A0A5K4FF11_SCHMA Loading...

Leishmanolysin-like peptidase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FF11, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 552 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	30.9	Very low	34.6	Very low	211 Å²	211	106.3 Å²	106.3	100%	1.039	52%	0.517	S	S	*	.				0	-13.4	0	-131.2	168.8	78.7	0	0	113.8
2	K	36.1	Very low	34.6	Very low	119 Å²	119	99.4 Å²	99.4	52%	0.517	49%	0.486	S	S	.	.			trans	-107	-2.1	177.2	-71.3	-177.3	177.9	178.5	0	116.1	Y4 I5	K2-Y4 PolarHBondContact O-N 3.19Å; K2-I5 HydrophobicContact CB-CD1 4.31Å; K2-I5 HydrophobicContact CD-CD1 4.23Å; K2-I5 HydrophobicContact CG-CD1 3.96Å; K2-I5 PolarHBondContact O-N 3.17Å
3	I	36.4	Very low	34.7	Very low	129 Å²	129	94.5 Å²	94.5	66%	0.662	46%	0.463	S	S	*	.	H	α-helix	trans	-47.9	-28.7	159.2	-68.2	168.5	0	0	0	110.5	F6 V7	I3-F6 WeakPolarHBondContact O-CB 3.42Å; I3-F6 PolarHBondContact O-N 2.83Å; I3-V7 HydrophobicContact CG2-CG2 4.45Å; I3-V7 VanDerWaalsContact O-CG2 3.29Å; I3-V7 WeakPolarHBondContact O-CG2 3.48Å; I3-V7 PolarHBondContact O-N 2.88Å
4	Y	28.6	Very low	34.9	Very low	170 Å²	170	91.4 Å²	91.4	67%	0.667	45%	0.449	S	S	*	.	H	α-helix	trans	-67.8	-27.8	174.3	-70.8	-74.4	0	0	0	115.8	K2 V7 F8	K2-Y4 PolarHBondContact O-N 3.19Å; Y4-V7 CarbonylContact O-C 3.59Å; Y4-V7 WeakPolarHBondContact O-CB 3.38Å; Y4-V7 PolarHBondContact O-N 2.86Å; Y4-F8 PolarHBondContact O-N 2.99Å
5	I	37.1	Very low	34.6	Very low	103 Å²	103	91.7 Å²	91.7	53%	0.528	45%	0.449	S	S	.	.	H	α-helix	trans	-73.5	-36.6	174.8	-61.6	176.2	0	0	0	109.5	K2 F8 V9	K2-I5 HydrophobicContact CB-CD1 4.31Å; K2-I5 HydrophobicContact CD-CD1 4.23Å; K2-I5 HydrophobicContact CG-CD1 3.96Å; K2-I5 PolarHBondContact O-N 3.17Å; I5-F8 CarbonylContact O-C 3.54Å; I5-F8 WeakPolarHBondContact O-CA 3.18Å; I5-F8 VanDerWaalsContact O-CB 3.24Å; I5-F8 WeakPolarHBondContact O-CB 3.49Å; I5-F8 PolarHBondContact O-N 3.16Å; I5-V9 PolarHBondContact O-N 2.87Å
6	F	37.5	Very low	34.6	Very low	72 Å²	72	87.3 Å²	87.3	32%	0.316	43%	0.43	S	S	.	.	H	α-helix	trans	-67.3	-40	170.9	-137.2	-76.1	0	0	0	111.7	I3 F8 V9 C10 H435 P436	I3-F6 WeakPolarHBondContact O-CB 3.42Å; I3-F6 PolarHBondContact O-N 2.83Å; F6-F8 PolarHBondContact O-N 3.39Å; F6-V9 PolarHBondContact O-N 3.03Å; F6-C10 VanDerWaalsContact CD1-SG 3.54Å; F6-C10 VanDerWaalsContact CE1-SG 3.56Å; F6-C10 WeakPolarHBondContact O-CA 3.49Å; F6-C10 WeakPolarHBondContact O-CB 3.42Å; F6-C10 PolarHBondContact O-N 3.24Å; F6-H435 HydrophobicContact CZ-CB 4.43Å; F6-P436 HydrophobicContact CE2-CB 4.47Å; F6-P436 HydrophobicContact CE2-CG 3.61Å; F6-P436 VanDerWaalsContact CZ-CD 3.46Å; F6-P436 HydrophobicContact CZ-CG 3.6Å
7	V	36.3	Very low	34.9	Very low	58 Å²	58	84.7 Å²	84.7	35%	0.352	42%	0.42	S	S	.	.	H	α-helix	trans	-57.9	-30.8	166.6	170.9	0	0	0	0	110	I3 Y4 I11	I3-V7 HydrophobicContact CG2-CG2 4.45Å; I3-V7 VanDerWaalsContact O-CG2 3.29Å; I3-V7 WeakPolarHBondContact O-CG2 3.48Å; I3-V7 PolarHBondContact O-N 2.88Å; Y4-V7 CarbonylContact O-C 3.59Å; Y4-V7 WeakPolarHBondContact O-CB 3.38Å; Y4-V7 PolarHBondContact O-N 2.86Å; V7-I11 HydrophobicContact CG1-CD1 3.31Å; V7-I11 HydrophobicContact CG1-CG1 3.95Å; V7-I11 VanDerWaalsContact O-CA 3.27Å; V7-I11 WeakPolarHBondContact O-CA 3.28Å; V7-I11 WeakPolarHBondContact O-CB 3.1Å; V7-I11 VanDerWaalsContact O-CD1 3.27Å; V7-I11 WeakPolarHBondContact O-CD1 3.42Å; V7-I11 WeakPolarHBondContact O-CG1 3.45Å; V7-I11 PolarHBondContact O-N 2.69Å
8	F	33.2	Very low	34.4	Very low	141 Å²	141	85.3 Å²	85.3	62%	0.618	42%	0.424	S	S	*	.	H	α-helix	trans	-74.7	-45.5	175.9	-125.2	-88.8	0	0	0	114	Y4 I5 F6 I11 V12	Y4-F8 PolarHBondContact O-N 2.99Å; I5-F8 CarbonylContact O-C 3.54Å; I5-F8 WeakPolarHBondContact O-CA 3.18Å; I5-F8 VanDerWaalsContact O-CB 3.24Å; I5-F8 WeakPolarHBondContact O-CB 3.49Å; I5-F8 PolarHBondContact O-N 3.16Å; F6-F8 PolarHBondContact O-N 3.39Å; F8-I11 CarbonylContact O-C 3.57Å; F8-I11 WeakPolarHBondContact O-CA 3.34Å; F8-I11 PolarHBondContact O-N 3.24Å; F8-V12 VanDerWaalsContact O-CG2 3.31Å; F8-V12 WeakPolarHBondContact O-CG2 3.34Å; F8-V12 PolarHBondContact O-N 3.01Å
9	V	38.1	Very low	34	Very low	74 Å²	74	83.7 Å²	83.7	45%	0.448	43%	0.431	S	S	.	.	H	α-helix	trans	-71	-40.8	176.4	177.7	0	0	0	0	111	I5 F6 I11 V12 L13	I5-V9 PolarHBondContact O-N 2.87Å; F6-V9 PolarHBondContact O-N 3.03Å; V9-I11 PolarHBondContact O-N 3.34Å; V9-V12 PolarHBondContact O-N 3.12Å; V9-L13 WeakPolarHBondContact O-CG 3.39Å; V9-L13 PolarHBondContact O-N 3.25Å
10	C	33.6	Very low	33.6	Very low	40 Å²	40	89.3 Å²	89.3	27%	0.27	45%	0.452	S	S	.	.	H	α-helix	trans	-64	-28.2	165.4	-72.6	0	0	0	0	111.1	F6 L13 L14	F6-C10 VanDerWaalsContact CD1-SG 3.54Å; F6-C10 VanDerWaalsContact CE1-SG 3.56Å; F6-C10 WeakPolarHBondContact O-CA 3.49Å; F6-C10 WeakPolarHBondContact O-CB 3.42Å; F6-C10 PolarHBondContact O-N 3.24Å; C10-L13 CarbonylContact O-C 3.56Å; C10-L13 WeakPolarHBondContact O-CA 3.03Å; C10-L13 PolarHBondContact O-N 3.31Å; C10-L14 VanDerWaalsContact C-CD1 3.41Å; C10-L14 HydrophobicContact CB-CD1 3.87Å; C10-L14 HydrophobicContact CB-CG 4.43Å; C10-L14 VanDerWaalsContact O-CA 3.24Å; C10-L14 WeakPolarHBondContact O-CA 3.11Å; C10-L14 WeakPolarHBondContact O-CB 3.3Å; C10-L14 WeakPolarHBondContact O-CD1 3.32Å; C10-L14 WeakPolarHBondContact O-CG 3.15Å; C10-L14 PolarHBondContact O-N 3.49Å
11	I	32.9	Very low	33.2	Very low	52 Å²	52	91.7 Å²	91.7	27%	0.267	46%	0.461	S	S	.	.	H	α-helix	trans	-75	-39.4	177.4	-84	166.4	0	0	0	111.4	V7 F8 V9 L13 L14 Q15	V7-I11 HydrophobicContact CG1-CD1 3.31Å; V7-I11 HydrophobicContact CG1-CG1 3.95Å; V7-I11 VanDerWaalsContact O-CA 3.27Å; V7-I11 WeakPolarHBondContact O-CA 3.28Å; V7-I11 WeakPolarHBondContact O-CB 3.1Å; V7-I11 VanDerWaalsContact O-CD1 3.27Å; V7-I11 WeakPolarHBondContact O-CD1 3.42Å; V7-I11 WeakPolarHBondContact O-CG1 3.45Å; V7-I11 PolarHBondContact O-N 2.69Å; F8-I11 CarbonylContact O-C 3.57Å; F8-I11 WeakPolarHBondContact O-CA 3.34Å; F8-I11 PolarHBondContact O-N 3.24Å; V9-I11 PolarHBondContact O-N 3.34Å; I11-L13 PolarHBondContact O-N 3.19Å; I11-L14 HydrophobicContact CB-CD1 4.33Å; I11-L14 HydrophobicContact CG1-CD1 3.66Å; I11-L14 PolarHBondContact O-N 2.93Å; I11-Q15 HydrophobicContact CG2-CG 4.11Å; I11-Q15 WeakPolarHBondContact O-CB 3.49Å; I11-Q15 PolarHBondContact O-N 2.96Å
12	V	35.2	Very low	32.9	Very low	24 Å²	24	89 Å²	89	15%	0.145	45%	0.451	C	S	.	.	H	α-helix	trans	-60.5	-33.5	169.5	172.4	0	0	0	0	109.5	F8 V9 S16 I179 L201 E205	F8-V12 VanDerWaalsContact O-CG2 3.31Å; F8-V12 WeakPolarHBondContact O-CG2 3.34Å; F8-V12 PolarHBondContact O-N 3.01Å; V9-V12 PolarHBondContact O-N 3.12Å; V12-S16 WeakPolarHBondContact O-CB 3.2Å; V12-I179 HydrophobicContact CG1-CG2 3.88Å; V12-L201 HydrophobicContact CG1-CD2 4.09Å; V12-E205 HydrophobicContact CG1-CG 4.43Å
13	L	35.3	Very low	32.3	Very low	36 Å²	36	91.5 Å²	91.5	19%	0.188	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-12.4	168.6	-64	170.2	0	0	0	115.2	V9 C10 I11 S16	V9-L13 WeakPolarHBondContact O-CG 3.39Å; V9-L13 PolarHBondContact O-N 3.25Å; C10-L13 CarbonylContact O-C 3.56Å; C10-L13 WeakPolarHBondContact O-CA 3.03Å; C10-L13 PolarHBondContact O-N 3.31Å; I11-L13 PolarHBondContact O-N 3.19Å; L13-S16 WeakPolarHBondContact CA-OG 3.5Å; L13-S16 PolarHBondContact O-OG 2.68Å
14	L	37.4	Very low	31.6	Very low	51 Å²	51	93.5 Å²	93.5	27%	0.267	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-38.3	-176.6	-76.7	141.6	0	0	0	109.2	C10 I11 I18 Y308	C10-L14 VanDerWaalsContact C-CD1 3.41Å; C10-L14 HydrophobicContact CB-CD1 3.87Å; C10-L14 HydrophobicContact CB-CG 4.43Å; C10-L14 VanDerWaalsContact O-CA 3.24Å; C10-L14 WeakPolarHBondContact O-CA 3.11Å; C10-L14 WeakPolarHBondContact O-CB 3.3Å; C10-L14 WeakPolarHBondContact O-CD1 3.32Å; C10-L14 WeakPolarHBondContact O-CG 3.15Å; C10-L14 PolarHBondContact O-N 3.49Å; I11-L14 HydrophobicContact CB-CD1 4.33Å; I11-L14 HydrophobicContact CG1-CD1 3.66Å; I11-L14 PolarHBondContact O-N 2.93Å; L14-I18 WeakPolarHBondContact O-CD1 2.85Å; L14-I18 VanDerWaalsContact O-CG1 3.26Å; L14-I18 WeakPolarHBondContact O-CG1 3.39Å; L14-I18 PolarHBondContact O-N 2.76Å; L14-Y308 HydrophobicContact CB-CE1 4.47Å; L14-Y308 HydrophobicContact CD2-CE1 3.86Å; L14-Y308 HydrophobicContact CG-CE1 4.11Å
