE1 3.86Å; T383-Y393 VanDerWaalsContact CG2-OH 3.23Å; T383-Y393 WeakPolarHBondContact CG2-OH 3.23Å; T383-Y393 PolarHBondContact OG1-OH 3.27Å; H391-Y393 HydrophobicContact CB-CD2 4.27Å; H391-Y393 HydrophobicContact CB-CE2 3.49Å; H391-Y393 VanDerWaalsContact CB-CE2 3.49Å; H391-Y393 AromaticContact ND1-CZ 3.69Å; H391-Y393 PolarHBondContact ND1-OH 3.23Å
394	L	96.1	Very high	93.6	Very high	79 Å²	79	73.1 Å²	73.1	41%	0.414	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	140	173.9	-58.2	111	0	0	0	109	F327 V358 T392	F327-L394 HydrophobicContact CB-CD1 4.47Å; F327-L394 HydrophobicContact CB-CD2 4.38Å; F327-L394 HydrophobicContact CD1-CD1 3.54Å; F327-L394 HydrophobicContact CD1-CD2 4.34Å; F327-L394 HydrophobicContact CE1-CD1 3.94Å; F327-L394 HydrophobicContact CG-CD1 4.13Å; V358-L394 HydrophobicContact CB-CD2 4.19Å; V358-L394 HydrophobicContact CB-CG 4.46Å; V358-L394 HydrophobicContact CG2-CD2 4.11Å; V358-L394 HydrophobicContact CG2-CG 4.15Å; T392-L394 HydrophobicContact CG2-CD1 4.27Å
395	W	95.1	Very high	93.5	Very high	33 Å²	33	72 Å²	72	13%	0.125	33%	0.33	C	S	.	.			trans	-148.5	166.2	172.3	63.6	96.3	0	0	0	110	P357 V359 I373 D375 L381	P357-W395 HydrophobicContact CB-CD2 4.42Å; P357-W395 HydrophobicContact CB-CH2 4.04Å; P357-W395 HydrophobicContact CB-CZ2 3.65Å; P357-W395 VanDerWaalsContact CD-O 3.24Å; P357-W395 WeakPolarHBondContact CD-O 3.33Å; P357-W395 HydrophobicContact CG-CD2 3.61Å; P357-W395 HydrophobicContact CG-CE3 4.32Å; P357-W395 HydrophobicContact CG-CG 3.92Å; P357-W395 HydrophobicContact CG-CH2 4.2Å; P357-W395 HydrophobicContact CG-CZ2 3.47Å; P357-W395 VanDerWaalsContact CG-CZ2 3.47Å; V359-W395 HydrophobicContact CB-CH2 4.43Å; V359-W395 HydrophobicContact CB-CZ3 4.3Å; V359-W395 HydrophobicContact CG2-CH2 3.54Å; V359-W395 HydrophobicContact CG2-CZ3 3.87Å; I373-W395 HydrophobicContact CG2-CH2 3.93Å; D375-W395 HydrophobicContact CB-CZ2 3.89Å; D375-W395 PolarHBondContact OD2-NE1 3.05Å; L381-W395 HydrophobicContact CD1-CD2 4.26Å; L381-W395 HydrophobicContact CD2-CD2 4.15Å; L381-W395 HydrophobicContact CD2-CE3 3.83Å; L381-W395 HydrophobicContact CD2-CZ3 4.38Å
396	R	93.2	Very high	93.3	Very high	207 Å²	207	77.5 Å²	77.5	78%	0.781	36%	0.355	S	S	*	.			trans	-94.9	142.1	173.7	-65.6	-171.2	-178.2	-162.7	0.2	109.8
397	R	85.1	Confident	92.9	Very high	55 Å²	55	80.1 Å²	80.1	21%	0.208	36%	0.359	C	S	.	.			trans	-90	-26.9	173.1	-70.9	-178.5	94.5	-148.6	3.2	112.9	S5 P357 D375	S5-R397 PolarHBondContact OG-NH2 2.87Å; P357-R397 HydrophobicContact CG-CG 3.88Å; D375-R397 IonicContact OD1-CZ 2.69Å; D375-R397 IonicContact OD1-NE 3.66Å; D375-R397 PolarHBondContact OD1-NE 3.43Å; D375-R397 IonicContact OD1-NH2 3.36Å; D375-R397 PolarHBondContact OD1-NH2 2.95Å; D375-R397 WeakPolarHBondContact OD2-CD 3.47Å; D375-R397 WeakPolarHBondContact OD2-CG 3.24Å; D375-R397 IonicContact OD2-NE 3.26Å; D375-R397 PolarHBondContact OD2-NE 2.71Å
398	Q	76.3	Confident	92.9	Very high	244 Å²	244	85.6 Å²	85.6	100%	1.14	37%	0.374	S	S	*	.			trans	-150	0	178.4	-63.3	-174.7	-7.1	0	0	110.1

Retrieved 398 of 398 residues in 693.3 ms (Link to these results)

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