15	Q	29.9	Very low	31.4	Very low	96 Å²	96	90.3 Å²	90.3	45%	0.449	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-16.2	170.7	-66.7	-175.8	-9.6	0	0	110.7	I11 V17 S178	I11-Q15 HydrophobicContact CG2-CG 4.11Å; I11-Q15 WeakPolarHBondContact O-CB 3.49Å; I11-Q15 PolarHBondContact O-N 2.96Å; Q15-V17 PolarHBondContact O-N 3.48Å; Q15-S178 WeakPolarHBondContact O-CB 3.45Å
16	S	35.8	Very low	30.8	Very low	21 Å²	21	90.2 Å²	90.2	15%	0.147	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-16	175.5	69.4	0	0	0	0	115.5	V12 L13 I179 H180	V12-S16 WeakPolarHBondContact O-CB 3.2Å; L13-S16 WeakPolarHBondContact CA-OG 3.5Å; L13-S16 PolarHBondContact O-OG 2.68Å; S16-I179 VanDerWaalsContact CA-O 3.31Å; S16-I179 WeakPolarHBondContact CA-O 3.45Å; S16-I179 WeakPolarHBondContact CB-O 3.48Å; S16-I179 PolarHBondContact N-O 3.2Å; S16-H180 WeakPolarHBondContact O-CB 3.37Å
17	V	38.3	Very low	30.1	Very low	43 Å²	43	94.6 Å²	94.6	26%	0.261	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.9	-20.8	-169.3	-164.6	0	0	0	0	113.7	Q15 G19 H294 T307	Q15-V17 PolarHBondContact O-N 3.48Å; V17-G19 PolarHBondContact O-N 2.84Å; V17-H294 WeakPolarHBondContact CG1-CE1 3.31Å; V17-T307 HydrophobicContact CB-CG2 4.35Å; V17-T307 HydrophobicContact CG1-CG2 3.66Å
18	I	26.5	Very low	29.5	Very low	96 Å²	96	99.1 Å²	99.1	49%	0.492	51%	0.512	S	S	.	.			trans	-83.7	55.2	173.9	-49.1	166.7	0	0	0	109.8	L14 K20	L14-I18 WeakPolarHBondContact O-CD1 2.85Å; L14-I18 VanDerWaalsContact O-CG1 3.26Å; L14-I18 WeakPolarHBondContact O-CG1 3.39Å; L14-I18 PolarHBondContact O-N 2.76Å; I18-K20 PolarHBondContact O-N 3.33Å
19	G	27.6	Very low	29.1	Very low	54 Å²	54	96.3 Å²	96.3	56%	0.557	51%	0.51	S	S	*	.			trans	-72.2	97.1	154	0	0	0	0	0	106.9	V17 H21	V17-G19 PolarHBondContact O-N 2.84Å; G19-H21 PolarHBondContact O-N 2.03Å; G19-H21 VanDerWaalsContact O-N 3.09Å
20	K	24.9	Very low	28.4	Very low	195 Å²	195	101.2 Å²	101.2	85%	0.848	53%	0.527	S	S	*	.			trans	-51.6	122.2	168.6	-89.4	-178.6	175	177.8	0	108.1	I18 D22	I18-K20 PolarHBondContact O-N 3.33Å; K20-D22 PolarHBondContact O-N 3.5Å
21	H	25.2	Very low	28.1	Very low	140 Å²	140	105.6 Å²	105.6	65%	0.648	55%	0.548	S	S	*	.			trans	-44.6	107.4	171.6	-75.4	-71.3	0	0	0	111.1	G19	G19-H21 PolarHBondContact O-N 2.03Å; G19-H21 VanDerWaalsContact O-N 3.09Å
22	D	24	Very low	27.8	Very low	154 Å²	154	105.1 Å²	105.1	82%	0.824	56%	0.556	S	S	*	*				-88.4	122.7	128	-110.1	-27.4	0	0	0	106.2	K20 Q24	K20-D22 PolarHBondContact O-N 3.5Å; D22-Q24 PolarHBondContact O-N 2.02Å
23	Q	23.6	Very low	27.8	Very low	172 Å²	172	108.1 Å²	108.1	80%	0.804	57%	0.568	S	S	*	*			trans	-62.8	81.4	167	-70.3	174.8	-59.5	0	0	107.6	V25	Q23-V25 PolarHBondContact O-N 3.01Å
24	Q	23.5	Very low	27.8	Very low	171 Å²	171	111.6 Å²	111.6	80%	0.799	59%	0.587	S	S	*	*			trans	-68.5	88.7	145.6	-80	-166.7	-13.1	0	0	105.4	D22 V26	D22-Q24 PolarHBondContact O-N 2.02Å; Q24-V26 PolarHBondContact O-N 2.82Å; Q24-V26 VanDerWaalsContact O-N 3.09Å
25	V	22.9	Very low	28.1	Very low	104 Å²	104	110.2 Å²	110.2	63%	0.63	58%	0.58	S	S	*	*			trans	-27.2	118.4	143.1	177.2	0	0	0	0	105.3	Q23 Q27	Q23-V25 PolarHBondContact O-N 3.01Å; V25-Q27 PolarHBondContact O-N 2.97Å
26	V	25.5	Very low	28.9	Very low	100 Å²	100	108.7 Å²	108.7	61%	0.606	57%	0.571	S	S	*	*			trans	-50.7	92.9	151.8	172.9	0	0	0	0	102.5	Q24 E28	Q24-V26 PolarHBondContact O-N 2.82Å; Q24-V26 VanDerWaalsContact O-N 3.09Å; V26-E28 PolarHBondContact O-N 2.8Å
27	Q	21.5	Very low	29.2	Very low	164 Å²	164	110.3 Å²	110.3	77%	0.766	58%	0.581	S	S	*	*			trans	-56.2	111.5	169.2	-82.6	-175.1	-33.8	0	0	100.2	V25 S29	V25-Q27 PolarHBondContact O-N 2.97Å; Q27-S29 PolarHBondContact O-N 2.74Å
28	E	23.8	Very low	29.2	Very low	154 Å²	154	114.2 Å²	114.2	72%	0.72	60%	0.596	S	S	*	*			trans	-44.2	105.1	147.1	-75.7	-174.4	163	0	0	102.5	V26 H30	V26-E28 PolarHBondContact O-N 2.8Å; E28-H30 PolarHBondContact O-N 3.26Å
29	S	24.9	Very low	29.7	Very low	81 Å²	81	116.4 Å²	116.4	57%	0.566	61%	0.609	S	S	*	*			trans	-60.6	97.1	-179.8	53.1	0	0	0	0	103.5	Q27 D31	Q27-S29 PolarHBondContact O-N 2.74Å; S29-D31 PolarHBondContact O-N 3.13Å
30	H	24.3	Very low	30	Very low	177 Å²	177	122.8 Å²	122.8	82%	0.819	62%	0.622	S	S	*	*	S	Bend	trans	-67	3.7	169.6	-86.1	-50	0	0	0	110.6	E28	E28-H30 PolarHBondContact O-N 3.26Å
31	D	26.3	Very low	30.6	Very low	133 Å²	133	122.3 Å²	122.3	71%	0.711	62%	0.622	S	S	*	*	S	Bend	trans	-102.5	83.7	161.1	-118.2	-15.3	0	0	0	111.7	S29 H33	S29-D31 PolarHBondContact O-N 3.13Å; D31-H33 VanDerWaalsContact C-N 3.32Å; D31-H33 PolarHBondContact O-CD2 3.47Å; D31-H33 VanDerWaalsContact O-CD2 3.28Å; D31-H33 PolarHBondContact O-N 2.92Å
32	G	28.1	Very low	31.1	Very low	42 Å²	42	125.3 Å²	125.3	43%	0.433	63%	0.634	S	S	.	*			trans	35.1	26.3	137.3	0	0	0	0	0	123.3	L34 R114	G32-L34 VanDerWaalsContact C-N 3.27Å; G32-L34 PolarHBondContact O-N 2.79Å; G32-R114 PolarHBondContact O-NH2 2.82Å
33	H	35.4	Very low	31.8	Very low	86 Å²	86	129.9 Å²	129.9	40%	0.398	64%	0.64	S	S	.	*			trans	-87.9	56.3	170.3	-64.8	-82.2	0	0	0	113.3	D31 R114 R187	D31-H33 VanDerWaalsContact C-N 3.32Å; D31-H33 PolarHBondContact O-CD2 3.47Å; D31-H33 VanDerWaalsContact O-CD2 3.28Å; D31-H33 PolarHBondContact O-N 2.92Å; H33-R114 PolarHBondContact ND1-NH1 2.75Å; H33-R114 VanDerWaalsContact ND1-NH1 3.2Å; H33-R114 PolarHBondContact ND1-NH2 2.84Å; H33-R187 PolarHBondContact O-NH1 3.29Å
34	L	35.1	Very low	32.9	Very low	110 Å²	110	126 Å²	126	58%	0.576	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-69	133.7	175.7	-67.4	167.1	0	0	0	111	G32 Y36	G32-L34 VanDerWaalsContact C-N 3.27Å; G32-L34 PolarHBondContact O-N 2.79Å; L34-Y36 HydrophobicContact CB-CE1 4.41Å; L34-Y36 HydrophobicContact CB-CE2 4.48Å; L34-Y36 VanDerWaalsContact O-CE2 3.26Å; L34-Y36 WeakPolarHBondContact O-CE2 3Å
35	V	44	Very low	34.6	Very low	22 Å²	22	128.1 Å²	128.1	13%	0.133	64%	0.638	C	S	.	*	P	Polyproline II helix	trans	-86.2	129.7	169.4	170.2	0	0	0	0	107.8	P37 I94	V35-P37 WeakPolarHBondContact O-CD 3.5Å; V35-I94 HydrophobicContact CG1-CB 4.41Å; V35-I94 HydrophobicContact CG1-CG2 3.68Å; V35-I94 HydrophobicContact CG2-CG2 4.41Å
36	Y	45.1	Very low	36.8	Very low	63 Å²	63	125.9 Å²	125.9	25%	0.247	62%	0.622	C	S	.	*	P	Polyproline II helix	trans	-103.9	123.6	-177.3	-57.9	-85.4	0	0	0	112.6	L34 E108 N112	L34-Y36 HydrophobicContact CB-CE1 4.41Å; L34-Y36 HydrophobicContact CB-CE2 4.48Å; L34-Y36 VanDerWaalsContact O-CE2 3.26Å; L34-Y36 WeakPolarHBondContact O-CE2 3Å; Y36-E108 PolarHBondContact OH-OE1 2.88Å; Y36-N112 HydrophobicContact CD1-CB 3.82Å; Y36-N112 HydrophobicContact CE1-CB 3.68Å
37	P	42.6	Very low	39.5	Very low	55 Å²	55	126.2 Å²	126.2	36%	0.357	62%	0.621	S	S	.	*			trans	-93.8	113.7	170.5	27.8	-27.5	0	0	0	113.7	V35 K92	V35-P37 WeakPolarHBondContact O-CD 3.5Å; P37-K92 HydrophobicContact CB-CB 4.29Å; P37-K92 HydrophobicContact CB-CD 3.4Å; P37-K92 VanDerWaalsContact CB-CD 3.4Å; P37-K92 PolarHBondContact O-NZ 3.46Å
38	Q	37.6	Very low	42.7	Very low	125 Å²	125	121.4 Å²	121.4	58%	0.584	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-94.3	167.9	176.1	-67.1	-154.4	-0.5	0	0	116.1	K92	Q38-K92 WeakPolarHBondContact O-CD 3.05Å; Q38-K92 WeakPolarHBondContact O-CE 3.02Å; Q38-K92 PolarHBondContact O-NZ 3.37Å; Q38-K92 VanDerWaalsContact O-NZ 3.08Å
39	N	37.3	Very low	46.1	Very low	143 Å²	143	116.9 Å²	116.9	77%	0.765	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-49.5	168.7	-152	-80.2	-36	0	0	0	123.2
40	F	34.9	Very low	49.5	Very low	187 Å²	187	113.2 Å²	113.2	82%	0.82	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-73.9	137.8	-164.4	-72.4	-95.1	0	0	0	117.7
41	Q	37.9	Very low	53	Low	185 Å²	185	108.3 Å²	108.3	86%	0.864	53%	0.528	S	S	*	.			trans	-144.6	155.5	161.7	-76.6	-166.8	-7.9	0	0	115.3
42	K	35.7	Very low	56.4	Low	204 Å²	204	102.6 Å²	102.6	89%	0.887	50%	0.497	S	S	*	.			trans	-61.8	166.1	-164.6	-83.8	176.2	175.5	174.2	0	117.5	S44 K91	K42-S44 PolarHBondContact O-N 3.08Å; K42-K91 PolarHBondContact O-NZ 2.7Å
43	R	37.5	Very low	59.7	Low	250 Å²	250	101.9 Å²	101.9	94%	0.943	48%	0.483	S	S	*	.			trans	-61.2	115.5	-170.9	-71	177.4	176.9	174.5	-1.7	114.7
44	S	46.8	Very low	62.6	Low	91 Å²	91	99.3 Å²	99.3	64%	0.636	47%	0.472	S	S	*	.			trans	-139	159.3	156.5	67.2	0	0	0	0	106.9	K42 I46	K42-S44 PolarHBondContact O-N 3.08Å; S44-I46 PolarHBondContact O-N 2.95Å
45	F	58.7	Low	65.5	Low	215 Å²	215	95 Å²	95	94%	0.943	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-53.7	119.5	179.8	-102.4	-97.9	0	0	0	110.9
46	I	70.2	Confident	67.9	Low	56 Å²	56	95 Å²	95	29%	0.287	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-85.1	119.8	171.8	-55.7	174.6	0	0	0	106.6	S44 K48 K91	S44-I46 PolarHBondContact O-N 2.95Å; I46-K48 PolarHBondContact O-N 2.88Å; I46-K91 HydrophobicContact CD1-CD 4.14Å; I46-K91 HydrophobicContact CD1-CG 3.39Å; I46-K91 HydrophobicContact CG1-CD 4.29Å; I46-K91 HydrophobicContact CG1-CG 3.81Å
47	N	81	Confident	70	Confident	108 Å²	108	92.2 Å²	92.2	58%	0.578	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-66.6	117.6	170.9	-173.7	1.4	0	0	0	108.9	Q49 N161	N47-Q49 WeakPolarHBondContact OD1-CB 3.45Å; N47-Q49 PolarHBondContact OD1-N 3.03Å; N47-N161 WeakPolarHBondContact O-CB 3.27Å
48	K	89.9	Confident	72.3	Confident	62 Å²	62	95.1 Å²	95.1	27%	0.27	45%	0.446	S	S	.	.			trans	-97.1	-8.2	179.5	-70.8	-171.5	171.2	-166.9	0	113.2	I46 L50 K85 V86 N89	I46-K48 PolarHBondContact O-N 2.88Å; K48-L50 PolarHBondContact O-N 3.15Å; K48-K85 CarbonylContact O-C 3.48Å; K48-K85 WeakPolarHBondContact O-CA 2.85Å; K48-V86 PolarHBondContact O-N 2.89Å; K48-N89 VanDerWaalsContact CE-OD1 3.31Å; K48-N89 WeakPolarHBondContact CE-OD1 3.44Å; K48-N89 PolarHBondContact NZ-OD1 2.75Å
49	Q	95.3	Very high	74.6	Confident	60 Å²	60	93.6 Å²	93.6	28%	0.28	44%	0.442	S	S	.	.	B	Isolated β-bridge	trans	-60.1	128.7	179.8	-162.1	64.8	53.6	0	0	109.5	N47 Q51 E81 L84 N161	N47-Q49 WeakPolarHBondContact OD1-CB 3.45Å; N47-Q49 PolarHBondContact OD1-N 3.03Å; Q49-Q51 PolarHBondContact O-N 3.19Å; Q49-E81 PolarHBondContact NE2-O 2.81Å; Q49-L84 PolarHBondContact NE2-O 3.08Å; Q49-L84 VanDerWaalsContact NE2-O 3.07Å; Q49-N161 WeakPolarHBondContact O-CB 3.41Å; Q49-N161 PolarHBondContact O-ND2 2.95Å
50	L	96.6	Very high	77	Confident	3 Å²	3	87.1 Å²	87.1	2%	0.016	41%	0.407	C	S	.	.			trans	-56.2	136.3	174	175.4	66.8	0	0	0	108.9	K48 I52 W80 E81 L84 V86 L163 L226	K48-L50 PolarHBondContact O-N 3.15Å; L50-I52 HydrophobicContact CD2-CD1 4.2Å; L50-I52 HydrophobicContact CD2-CG1 4.24Å; L50-I52 HydrophobicContact CG-CG1 4.21Å; L50-W80 HydrophobicContact CD2-CB 4.38Å; L50-E81 WeakPolarHBondContact O-CG 3.44Å; L50-L84 HydrophobicContact CB-CB 4.34Å; L50-L84 WeakPolarHBondContact CB-O 3.46Å; L50-L84 HydrophobicContact CD2-CB 4Å; L50-L84 HydrophobicContact CD2-CD1 4.22Å; L50-L84 PolarHBondContact N-O 3.09Å; L50-V86 HydrophobicContact CB-CG2 4.42Å; L50-V86 HydrophobicContact CD1-CG2 4.13Å; L50-L163 HydrophobicContact CD1-CB 4.25Å; L50-L226 HydrophobicContact CD1-CD2 4.43Å; L50-L226 HydrophobicContact CD2-CD2 3.67Å
51	Q	96.6	Very high	79.7	Confident	75 Å²	75	82.3 Å²	82.3	35%	0.35	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123.5	172.3	-178.1	179	13.8	0	0	109.1	Q49 I53 E81 N161 Q162 L163	Q49-Q51 PolarHBondContact O-N 3.19Å; Q51-I53 HydrophobicContact CG-CD1 3.97Å; Q51-E81 WeakPolarHBondContact CA-OE1 3.3Å; Q51-N161 PolarHBondContact N-O 3.32Å; Q51-Q162 HydrophobicContact CB-CG 3.86Å; Q51-Q162 HydrophobicContact CG-CG 4.12Å; Q51-Q162 CarbonylContact O-C 3.52Å; Q51-Q162 WeakPolarHBondContact O-CA 3.49Å; Q51-L163 PolarHBondContact O-N 3.14Å
52	I	98.2	Very high	82.1	Confident	12 Å²	12	81 Å²	81	6%	0.062	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.4	179.9	-63.7	173	0	0	0	108.1	L50 L54 S77 W80 E81 L163 I165 T222	L50-I52 HydrophobicContact CD2-CD1 4.2Å; L50-I52 HydrophobicContact CD2-CG1 4.24Å; L50-I52 HydrophobicContact CG-CG1 4.21Å; I52-L54 HydrophobicContact CG2-CD2 3.8Å; I52-L54 HydrophobicContact CG2-CG 4.37Å; I52-S77 WeakPolarHBondContact CG2-OG 3.45Å; I52-W80 HydrophobicContact CD1-CB 3.95Å; I52-E81 HydrophobicContact CB-CG 4.28Å; I52-E81 HydrophobicContact CD1-CG 4.32Å; I52-E81 HydrophobicContact CG1-CG 4.09Å; I52-E81 PolarHBondContact N-OE1 3.48Å; I52-L163 WeakPolarHBondContact CA-O 3.33Å; I52-L163 HydrophobicContact CG1-CB 4.45Å; I52-L163 HydrophobicContact CG1-CD2 4.34Å; I52-I165 HydrophobicContact CG2-CD1 3.69Å; I52-I165 HydrophobicContact CG2-CG1 4.06Å; I52-T222 HydrophobicContact CD1-CG2 3.98Å
53	I	97.5	Very high	84.6	Confident	28 Å²	28	73 Å²	73	14%	0.144	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.5	176.7	-54	-56.9	0	0	0	107.7	Q51 Y136 L158 Q162 L163 L164 I165	Q51-I53 HydrophobicContact CG-CD1 3.97Å; I53-Y136 HydrophobicContact CG2-CE2 4.26Å; I53-Y136 WeakPolarHBondContact CG2-OH 3.21Å; I53-L158 HydrophobicContact CG1-CD1 4.32Å; I53-Q162 HydrophobicContact CG1-CB 4.46Å; I53-Q162 HydrophobicContact CG1-CG 4.39Å; I53-L163 PolarHBondContact N-O 3.16Å; I53-L164 HydrophobicContact CB-CD1 3.89Å; I53-L164 HydrophobicContact CG2-CD1 3.66Å; I53-I165 PolarHBondContact O-N 3.11Å
54	L	97.1	Very high	87.1	Confident	31 Å²	31	68.7 Å²	68.7	16%	0.162	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.7	178.7	-56.7	175.9	0	0	0	109.9	I52 Y56 M73 N74 I165 V167	I52-L54 HydrophobicContact CG2-CD2 3.8Å; I52-L54 HydrophobicContact CG2-CG 4.37Å; L54-Y56 HydrophobicContact CB-CE2 3.79Å; L54-Y56 WeakPolarHBondContact CD1-OH 3.28Å; L54-M73 HydrophobicContact CD1-CB 3.76Å; L54-M73 HydrophobicContact CD2-CE 3.55Å; L54-N74 WeakPolarHBondContact CD1-OD1 3.4Å; L54-I165 HydrophobicContact CD2-CB 3.96Å; L54-I165 HydrophobicContact CD2-CG2 4.42Å; L54-V167 HydrophobicContact CD2-CG2 4.38Å
55	V	95.3	Very high	89.2	Confident	20 Å²	20	65.7 Å²	65.7	12%	0.121	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	121.4	171.8	173.6	0	0	0	0	108	V130 P133 L164 I165 V166 V167	V55-V130 HydrophobicContact CG1-CG1 3.99Å; V55-P133 HydrophobicContact CG2-CG 3.94Å; V55-L164 HydrophobicContact CB-CD1 4.43Å; V55-L164 HydrophobicContact CG2-CD1 3.63Å; V55-I165 PolarHBondContact N-O 3.19Å; V55-V166 CarbonylContact O-C 3.53Å; V55-V166 WeakPolarHBondContact O-CA 3.34Å; V55-V167 PolarHBondContact O-N 2.97Å
56	Y	93.4	Very high	90.8	Very high	21 Å²	21	56.8 Å²	56.8	8%	0.082	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	140.5	-176.1	-60	-89.7	0	0	0	111.1	L54 L60 K61 F66 I69 M73 V167	L54-Y56 HydrophobicContact CB-CE2 3.79Å; L54-Y56 WeakPolarHBondContact CD1-OH 3.28Å; Y56-L60 HydrophobicContact CD1-CD2 4.36Å; Y56-K61 WeakPolarHBondContact O-CE 3.23Å; Y56-F66 AromaticContact CD1-CE2 3.63Å; Y56-F66 HydrophobicContact CD1-CE2 3.63Å; Y56-F66 HydrophobicContact CD1-CZ 4.36Å; Y56-F66 HydrophobicContact CD2-CE2 4.29Å; Y56-F66 HydrophobicContact CD2-CZ 4.24Å; Y56-F66 HydrophobicContact CE1-CE2 4.13Å; Y56-F66 AromaticContact CG-CE2 3.71Å; Y56-F66 HydrophobicContact CG-CE2 3.71Å; Y56-F66 HydrophobicContact CG-CZ 4.1Å; Y56-I69 HydrophobicContact CE1-CG2 4.35Å; Y56-M73 HydrophobicContact CE1-CG 4.5Å; Y56-V167 WeakPolarHBondContact CA-O 3.26Å; Y56-V167 HydrophobicContact CD1-CB 3.55Å; Y56-V167 HydrophobicContact CD1-CG1 3.71Å; Y56-V167 HydrophobicContact CD1-CG2 4.07Å; Y56-V167 HydrophobicContact CE1-CB 3.9Å; Y56-V167 HydrophobicContact CE1-CG1 3.84Å; Y56-V167 HydrophobicContact CE1-CG2 3.98Å; Y56-V167 HydrophobicContact CG-CB 4.31Å
57	D	90.3	Very high	92	Very high	6 Å²	6	58.2 Å²	58.2	3%	0.032	29%	0.287	C	S	.	.			trans	-55.3	137.3	166.6	-169	-46.4	0	0	0	110.8	N59 L60 K61 V130 V167 T168 K172	D57-N59 VanDerWaalsContact C-N 3.28Å; D57-N59 PolarHBondContact O-N 2.85Å; D57-N59 WeakPolarHBondContact OD1-CB 3.49Å; D57-N59 PolarHBondContact OD1-N 2.92Å; D57-L60 HydrophobicContact CB-CB 3.93Å; D57-L60 WeakPolarHBondContact O-CB 3.07Å; D57-L60 PolarHBondContact O-N 3.2Å; D57-L60 VanDerWaalsContact O-N 3.12Å; D57-K61 WeakPolarHBondContact O-CG 3.44Å; D57-K61 PolarHBondContact O-N 3.17Å; D57-V130 HydrophobicContact CB-CG2 3.87Å; D57-V167 PolarHBondContact N-O 2.66Å; D57-T168 PolarHBondContact OD2-OG1 3.47Å; D57-K172 IonicContact OD1-NZ 3.48Å; D57-K172 WeakPolarHBondContact OD2-CE 3.46Å; D57-K172 IonicContact OD2-NZ 3.88Å; D57-K172 PolarHBondContact OD2-NZ 3.36Å
58	E	89.7	Confident	92.6	Very high	115 Å²	115	54.6 Å²	54.6	54%	0.537	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-33.4	179.4	-61.8	-56.7	151.1	0	0	112.6	L60 K61 Q62	E58-L60 VanDerWaalsContact C-N 3.32Å; E58-K61 PolarHBondContact O-N 3.35Å; E58-K61 IonicContact OE1-NZ 3.46Å; E58-K61 PolarHBondContact OE1-NZ 3.42Å; E58-K61 WeakPolarHBondContact OE2-CD 3.36Å; E58-K61 IonicContact OE2-NZ 2.8Å; E58-K61 PolarHBondContact OE2-NZ 2.82Å; E58-Q62 PolarHBondContact O-N 3.36Å
59	N	87.2	Confident	92.8	Very high	93 Å²	93	51.7 Å²	51.7	50%	0.497	25%	0.254	S	S	.	.	H	α-helix	trans	-67.4	-38.2	174.4	-66.3	-20	0	0	0	110.7	D57 K61 Q62 N63	D57-N59 VanDerWaalsContact C-N 3.28Å; D57-N59 PolarHBondContact O-N 2.85Å; D57-N59 WeakPolarHBondContact OD1-CB 3.49Å; D57-N59 PolarHBondContact OD1-N 2.92Å; N59-K61 VanDerWaalsContact C-N 3.3Å; N59-K61 PolarHBondContact O-N 3.41Å; N59-Q62 PolarHBondContact O-N 3.29Å; N59-N63 PolarHBondContact O-N 3.08Å
60	L	87.5	Confident	92.8	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-66.8	-33.6	177.3	-167.9	64.7	0	0	0	111.4	Y56 D57 E58 Q62 N63 F66 I69 V167 Y199	Y56-L60 HydrophobicContact CD1-CD2 4.36Å; D57-L60 HydrophobicContact CB-CB 3.93Å; D57-L60 WeakPolarHBondContact O-CB 3.07Å; D57-L60 PolarHBondContact O-N 3.2Å; D57-L60 VanDerWaalsContact O-N 3.12Å; E58-L60 VanDerWaalsContact C-N 3.32Å; L60-Q62 PolarHBondContact O-N 2.92Å; L60-N63 VanDerWaalsContact O-CB 3.26Å; L60-N63 WeakPolarHBondContact O-CB 3.42Å; L60-N63 PolarHBondContact O-N 2.82Å; L60-F66 HydrophobicContact CG-CD2 4.43Å; L60-F66 WeakPolarHBondContact O-CB 3.35Å; L60-F66 WeakPolarHBondContact O-CD2 3.37Å; L60-I69 HydrophobicContact CD1-CD1 3.7Å; L60-I69 HydrophobicContact CD2-CG2 4.37Å; L60-I69 HydrophobicContact CG-CD1 4.22Å; L60-V167 HydrophobicContact CD2-CG1 3.81Å; L60-Y199 HydrophobicContact CD2-CD2 4.12Å
61	K	90.9	Very high	92.8	Very high	87 Å²	87	57.9 Å²	57.9	38%	0.378	28%	0.281	S	S	.	.	H	α-helix	trans	-65.3	-24.8	174.3	-66.7	178.6	-161.9	164.6	0	113.7	Y56 D57 E58 N59 F66	Y56-K61 WeakPolarHBondContact O-CE 3.23Å; D57-K61 WeakPolarHBondContact O-CG 3.44Å; D57-K61 PolarHBondContact O-N 3.17Å; E58-K61 PolarHBondContact O-N 3.35Å; E58-K61 IonicContact OE1-NZ 3.46Å; E58-K61 PolarHBondContact OE1-NZ 3.42Å; E58-K61 WeakPolarHBondContact OE2-CD 3.36Å; E58-K61 IonicContact OE2-NZ 2.8Å; E58-K61 PolarHBondContact OE2-NZ 2.82Å; N59-K61 VanDerWaalsContact C-N 3.3Å; N59-K61 PolarHBondContact O-N 3.41Å; K61-F66 HydrophobicContact CB-CE2 4.43Å; K61-F66 HydrophobicContact CB-CZ 4.45Å; K61-F66 HydrophobicContact CG-CD2 4.38Å; K61-F66 HydrophobicContact CG-CE1 4.28Å; K61-F66 HydrophobicContact CG-CE2 3.83Å; K61-F66 HydrophobicContact CG-CZ 3.78Å
62	Q	89.7	Confident	92.8	Very high	158 Å²	158	54.5 Å²	54.5	74%	0.738	27%	0.266	S	S	*	.	H	α-helix	trans	-85.1	-12	177.3	-64.8	174.7	23.5	0	0	112.7	E58 N59 L60	E58-Q62 PolarHBondContact O-N 3.36Å; N59-Q62 PolarHBondContact O-N 3.29Å; L60-Q62 PolarHBondContact O-N 2.92Å
63	N	87.2	Confident	92.8	Very high	36 Å²	36	53.9 Å²	53.9	19%	0.193	26%	0.263	C	S	.	.	S	Bend	trans	-69.1	138.5	178.8	-173.6	-82.7	0	0	0	111.3	N59 L60 M65 F66 E203	N59-N63 PolarHBondContact O-N 3.08Å; L60-N63 VanDerWaalsContact O-CB 3.26Å; L60-N63 WeakPolarHBondContact O-CB 3.42Å; L60-N63 PolarHBondContact O-N 2.82Å; N63-M65 PolarHBondContact O-N 2.89Å; N63-M65 WeakPolarHBondContact OD1-CA 3.41Å; N63-M65 WeakPolarHBondContact OD1-CB 3.47Å; N63-M65 PolarHBondContact OD1-N 2.89Å; N63-F66 WeakPolarHBondContact O-CB 3.35Å; N63-F66 PolarHBondContact O-N 3.15Å; N63-E203 PolarHBondContact ND2-OE1 2.95Å
64	E	90.4	Very high	92.8	Very high	158 Å²	158	56.4 Å²	56.4	74%	0.738	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-29	-178.6	-65.7	-167.5	167	0	0	112.8	F66 P67	E64-F66 VanDerWaalsContact C-N 3.3Å; E64-F66 PolarHBondContact O-N 3.38Å; E64-P67 WeakPolarHBondContact O-CD 3.26Å
65	M	90.6	Very high	92.8	Very high	29 Å²	29	57.2 Å²	57.2	14%	0.143	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	0.2	178.4	-56.3	-58.4	-60.3	0	0	113.3	N63 P67 K68 I69 E203 L206 Q207	N63-M65 PolarHBondContact O-N 2.89Å; N63-M65 WeakPolarHBondContact OD1-CA 3.41Å; N63-M65 WeakPolarHBondContact OD1-CB 3.47Å; N63-M65 PolarHBondContact OD1-N 2.89Å; M65-P67 VanDerWaalsContact C-CD 3.48Å; M65-K68 HydrophobicContact CE-CB 4.26Å; M65-K68 HydrophobicContact CE-CD 3.36Å; M65-K68 HydrophobicContact CE-CG 4.48Å; M65-K68 WeakPolarHBondContact O-CB 3.45Å; M65-K68 PolarHBondContact O-N 2.87Å; M65-I69 WeakPolarHBondContact O-CG1 3.37Å; M65-I69 PolarHBondContact O-N 3.28Å; M65-I69 VanDerWaalsContact O-N 3.08Å; M65-E203 HydrophobicContact CG-CB 4.29Å; M65-E203 HydrophobicContact CG-CG 4.34Å; M65-L206 HydrophobicContact CB-CB 4.16Å; M65-L206 HydrophobicContact CB-CD1 3.95Å; M65-L206 HydrophobicContact CE-CB 4.17Å; M65-L206 HydrophobicContact CG-CB 3.91Å; M65-L206 HydrophobicContact CG-CD1 4.27Å; M65-Q207 HydrophobicContact CE-CB 4.2Å; M65-Q207 HydrophobicContact SD-CB 4.35Å
66	F	93.1	Very high	93	Very high	27 Å²	27	56.3 Å²	56.3	12%	0.118	28%	0.279	C	S	.	.	H	α-helix	trans	-52.2	-44.6	179.9	179.6	-109.4	0	0	0	114.4	Y56 L60 K61 N63 E64 K68 I69 Q70	Y56-F66 AromaticContact CD1-CE2 3.63Å; Y56-F66 HydrophobicContact CD1-CE2 3.63Å; Y56-F66 HydrophobicContact CD1-CZ 4.36Å; Y56-F66 HydrophobicContact CD2-CE2 4.29Å; Y56-F66 HydrophobicContact CD2-CZ 4.24Å; Y56-F66 HydrophobicContact CE1-CE2 4.13Å; Y56-F66 AromaticContact CG-CE2 3.71Å; Y56-F66 HydrophobicContact CG-CE2 3.71Å; Y56-F66 HydrophobicContact CG-CZ 4.1Å; L60-F66 HydrophobicContact CG-CD2 4.43Å; L60-F66 WeakPolarHBondContact O-CB 3.35Å; L60-F66 WeakPolarHBondContact O-CD2 3.37Å; K61-F66 HydrophobicContact CB-CE2 4.43Å; K61-F66 HydrophobicContact CB-CZ 4.45Å; K61-F66 HydrophobicContact CG-CD2 4.38Å; K61-F66 HydrophobicContact CG-CE1 4.28Å; K61-F66 HydrophobicContact CG-CE2 3.83Å; K61-F66 HydrophobicContact CG-CZ 3.78Å; N63-F66 WeakPolarHBondContact O-CB 3.35Å; N63-F66 PolarHBondContact O-N 3.15Å; E64-F66 VanDerWaalsContact C-N 3.3Å; E64-F66 PolarHBondContact O-N 3.38Å; F66-K68 PolarHBondContact O-N 2.89Å; F66-I69 WeakPolarHBondContact O-CB 3.49Å; F66-I69 PolarHBondContact O-N 3.34Å; F66-Q70 HydrophobicContact CE1-CB 4.43Å; F66-Q70 HydrophobicContact CZ-CB 4.29Å; F66-Q70 WeakPolarHBondContact O-CB 3.38Å; F66-Q70 PolarHBondContact O-N 3.05Å
67	P	95	Very high	93.2	Very high	86 Å²	86	55.5 Å²	55.5	56%	0.558	28%	0.277	S	S	*	.	H	α-helix	trans	-59.1	-35.2	178.1	-25	36.1	0	0	0	112.9	E64 M65 K71	E64-P67 WeakPolarHBondContact O-CD 3.26Å; M65-P67 VanDerWaalsContact C-CD 3.48Å; P67-K71 VanDerWaalsContact O-CB 3.32Å; P67-K71 WeakPolarHBondContact O-CB 3.36Å; P67-K71 PolarHBondContact O-N 3.39Å
68	K	93.4	Very high	93.6	Very high	33 Å²	33	57 Å²	57	14%	0.143	29%	0.288	C	S	.	.	H	α-helix	trans	-70.1	-46.1	177.6	-166.8	-176.3	-173.6	170	0	111.3	M65 F66 Q70 K71 A72 L206 Q207 I209 D211 F214	M65-K68 HydrophobicContact CE-CB 4.26Å; M65-K68 HydrophobicContact CE-CD 3.36Å; M65-K68 HydrophobicContact CE-CG 4.48Å; M65-K68 WeakPolarHBondContact O-CB 3.45Å; M65-K68 PolarHBondContact O-N 2.87Å; F66-K68 PolarHBondContact O-N 2.89Å; K68-Q70 VanDerWaalsContact C-N 3.33Å; K68-Q70 PolarHBondContact O-N 3.35Å; K68-K71 PolarHBondContact O-N 2.9Å; K68-A72 PolarHBondContact O-N 2.97Å; K68-L206 PolarHBondContact NZ-O 3.18Å; K68-Q207 PolarHBondContact NZ-O 3.01Å; K68-I209 VanDerWaalsContact CE-O 3.26Å; K68-I209 WeakPolarHBondContact CE-O 3.25Å; K68-I209 PolarHBondContact NZ-O 3.43Å; K68-D211 WeakPolarHBondContact CE-OD1 3.35Å; K68-F214 HydrophobicContact CD-CD1 4.14Å; K68-F214 HydrophobicContact CD-CE1 4.48Å; K68-F214 HydrophobicContact CG-CD1 3.89Å; K68-F214 HydrophobicContact CG-CE1 4.17Å
69	I	93.1	Very high	94	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.8	-48.7	174.1	-64.3	172.3	0	0	0	110.4	Y56 L60 M65 F66 K71 A72 M73 V167 Y199 L206 F214	Y56-I69 HydrophobicContact CE1-CG2 4.35Å; L60-I69 HydrophobicContact CD1-CD1 3.7Å; L60-I69 HydrophobicContact CD2-CG2 4.37Å; L60-I69 HydrophobicContact CG-CD1 4.22Å; M65-I69 WeakPolarHBondContact O-CG1 3.37Å; M65-I69 PolarHBondContact O-N 3.28Å; M65-I69 VanDerWaalsContact O-N 3.08Å; F66-I69 WeakPolarHBondContact O-CB 3.49Å; F66-I69 PolarHBondContact O-N 3.34Å; I69-K71 PolarHBondContact O-N 3.28Å; I69-A72 PolarHBondContact O-N 3.2Å; I69-M73 WeakPolarHBondContact O-CB 3.46Å; I69-M73 WeakPolarHBondContact O-CG 3.26Å; I69-M73 PolarHBondContact O-N 3.35Å; I69-V167 HydrophobicContact CG2-CG1 4.45Å; I69-Y199 HydrophobicContact CG1-CE1 4.49Å; I69-Y199 HydrophobicContact CG2-CE1 4.47Å; I69-Y199 HydrophobicContact CG2-CE2 3.72Å; I69-L206 HydrophobicContact CD1-CD1 4.21Å; I69-F214 HydrophobicContact CB-CE1 4.4Å; I69-F214 HydrophobicContact CB-CZ 4.31Å; I69-F214 HydrophobicContact CG1-CE1 3.89Å; I69-F214 HydrophobicContact CG1-CZ 3.84Å
70	Q	96.1	Very high	94.6	Very high	78 Å²	78	48.4 Å²	48.4	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-62.1	-44.4	-179.9	-174.3	178	50.8	0	0	111.6	F66 K68 N74	F66-Q70 HydrophobicContact CE1-CB 4.43Å; F66-Q70 HydrophobicContact CZ-CB 4.29Å; F66-Q70 WeakPolarHBondContact O-CB 3.38Å; F66-Q70 PolarHBondContact O-N 3.05Å; K68-Q70 VanDerWaalsContact C-N 3.33Å; K68-Q70 PolarHBondContact O-N 3.35Å; Q70-N74 VanDerWaalsContact O-CB 3.3Å; Q70-N74 WeakPolarHBondContact O-CB 3.48Å; Q70-N74 VanDerWaalsContact O-CG 3.23Å; Q70-N74 PolarHBondContact O-N 3.45Å; Q70-N74 PolarHBondContact O-ND2 3.12Å; Q70-N74 VanDerWaalsContact O-ND2 3.16Å
71	K	97.1	Very high	95.1	Very high	115 Å²	115	50.5 Å²	50.5	50%	0.5	25%	0.253	S	S	.	.	H	α-helix	trans	-60.4	-48.1	176.3	-178.1	-176.7	175.2	-172.4	0	111.7	P67 K68 I69 N74 S75 D211	P67-K71 VanDerWaalsContact O-CB 3.32Å; P67-K71 WeakPolarHBondContact O-CB 3.36Å; P67-K71 PolarHBondContact O-N 3.39Å; K68-K71 PolarHBondContact O-N 2.9Å; I69-K71 PolarHBondContact O-N 3.28Å; K71-N74 PolarHBondContact O-N 2.5Å; K71-S75 WeakPolarHBondContact O-CB 3.38Å; K71-S75 PolarHBondContact O-N 3.18Å; K71-S75 PolarHBondContact O-OG 2.83Å; K71-D211 IonicContact NZ-OD2 3.76Å; K71-D211 PolarHBondContact NZ-OD2 3.48Å
72	A	96.1	Very high	95.4	Very high	4 Å²	4	52.2 Å²	52.2	3%	0.033	26%	0.261	C	S	.	.	H	α-helix	trans	-61.4	-50.2	-180	0	0	0	0	0	111.7	K68 I69 N74 S75 A76 F214 M218	K68-A72 PolarHBondContact O-N 2.97Å; I69-A72 PolarHBondContact O-N 3.2Å; A72-N74 PolarHBondContact O-N 3Å; A72-S75 PolarHBondContact O-N 3.36Å; A72-A76 WeakPolarHBondContact O-CB 3.49Å; A72-A76 PolarHBondContact O-N 3.23Å; A72-F214 HydrophobicContact CB-CB 4.22Å; A72-F214 HydrophobicContact CB-CD1 3.89Å; A72-F214 HydrophobicContact CB-CD2 3.96Å; A72-F214 HydrophobicContact CB-CE1 4.2Å; A72-F214 HydrophobicContact CB-CE2 4.22Å; A72-F214 HydrophobicContact CB-CG 3.75Å; A72-F214 HydrophobicContact CB-CZ 4.33Å; A72-M218 HydrophobicContact CB-CG 3.85Å
73	M	97.5	Very high	95.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.2	-43.3	178.4	-75.4	-59.1	-56.6	0	0	113	L54 Y56 I69 S75 S77 I165 V167 I197 M218	L54-M73 HydrophobicContact CD1-CB 3.76Å; L54-M73 HydrophobicContact CD2-CE 3.55Å; Y56-M73 HydrophobicContact CE1-CG 4.5Å; I69-M73 WeakPolarHBondContact O-CB 3.46Å; I69-M73 WeakPolarHBondContact O-CG 3.26Å; I69-M73 PolarHBondContact O-N 3.35Å; M73-S75 VanDerWaalsContact C-N 3.32Å; M73-S75 PolarHBondContact O-N 3.19Å; M73-S77 WeakPolarHBondContact O-CB 3.15Å; M73-S77 PolarHBondContact O-N 2.65Å; M73-S77 PolarHBondContact O-OG 2.97Å; M73-I165 HydrophobicContact CE-CG2 4.23Å; M73-V167 HydrophobicContact CE-CG2 4.15Å; M73-I197 HydrophobicContact CE-CG1 3.95Å; M73-I197 HydrophobicContact SD-CG1 4.22Å; M73-I197 HydrophobicContact SD-CG2 4.45Å; M73-M218 HydrophobicContact CG-CG 4.32Å; M73-M218 HydrophobicContact CG-SD 4.29Å; M73-M218 HydrophobicContact SD-CB 4.06Å; M73-M218 HydrophobicContact SD-CG 3.7Å; M73-M218 HydrophobicContact SD-SD 3.31Å
74	N	98.3	Very high	96.4	Very high	80 Å²	80	43.1 Å²	43.1	43%	0.428	22%	0.217	S	C	.	.	H	α-helix	trans	-63.8	-39.6	177.5	-77.7	-28.8	0	0	0	111.8	L54 Q70 K71 A72 S78	L54-N74 WeakPolarHBondContact CD1-OD1 3.4Å; Q70-N74 VanDerWaalsContact O-CB 3.3Å; Q70-N74 WeakPolarHBondContact O-CB 3.48Å; Q70-N74 VanDerWaalsContact O-CG 3.23Å; Q70-N74 PolarHBondContact O-N 3.45Å; Q70-N74 PolarHBondContact O-ND2 3.12Å; Q70-N74 VanDerWaalsContact O-ND2 3.16Å; K71-N74 PolarHBondContact O-N 2.5Å; A72-N74 PolarHBondContact O-N 3Å; N74-S78 WeakPolarHBondContact O-CB 3.26Å; N74-S78 PolarHBondContact O-N 3.27Å
75	S	98	Very high	96.7	Very high	49 Å²	49	39.9 Å²	39.9	34%	0.343	20%	0.201	S	C	.	.	H	α-helix	trans	-68.7	-46.5	-179.4	-55.3	0	0	0	0	110.8	K71 A72 M73 S78 Y79	K71-S75 WeakPolarHBondContact O-CB 3.38Å; K71-S75 PolarHBondContact O-N 3.18Å; K71-S75 PolarHBondContact O-OG 2.83Å; A72-S75 PolarHBondContact O-N 3.36Å; M73-S75 VanDerWaalsContact C-N 3.32Å; M73-S75 PolarHBondContact O-N 3.19Å; S75-S78 PolarHBondContact O-N 3.48Å; S75-Y79 PolarHBondContact O-N 3.2Å; S75-Y79 VanDerWaalsContact O-N 3.07Å
76	A	98.1	Very high	96.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-42.9	175.3	0	0	0	0	0	112.2	A72 Y79 W80 F215 M218 Q219	A72-A76 WeakPolarHBondContact O-CB 3.49Å; A72-A76 PolarHBondContact O-N 3.23Å; A76-Y79 WeakPolarHBondContact O-CB 3.42Å; A76-Y79 PolarHBondContact O-N 3.07Å; A76-W80 VanDerWaalsContact O-CD1 3.27Å; A76-W80 PolarHBondContact O-N 3.2Å; A76-W80 VanDerWaalsContact O-N 3.16Å; A76-F215 HydrophobicContact CB-CD2 4.35Å; A76-M218 HydrophobicContact CB-CB 3.55Å; A76-Q219 HydrophobicContact CB-CG 3.87Å
77	S	98.6	Very high	96.7	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.028	20%	0.2	C	C	.	.	H	α-helix	trans	-60.6	-48.3	175.8	-61.8	0	0	0	0	110.9	I52 M73 Y79 W80 E81	I52-S77 WeakPolarHBondContact CG2-OG 3.45Å; M73-S77 WeakPolarHBondContact O-CB 3.15Å; M73-S77 PolarHBondContact O-N 2.65Å; M73-S77 PolarHBondContact O-OG 2.97Å; S77-Y79 VanDerWaalsContact C-N 3.26Å; S77-Y79 PolarHBondContact O-N 3.28Å; S77-W80 PolarHBondContact O-N 3.19Å; S77-W80 VanDerWaalsContact O-N 3.16Å; S77-E81 WeakPolarHBondContact O-CB 3.24Å; S77-E81 VanDerWaalsContact O-CG 3.24Å; S77-E81 WeakPolarHBondContact O-CG 3.39Å; S77-E81 PolarHBondContact O-N 3.23Å
78	S	98.5	Very high	96	Very high	39 Å²	39	37.5 Å²	37.5	27%	0.273	18%	0.182	S	C	.	.	H	α-helix	trans	-60.4	-35.1	179.2	-171.1	0	0	0	0	112.9	N74 S75 K82	N74-S78 WeakPolarHBondContact O-CB 3.26Å; N74-S78 PolarHBondContact O-N 3.27Å; S75-S78 PolarHBondContact O-N 3.48Å; S78-K82 WeakPolarHBondContact O-CD 3.29Å; S78-K82 VanDerWaalsContact O-CG 3.28Å; S78-K82 WeakPolarHBondContact O-CG 3.46Å; S78-K82 PolarHBondContact O-N 2.77Å; S78-K82 WeakPolarHBondContact OG-CE 3.21Å; S78-K82 PolarHBondContact OG-NZ 2.79Å
79	Y	98.5	Very high	95	Very high	26 Å²	26	41.5 Å²	41.5	10%	0.102	21%	0.206	C	C	.	.	H	α-helix	trans	-60.7	-57	172.7	174.5	-92.7	0	0	0	110.7	S75 A76 S77 E81 K82 T83 Q219 V315 M335	S75-Y79 PolarHBondContact O-N 3.2Å; S75-Y79 VanDerWaalsContact O-N 3.07Å; A76-Y79 WeakPolarHBondContact O-CB 3.42Å; A76-Y79 PolarHBondContact O-N 3.07Å; S77-Y79 VanDerWaalsContact C-N 3.26Å; S77-Y79 PolarHBondContact O-N 3.28Å; Y79-E81 VanDerWaalsContact C-N 3.35Å; Y79-E81 PolarHBondContact O-N 2.91Å; Y79-K82 PolarHBondContact O-N 3.02Å; Y79-K82 VanDerWaalsContact O-N 3.09Å; Y79-T83 PolarHBondContact O-N 2.82Å; Y79-T83 PolarHBondContact O-OG1 3.08Å; Y79-Q219 HydrophobicContact CD1-CG 4.49Å; Y79-Q219 VanDerWaalsContact CD1-NE2 3.28Å; Y79-V315 HydrophobicContact CE1-CG1 4.47Å; Y79-V315 HydrophobicContact CE1-CG2 4.16Å; Y79-V315 VanDerWaalsContact OH-CB 3.3Å; Y79-V315 WeakPolarHBondContact OH-CB 3.39Å; Y79-V315 VanDerWaalsContact OH-CG1 3.31Å; Y79-V315 WeakPolarHBondContact OH-CG1 3.26Å; Y79-V315 WeakPolarHBondContact OH-CG2 3.36Å; Y79-M335 HydrophobicContact CD2-CE 3.77Å; Y79-M335 HydrophobicContact CE2-CB 4.42Å; Y79-M335 HydrophobicContact CE2-CE 3.82Å; Y79-M335 PolarHBondContact OH-O 2.97Å; Y79-M335 VanDerWaalsContact OH-O 3.06Å
80	W	98.6	Very high	94.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.6	-37.1	-177.6	-72.8	117.9	0	0	0	113.5	L50 I52 A76 S77 K82 T83 L84 Q219 T222 A223 L226 L304 L320 F323	L50-W80 HydrophobicContact CD2-CB 4.38Å; I52-W80 HydrophobicContact CD1-CB 3.95Å; A76-W80 VanDerWaalsContact O-CD1 3.27Å; A76-W80 PolarHBondContact O-N 3.2Å; A76-W80 VanDerWaalsContact O-N 3.16Å; S77-W80 PolarHBondContact O-N 3.19Å; S77-W80 VanDerWaalsContact O-N 3.16Å; W80-K82 PolarHBondContact O-N 3.23Å; W80-T83 HydrophobicContact CE3-CG2 4.44Å; W80-T83 HydrophobicContact CZ3-CG2 4.41Å; W80-T83 PolarHBondContact O-N 3.47Å; W80-L84 HydrophobicContact CE3-CD1 3.79Å; W80-L84 HydrophobicContact CE3-CG 4.08Å; W80-L84 HydrophobicContact CZ3-CD1 4.3Å; W80-L84 PolarHBondContact O-N 3.21Å; W80-Q219 PolarHBondContact NE1-O 3.49Å; W80-T222 HydrophobicContact CG-CG2 4.12Å; W80-A223 HydrophobicContact CH2-CB 4.17Å; W80-A223 HydrophobicContact CZ2-CB 3.6Å; W80-L226 HydrophobicContact CB-CD1 3.86Å; W80-L226 HydrophobicContact CD2-CD1 3.49Å; W80-L226 VanDerWaalsContact CD2-CD1 3.49Å; W80-L226 HydrophobicContact CE3-CD1 3.81Å; W80-L226 HydrophobicContact CG-CD1 3.52Å; W80-L304 HydrophobicContact CH2-CD2 4.34Å; W80-L304 HydrophobicContact CZ2-CD2 3.74Å; W80-L320 HydrophobicContact CH2-CD2 4.29Å; W80-L320 HydrophobicContact CZ3-CD2 3.94Å; W80-F323 HydrophobicContact CH2-CD2 4.37Å; W80-F323 AromaticContact CH2-CE2 3.58Å; W80-F323 HydrophobicContact CH2-CE2 3.58Å; W80-F323 HydrophobicContact CH2-CZ 4.14Å; W80-F323 HydrophobicContact CZ3-CD2 4.07Å; W80-F323 AromaticContact CZ3-CE2 3.66Å; W80-F323 HydrophobicContact CZ3-CE2 3.66Å; W80-F323 HydrophobicContact CZ3-CZ 4.26Å
81	E	98.4	Very high	93.1	Very high	51 Å²	51	44.5 Å²	44.5	24%	0.238	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-32	173.6	-74.5	-176.7	147.3	0	0	112.5	Q49 L50 Q51 I52 S77 Y79	Q49-E81 PolarHBondContact NE2-O 2.81Å; L50-E81 WeakPolarHBondContact O-CG 3.44Å; Q51-E81 WeakPolarHBondContact CA-OE1 3.3Å; I52-E81 HydrophobicContact CB-CG 4.28Å; I52-E81 HydrophobicContact CD1-CG 4.32Å; I52-E81 HydrophobicContact CG1-CG 4.09Å; I52-E81 PolarHBondContact N-OE1 3.48Å; S77-E81 WeakPolarHBondContact O-CB 3.24Å; S77-E81 VanDerWaalsContact O-CG 3.24Å; S77-E81 WeakPolarHBondContact O-CG 3.39Å; S77-E81 PolarHBondContact O-N 3.23Å; Y79-E81 VanDerWaalsContact C-N 3.35Å; Y79-E81 PolarHBondContact O-N 2.91Å
82	K	98.3	Very high	92.3	Very high	124 Å²	124	42 Å²	42	54%	0.539	21%	0.213	S	C	.	.	H	α-helix	trans	-78.9	-40.2	174	-70.5	165.7	-172.2	163.3	0	111.5	S78 Y79 W80 M335	S78-K82 WeakPolarHBondContact O-CD 3.29Å; S78-K82 VanDerWaalsContact O-CG 3.28Å; S78-K82 WeakPolarHBondContact O-CG 3.46Å; S78-K82 PolarHBondContact O-N 2.77Å; S78-K82 WeakPolarHBondContact OG-CE 3.21Å; S78-K82 PolarHBondContact OG-NZ 2.79Å; Y79-K82 PolarHBondContact O-N 3.02Å; Y79-K82 VanDerWaalsContact O-N 3.09Å; W80-K82 PolarHBondContact O-N 3.23Å; K82-M335 HydrophobicContact CB-CE 3.97Å; K82-M335 HydrophobicContact CB-SD 4.27Å; K82-M335 HydrophobicContact CD-CE 4.42Å
83	T	98.5	Very high	91.9	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.012	22%	0.224	C	C	.	.	H	α-helix	trans	-71.4	-34.4	-174.3	-55.6	0	0	0	0	113.6	Y79 W80 L320 V331 D332 M335	Y79-T83 PolarHBondContact O-N 2.82Å; Y79-T83 PolarHBondContact O-OG1 3.08Å; W80-T83 HydrophobicContact CE3-CG2 4.44Å; W80-T83 HydrophobicContact CZ3-CG2 4.41Å; W80-T83 PolarHBondContact O-N 3.47Å; T83-L320 HydrophobicContact CG2-CD1 4.04Å; T83-L320 HydrophobicContact CG2-CD2 3.7Å; T83-V331 HydrophobicContact CG2-CG1 4.36Å; T83-D332 PolarHBondContact O-N 2.99Å; T83-M335 HydrophobicContact CG2-CB 4Å; T83-M335 HydrophobicContact CG2-CG 4.4Å; T83-M335 WeakPolarHBondContact OG1-CB 3.41Å; T83-M335 WeakPolarHBondContact OG1-CG 3.17Å
84	L	98.1	Very high	91.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.7	-169.8	-57.8	180	0	0	0	113.3	Q49 L50 W80 L226 F323 Y329 V331	Q49-L84 PolarHBondContact NE2-O 3.08Å; Q49-L84 VanDerWaalsContact NE2-O 3.07Å; L50-L84 HydrophobicContact CB-CB 4.34Å; L50-L84 WeakPolarHBondContact CB-O 3.46Å; L50-L84 HydrophobicContact CD2-CB 4Å; L50-L84 HydrophobicContact CD2-CD1 4.22Å; L50-L84 PolarHBondContact N-O 3.09Å; W80-L84 HydrophobicContact CE3-CD1 3.79Å; W80-L84 HydrophobicContact CE3-CG 4.08Å; W80-L84 HydrophobicContact CZ3-CD1 4.3Å; W80-L84 PolarHBondContact O-N 3.21Å; L84-L226 HydrophobicContact CD1-CD1 3.87Å; L84-L226 HydrophobicContact CD1-CD2 4.22Å; L84-F323 HydrophobicContact CD1-CD1 4.35Å; L84-F323 HydrophobicContact CD1-CG 4.38Å; L84-F323 HydrophobicContact CD2-CB 4Å; L84-F323 HydrophobicContact CD2-CG 4.35Å; L84-Y329 HydrophobicContact CB-CD1 4.05Å; L84-Y329 HydrophobicContact CB-CG 4.34Å; L84-Y329 HydrophobicContact CD1-CD1 4.17Å; L84-Y329 HydrophobicContact CD1-CD2 4.36Å; L84-Y329 HydrophobicContact CD1-CE1 4.43Å; L84-Y329 HydrophobicContact CD1-CG 4.14Å; L84-Y329 HydrophobicContact CD2-CG 4.37Å; L84-V331 HydrophobicContact CD2-CB 4.36Å; L84-V331 HydrophobicContact CD2-CG1 4.2Å; L84-V331 HydrophobicContact CD2-CG2 3.77Å
85	K	96.7	Very high	91	Very high	91 Å²	91	41 Å²	41	40%	0.396	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.3	166.4	-64.9	171.8	-176.4	168.3	0	109.6	K48 Y329 E330	K48-K85 CarbonylContact O-C 3.48Å; K48-K85 WeakPolarHBondContact O-CA 2.85Å; K85-Y329 CarbonylContact O-C 3.41Å; K85-Y329 WeakPolarHBondContact O-CA 3.1Å; K85-E330 HydrophobicContact CB-CB 4.22Å; K85-E330 PolarHBondContact N-O 2.96Å; K85-E330 PolarHBondContact O-N 2.77Å
86	V	94.4	Very high	90.5	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.7	-178.1	176	0	0	0	0	110.5	K48 L50 L88 N161 Y329	K48-V86 PolarHBondContact O-N 2.89Å; L50-V86 HydrophobicContact CB-CG2 4.42Å; L50-V86 HydrophobicContact CD1-CG2 4.13Å; V86-L88 VanDerWaalsContact C-N 3.26Å; V86-L88 HydrophobicContact CG1-CB 3.77Å; V86-L88 HydrophobicContact CG1-CD1 3.77Å; V86-L88 HydrophobicContact CG1-CG 3.72Å; V86-L88 PolarHBondContact O-N 2.92Å; V86-N161 HydrophobicContact CB-CB 4.46Å; V86-N161 HydrophobicContact CG2-CB 4.42Å; V86-Y329 HydrophobicContact CG2-CD1 4.24Å; V86-Y329 HydrophobicContact CG2-CE1 4.16Å
87	K	90.5	Very high	89.9	Confident	51 Å²	51	39.4 Å²	39.4	22%	0.222	20%	0.199	C	C	.	.			trans	-74.1	-11.7	179.6	-81	177.7	169.1	164.3	0	114.7	N89 N327 M328 Y329 E330	K87-N89 PolarHBondContact O-N 3.24Å; K87-N327 WeakPolarHBondContact CD-OD1 3.42Å; K87-N327 PolarHBondContact NZ-OD1 3.47Å; K87-M328 PolarHBondContact N-O 2.8Å; K87-Y329 WeakPolarHBondContact CD-O 3.46Å; K87-Y329 WeakPolarHBondContact CE-O 3.35Å; K87-Y329 PolarHBondContact NZ-O 2.82Å; K87-Y329 VanDerWaalsContact NZ-O 3.14Å; K87-E330 HydrophobicContact CG-CG 3.87Å
88	L	80.3	Confident	89.3	Confident	38 Å²	38	40.1 Å²	40.1	20%	0.199	20%	0.201	C	C	.	.			trans	-64.5	134.3	-174.1	-63	168.7	0	0	0	112.6	V86 P190 R191	V86-L88 VanDerWaalsContact C-N 3.26Å; V86-L88 HydrophobicContact CG1-CB 3.77Å; V86-L88 HydrophobicContact CG1-CD1 3.77Å; V86-L88 HydrophobicContact CG1-CG 3.72Å; V86-L88 PolarHBondContact O-N 2.92Å; L88-P190 HydrophobicContact CD1-CG 4.31Å; L88-P190 HydrophobicContact CD2-CG 3.29Å; L88-P190 HydrophobicContact CG-CG 4.37Å; L88-R191 HydrophobicContact CD1-CG 4.12Å
89	N	72.1	Confident	88.7	Confident	118 Å²	118	40.8 Å²	40.8	63%	0.631	20%	0.2	S	C	*	.			trans	-101.2	6	173.4	-65.2	-32.1	0	0	0	112.5	K48 K87	K48-N89 VanDerWaalsContact CE-OD1 3.31Å; K48-N89 WeakPolarHBondContact CE-OD1 3.44Å; K48-N89 PolarHBondContact NZ-OD1 2.75Å; K87-N89 PolarHBondContact O-N 3.24Å
90	S	75.7	Confident	88.1	Confident	51 Å²	51	39.9 Å²	39.9	36%	0.357	20%	0.197	S	C	.	.			trans	-67.3	141.8	172.2	-175.3	0	0	0	0	109.4	K92 P160	S90-K92 PolarHBondContact OG-N 3.37Å; S90-P160 WeakPolarHBondContact O-CB 3.47Å; S90-P160 WeakPolarHBondContact O-CG 3.39Å
91	K	72.1	Confident	87.4	Confident	90 Å²	90	43.8 Å²	43.8	39%	0.391	22%	0.221	S	C	.	.			trans	-100.7	-6.8	170.6	-67	-171.7	177.3	-166.4	0	113	K42 I46	K42-K91 PolarHBondContact O-NZ 2.7Å; I46-K91 HydrophobicContact CD1-CD 4.14Å; I46-K91 HydrophobicContact CD1-CG 3.39Å; I46-K91 HydrophobicContact CG1-CD 4.29Å; I46-K91 HydrophobicContact CG1-CG 3.81Å
92	K	80.2	Confident	86.5	Confident	61 Å²	61	44.8 Å²	44.8	27%	0.265	23%	0.228	S	C	.	.			trans	-84	126.7	-164.9	-61.3	179.2	176.6	-163.4	0	109.8	P37 Q38 S90 P160	P37-K92 HydrophobicContact CB-CB 4.29Å; P37-K92 HydrophobicContact CB-CD 3.4Å; P37-K92 VanDerWaalsContact CB-CD 3.4Å; P37-K92 PolarHBondContact O-NZ 3.46Å; Q38-K92 WeakPolarHBondContact O-CD 3.05Å; Q38-K92 WeakPolarHBondContact O-CE 3.02Å; Q38-K92 PolarHBondContact O-NZ 3.37Å; Q38-K92 VanDerWaalsContact O-NZ 3.08Å; S90-K92 PolarHBondContact OG-N 3.37Å; K92-P160 VanDerWaalsContact O-CG 3.28Å; K92-P160 WeakPolarHBondContact O-CG 3.5Å
93	A	88.4	Confident	85.1	Confident	32 Å²	32	46.6 Å²	46.6	26%	0.264	24%	0.236	S	C	.	.			trans	-62.1	149.2	173	0	0	0	0	0	110.3	S156 L158	A93-S156 VanDerWaalsContact CB-O 3.29Å; A93-S156 WeakPolarHBondContact CB-O 3.14Å; A93-L158 CarbonylContact C-O 3.31Å; A93-L158 VanDerWaalsContact CA-O 3.3Å; A93-L158 WeakPolarHBondContact CA-O 3.32Å
94	I	88.6	Confident	83.6	Confident	11 Å²	11	50.8 Å²	50.8	6%	0.056	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-106	126.7	-179.7	-66.7	167.9	0	0	0	107.8	V35 G157 L158 Y189 I193	V35-I94 HydrophobicContact CG1-CB 4.41Å; V35-I94 HydrophobicContact CG1-CG2 3.68Å; V35-I94 HydrophobicContact CG2-CG2 4.41Å; I94-G157 CarbonylContact O-C 3.51Å; I94-G157 WeakPolarHBondContact O-CA 3.23Å; I94-L158 HydrophobicContact CB-CB 4.32Å; I94-L158 PolarHBondContact N-O 3.36Å; I94-L158 WeakPolarHBondContact O-CB 3.09Å; I94-L158 PolarHBondContact O-N 3.41Å; I94-Y189 HydrophobicContact CD1-CD1 4.45Å; I94-I193 HydrophobicContact CD1-CD1 4.42Å; I94-I193 HydrophobicContact CD1-CG2 3.87Å; I94-I193 HydrophobicContact CG2-CD1 3.68Å
95	H	89.3	Confident	82	Confident	21 Å²	21	53.5 Å²	53.5	10%	0.097	28%	0.278	C	S	.	.			trans	-114.4	135.9	-179.7	-58.6	80.8	0	0	0	110.4	Y136 E154 G155 G157	H95-Y136 WeakPolarHBondContact CA-O 3.41Å; H95-E154 VanDerWaalsContact CD2-CG 3.46Å; H95-E154 WeakPolarHBondContact CD2-CG 3.5Å; H95-E154 IonicContact CE1-OE1 3.93Å; H95-E154 IonicContact CE1-OE2 3.64Å; H95-E154 IonicContact ND1-OE2 2.68Å; H95-E154 WeakPolarHBondContact NE2-CG 3.46Å; H95-E154 IonicContact NE2-OE1 2.66Å; H95-E154 IonicContact NE2-OE2 2.97Å; H95-G155 PolarHBondContact NE2-O 3.39Å; H95-G157 VanDerWaalsContact CD2-CA 3.49Å; H95-G157 WeakPolarHBondContact CD2-CA 3.41Å; H95-G157 WeakPolarHBondContact NE2-CA 3.46Å; H95-G157 PolarHBondContact NE2-N 3.28Å
96	F	87.6	Confident	80.6	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.009	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-82.5	135.6	170.6	-56.9	-72.9	0	0	0	109.1	R98 I132 Y136 L137 S138 L158 L164 I193 L194	F96-R98 PolarHBondContact O-N 2.84Å; F96-I132 HydrophobicContact CD2-CG2 4.2Å; F96-Y136 PolarHBondContact N-O 2.9Å; F96-L137 HydrophobicContact CB-CD2 3.92Å; F96-L137 CarbonylContact O-C 3.56Å; F96-L137 VanDerWaalsContact O-CA 3.26Å; F96-L137 WeakPolarHBondContact O-CA 3.33Å; F96-S138 PolarHBondContact O-N 3.41Å; F96-L158 HydrophobicContact CE2-CD2 4.49Å; F96-L158 HydrophobicContact CZ-CD2 4.27Å; F96-L164 HydrophobicContact CD2-CD2 4.35Å; F96-L164 HydrophobicContact CE2-CD2 3.56Å; F96-L164 HydrophobicContact CZ-CB 4.44Å; F96-L164 HydrophobicContact CZ-CD2 4.11Å; F96-I193 HydrophobicContact CE1-CD1 4.31Å; F96-L194 HydrophobicContact CD1-CD2 4.44Å; F96-L194 HydrophobicContact CE1-CB 3.93Å; F96-L194 HydrophobicContact CE1-CD2 3.94Å; F96-L194 HydrophobicContact CE1-CG 4.38Å; F96-L194 HydrophobicContact CZ-CB 4.07Å; F96-L194 HydrophobicContact CZ-CD1 4.27Å; F96-L194 HydrophobicContact CZ-CD2 4.48Å
97	P	84.3	Confident	79.4	Confident	14 Å²	14	54.9 Å²	54.9	9%	0.091	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-65.8	136.7	-177.2	27.2	-34.4	0	0	0	111
98	R	87	Confident	78.1	Confident	19 Å²	19	56.7 Å²	56.7	7%	0.072	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-65.2	149.8	166.9	-73.3	-177.9	174	-80.1	-4	111	F96 E123 T125 N134 L137 S138 C140	F96-R98 PolarHBondContact O-N 2.84Å; R98-E123 PolarHBondContact NH1-O 2.88Å; R98-T125 WeakPolarHBondContact CA-OG1 3.28Å; R98-N134 PolarHBondContact NH1-OD1 2.99Å; R98-N134 VanDerWaalsContact NH2-CG 3.29Å; R98-N134 PolarHBondContact NH2-OD1 3.43Å; R98-L137 HydrophobicContact CG-CB 3.87Å; R98-L137 HydrophobicContact CG-CD1 4.12Å; R98-S138 VanDerWaalsContact CD-O 3.23Å; R98-S138 WeakPolarHBondContact CD-O 3.34Å; R98-S138 WeakPolarHBondContact CG-O 3.47Å; R98-S138 PolarHBondContact N-OG 2.92Å; R98-S138 PolarHBondContact NE-O 3.1Å; R98-S138 VanDerWaalsContact NE-O 3.14Å; R98-C140 HydrophobicContact CB-CB 3.84Å; R98-C140 HydrophobicContact CG-CB 4.24Å
99	E	84.5	Confident	76.9	Confident	53 Å²	53	56.2 Å²	56.2	25%	0.248	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-88.4	152.6	174.6	-64	-163.4	147.4	0	0	111.6	K122 T125	E99-K122 HydrophobicContact CB-CB 4.42Å; E99-K122 HydrophobicContact CB-CD 3.94Å; E99-K122 HydrophobicContact CB-CG 4.32Å; E99-K122 PolarHBondContact O-N 2.98Å; E99-K122 IonicContact OE2-NZ 2.68Å; E99-K122 PolarHBondContact OE2-NZ 2.87Å; E99-T125 HydrophobicContact CG-CG2 4.12Å; E99-T125 PolarHBondContact N-OG1 2.97Å
100	C	86.6	Confident	76	Confident	6 Å²	6	56.3 Å²	56.3	4%	0.041	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-97.1	156.1	166.4	-55.7	0	0	0	0	109.9	D102 V106 C116 A119 Q120 K122	C100-D102 VanDerWaalsContact CB-O 3.26Å; C100-D102 WeakPolarHBondContact CB-O 3.5Å; C100-D102 PolarHBondContact O-N 3.35Å; C100-V106 HydrophobicContact CB-CG2 4.46Å; C100-C116 VanDerWaalsContact CA-SG 3.57Å; C100-C116 HydrophobicContact CB-CB 3.85Å; C100-C116 WeakPolarHBondContact CB-SG 3.35Å; C100-C116 WeakPolarHBondContact SG-CA 3.36Å; C100-C116 WeakPolarHBondContact SG-CB 3.45Å; C100-C116 CovalentContact SG-SG 2.02Å; C100-C116 PolarHBondContact SG-SG 3.03Å; C100-A119 HydrophobicContact CB-CB 4.19Å; C100-Q120 CarbonylContact C-O 3.46Å; C100-Q120 WeakPolarHBondContact CA-O 3.43Å; C100-K122 VanDerWaalsContact O-CE 3.28Å; C100-K122 WeakPolarHBondContact O-CE 3.17Å
101	T	84.7	Confident	75.2	Confident	83 Å²	83	60.7 Å²	60.7	51%	0.509	32%	0.322	S	S	.	.	S	Bend	trans	-57.9	-31.8	174.1	50.2	0	0	0	0	111.8	Q120 K122	T101-Q120 HydrophobicContact CG2-CB 3.89Å; T101-Q120 WeakPolarHBondContact CG2-O 3.25Å; T101-Q120 PolarHBondContact N-O 3.16Å; T101-Q120 PolarHBondContact OG1-N 2.97Å; T101-Q120 PolarHBondContact OG1-O 2.75Å; T101-K122 HydrophobicContact CG2-CG 4.22Å
102	D	79.1	Confident	74.8	Confident	71 Å²	71	60.6 Å²	60.6	38%	0.38	33%	0.325	S	S	.	.	S	Bend	trans	-120	125.6	170.1	-169.5	-26.3	0	0	0	109.9	C100 S104 H105 A119	C100-D102 VanDerWaalsContact CB-O 3.26Å; C100-D102 WeakPolarHBondContact CB-O 3.5Å; C100-D102 PolarHBondContact O-N 3.35Å; D102-S104 VanDerWaalsContact C-N 3.31Å; D102-S104 VanDerWaalsContact CG-OG 3.25Å; D102-S104 PolarHBondContact O-N 3.06Å; D102-S104 WeakPolarHBondContact OD1-CB 3.4Å; D102-S104 PolarHBondContact OD1-N 2.66Å; D102-S104 PolarHBondContact OD1-OG 3.16Å; D102-S104 PolarHBondContact OD2-OG 2.79Å; D102-H105 IonicContact OD2-CD2 3.2Å; D102-H105 PolarHBondContact OD2-CD2 3.38Å; D102-H105 IonicContact OD2-NE2 3.98Å; D102-A119 HydrophobicContact CB-CB 4.06Å
103	K	68.4	Low	74.3	Confident	163 Å²	163	59.9 Å²	59.9	71%	0.709	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-70.5	-24.9	-178.4	-67.3	-174.2	178	-175.8	0	112.9	H105	K103-H105 PolarHBondContact O-N 2.87Å; K103-H105 VanDerWaalsContact O-N 3.08Å
104	S	66	Low	73.5	Confident	90 Å²	90	60.3 Å²	60.3	63%	0.629	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-73.8	3.6	-176.4	64.5	0	0	0	0	114.4	D102	D102-S104 VanDerWaalsContact C-N 3.31Å; D102-S104 VanDerWaalsContact CG-OG 3.25Å; D102-S104 PolarHBondContact O-N 3.06Å; D102-S104 WeakPolarHBondContact OD1-CB 3.4Å; D102-S104 PolarHBondContact OD1-N 2.66Å; D102-S104 PolarHBondContact OD1-OG 3.16Å; D102-S104 PolarHBondContact OD2-OG 2.79Å
105	H	65.1	Low	73.1	Confident	56 Å²	56	59.9 Å²	59.9	26%	0.259	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-128	30	-162.9	-84.4	-45.9	0	0	0	113.5	D102 K103 C116 V117 A119	D102-H105 IonicContact OD2-CD2 3.2Å; D102-H105 PolarHBondContact OD2-CD2 3.38Å; D102-H105 IonicContact OD2-NE2 3.98Å; K103-H105 PolarHBondContact O-N 2.87Å; K103-H105 VanDerWaalsContact O-N 3.08Å; H105-C116 CarbonylContact O-C 3.53Å; H105-C116 WeakPolarHBondContact O-CA 3.4Å; H105-V117 WeakPolarHBondContact CB-O 2.87Å; H105-V117 PolarHBondContact ND1-O 3.48Å; H105-V117 VanDerWaalsContact ND1-O 3.13Å; H105-V117 PolarHBondContact O-N 3.49Å; H105-A119 HydrophobicContact CB-CB 3.73Å
106	V	67.7	Low	72.9	Confident	54 Å²	54	58.9 Å²	58.9	33%	0.327	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	117.1	177.3	-171.1	0	0	0	0	110.4	C100 R114 S115	C100-V106 HydrophobicContact CB-CG2 4.46Å; V106-R114 HydrophobicContact CG1-CG 3.5Å; V106-R114 VanDerWaalsContact CG1-CG 3.5Å; V106-S115 WeakPolarHBondContact CA-O 3.46Å
107	V	68.8	Low	72.7	Confident	68 Å²	68	60 Å²	60	41%	0.412	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.8	177.8	-173.8	0	0	0	0	110	V109 S115 V117	V107-V109 HydrophobicContact CB-CG2 4.37Å; V107-V109 HydrophobicContact CG1-CG2 4.07Å; V107-S115 PolarHBondContact N-O 2.69Å; V107-S115 PolarHBondContact O-N 3.03Å; V107-V117 HydrophobicContact CB-CG2 3.62Å; V107-V117 HydrophobicContact CG2-CB 4.17Å; V107-V117 HydrophobicContact CG2-CG2 3.45Å; V107-V117 VanDerWaalsContact CG2-CG2 3.45Å
108	E	62.6	Low	72.6	Confident	90 Å²	90	64.5 Å²	64.5	42%	0.421	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	117.3	167.2	-73	-174.4	-150.2	0	0	109.7	Y36 N112	Y36-E108 PolarHBondContact OH-OE1 2.88Å; E108-N112 WeakPolarHBondContact OE2-CB 3.26Å; E108-N112 VanDerWaalsContact OE2-CG 3.26Å; E108-N112 PolarHBondContact OE2-OD1 3.11Å
109	V	56.4	Low	72.5	Confident	27 Å²	27	63.8 Å²	63.8	16%	0.164	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	142.1	178.3	-173.9	0	0	0	0	109.1	V107 I113 Y148	V107-V109 HydrophobicContact CB-CG2 4.37Å; V107-V109 HydrophobicContact CG1-CG2 4.07Å; V109-I113 PolarHBondContact N-O 2.74Å; V109-I113 VanDerWaalsContact N-O 3.08Å; V109-I113 WeakPolarHBondContact O-CB 3.43Å; V109-I113 PolarHBondContact O-N 2.03Å; V109-I113 VanDerWaalsContact O-N 3.11Å; V109-Y148 HydrophobicContact CB-CE2 4.45Å
110	N	52.8	Low	72.6	Confident	121 Å²	121	66.6 Å²	66.6	65%	0.647	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.2	85	171.8	-67.1	-20.1	0	0	0	115.1	I113	N110-I113 WeakPolarHBondContact O-CD1 3.34Å
111	N	60	Low	72.7	Confident	143 Å²	143	66.7 Å²	66.7	77%	0.765	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	46.1	-178.4	-57.5	-24.2	0	0	0	114.6	I113	N111-I113 VanDerWaalsContact C-N 3.26Å; N111-I113 PolarHBondContact O-N 3.03Å
112	N	62.8	Low	72.8	Confident	87 Å²	87	66.2 Å²	66.2	47%	0.465	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	27.2	173.3	-55.6	6.7	0	0	0	114.3	Y36 E108 R114	Y36-N112 HydrophobicContact CD1-CB 3.82Å; Y36-N112 HydrophobicContact CE1-CB 3.68Å; E108-N112 WeakPolarHBondContact OE2-CB 3.26Å; E108-N112 VanDerWaalsContact OE2-CG 3.26Å; E108-N112 PolarHBondContact OE2-OD1 3.11Å; N112-R114 PolarHBondContact O-N 3.2Å
113	I	69.9	Low	73.2	Confident	47 Å²	47	68.1 Å²	68.1	24%	0.241	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	115.4	175.2	-54.7	173.4	0	0	0	108.4	V109 N110 N111 S115 H141 Y148	V109-I113 PolarHBondContact N-O 2.74Å; V109-I113 VanDerWaalsContact N-O 3.08Å; V109-I113 WeakPolarHBondContact O-CB 3.43Å; V109-I113 PolarHBondContact O-N 2.03Å; V109-I113 VanDerWaalsContact O-N 3.11Å; N110-I113 WeakPolarHBondContact O-CD1 3.34Å; N111-I113 VanDerWaalsContact C-N 3.26Å; N111-I113 PolarHBondContact O-N 3.03Å; I113-S115 PolarHBondContact O-N 3.21Å; I113-S115 PolarHBondContact O-OG 2.73Å; I113-H141 VanDerWaalsContact CG2-CE1 3.41Å; I113-H141 WeakPolarHBondContact CG2-CE1 3.46Å; I113-H141 VanDerWaalsContact CG2-ND1 3.32Å; I113-H141 WeakPolarHBondContact CG2-ND1 3.45Å; I113-Y148 WeakPolarHBondContact CG2-OH 3.11Å
114	R	71.7	Confident	74.1	Confident	41 Å²	41	62.5 Å²	62.5	16%	0.155	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	122.9	179.7	-136.4	-174.8	177.9	162.6	-6.8	110.3	G32 H33 V106 N112	G32-R114 PolarHBondContact O-NH2 2.82Å; H33-R114 PolarHBondContact ND1-NH1 2.75Å; H33-R114 VanDerWaalsContact ND1-NH1 3.2Å; H33-R114 PolarHBondContact ND1-NH2 2.84Å; V106-R114 HydrophobicContact CG1-CG 3.5Å; V106-R114 VanDerWaalsContact CG1-CG 3.5Å; N112-R114 PolarHBondContact O-N 3.2Å
115	S	79.7	Confident	75.1	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.007	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	140	-171.4	-51.6	0	0	0	0	111.3	V106 V107 I113 H141 Y148	V106-S115 WeakPolarHBondContact CA-O 3.46Å; V107-S115 PolarHBondContact N-O 2.69Å; V107-S115 PolarHBondContact O-N 3.03Å; I113-S115 PolarHBondContact O-N 3.21Å; I113-S115 PolarHBondContact O-OG 2.73Å; S115-H141 CarbonylContact C-O 3.59Å; S115-H141 WeakPolarHBondContact CA-O 3.32Å; S115-Y148 VanDerWaalsContact OG-CE2 3.3Å; S115-Y148 WeakPolarHBondContact OG-CE2 3.4Å; S115-Y148 PolarHBondContact OG-OH 3.22Å
116	C	85.9	Confident	76.1	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.007	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	111.6	173	-57.1	0	0	0	0	109.2	C100 H105 A119 C140 H141 H142 Q143	C100-C116 VanDerWaalsContact CA-SG 3.57Å; C100-C116 HydrophobicContact CB-CB 3.85Å; C100-C116 WeakPolarHBondContact CB-SG 3.35Å; C100-C116 WeakPolarHBondContact SG-CA 3.36Å; C100-C116 WeakPolarHBondContact SG-CB 3.45Å; C100-C116 CovalentContact SG-SG 2.02Å; C100-C116 PolarHBondContact SG-SG 3.03Å; H105-C116 CarbonylContact O-C 3.53Å; H105-C116 WeakPolarHBondContact O-CA 3.4Å; C116-A119 HydrophobicContact CB-CB 4.24Å; C116-A119 VanDerWaalsContact CB-O 3.27Å; C116-A119 WeakPolarHBondContact CB-O 3.09Å; C116-C140 PolarHBondContact SG-SG 3.15Å; C116-H141 PolarHBondContact N-O 3.34Å; C116-H142 WeakPolarHBondContact O-CA 3.37Å; C116-Q143 PolarHBondContact O-N 3.36Å
117	V	83.4	Confident	76.7	Confident	25 Å²	25	59.2 Å²	59.2	15%	0.152	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.8	-179.2	-177.1	0	0	0	0	109.4	H105 V107 A119 Q143	H105-V117 WeakPolarHBondContact CB-O 2.87Å; H105-V117 PolarHBondContact ND1-O 3.48Å; H105-V117 VanDerWaalsContact ND1-O 3.13Å; H105-V117 PolarHBondContact O-N 3.49Å; V107-V117 HydrophobicContact CB-CG2 3.62Å; V107-V117 HydrophobicContact CG2-CB 4.17Å; V107-V117 HydrophobicContact CG2-CG2 3.45Å; V107-V117 VanDerWaalsContact CG2-CG2 3.45Å; V117-A119 PolarHBondContact O-N 3.32Å; V117-A119 VanDerWaalsContact O-N 3.12Å; V117-Q143 HydrophobicContact CG2-CB 4.14Å
118	N	81.6	Confident	76.9	Confident	108 Å²	108	60.1 Å²	60.1	58%	0.578	30%	0.301	S	S	*	.	S	Bend	trans	58.7	17	-173.1	-53.2	-35.9	0	0	0	114.4	Q143	N118-Q143 PolarHBondContact N-O 3.42Å
119	A	84.3	Confident	77.6	Confident	4 Å²	4	57.4 Å²	57.4	3%	0.033	30%	0.298	C	S	.	.	S	Bend	trans	-137.2	161.6	176.7	0	0	0	0	0	109.9	C100 D102 H105 C116 V117	C100-A119 HydrophobicContact CB-CB 4.19Å; D102-A119 HydrophobicContact CB-CB 4.06Å; H105-A119 HydrophobicContact CB-CB 3.73Å; C116-A119 HydrophobicContact CB-CB 4.24Å; C116-A119 VanDerWaalsContact CB-O 3.27Å; C116-A119 WeakPolarHBondContact CB-O 3.09Å; V117-A119 PolarHBondContact O-N 3.32Å; V117-A119 VanDerWaalsContact O-N 3.12Å
120	Q	86.5	Confident	78.9	Confident	113 Å²	113	56.4 Å²	56.4	53%	0.528	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-97.7	136.9	177.8	-64.6	179.6	-13.3	0	0	110.4	C100 T101 K122 H142 M144	C100-Q120 CarbonylContact C-O 3.46Å; C100-Q120 WeakPolarHBondContact CA-O 3.43Å; T101-Q120 HydrophobicContact CG2-CB 3.89Å; T101-Q120 WeakPolarHBondContact CG2-O 3.25Å; T101-Q120 PolarHBondContact N-O 3.16Å; T101-Q120 PolarHBondContact OG1-N 2.97Å; T101-Q120 PolarHBondContact OG1-O 2.75Å; Q120-K122 PolarHBondContact O-N 3.46Å; Q120-H142 WeakPolarHBondContact CA-NE2 3.44Å; Q120-M144 HydrophobicContact CG-CE 4.1Å
121	C	88.3	Confident	80.6	Confident	8 Å²	8	55.3 Å²	55.3	5%	0.054	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-52.3	125.1	161.2	-61.3	0	0	0	0	110.6	C140 H142 I151 Y152	C121-C140 HydrophobicContact CB-CB 3.82Å; C121-C140 WeakPolarHBondContact CB-SG 3.44Å; C121-C140 WeakPolarHBondContact SG-CB 3.34Å; C121-C140 CovalentContact SG-SG 2.03Å; C121-C140 PolarHBondContact SG-SG 3.35Å; C121-H142 PolarHBondContact N-CD2 3.34Å; C121-H142 PolarHBondContact N-NE2 2.91Å; C121-H142 PolarHBondContact SG-CD2 3.13Å; C121-I151 HydrophobicContact CB-CG2 4.45Å; C121-Y152 HydrophobicContact CB-CD2 3.71Å; C121-Y152 HydrophobicContact CB-CE2 3.66Å
122	K	88.6	Confident	82	Confident	72 Å²	72	48.5 Å²	48.5	31%	0.313	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-69.5	141.8	165.8	-62.8	-170.3	-171	168.2	0	109.4	E99 C100 T101 Q120 D124	E99-K122 HydrophobicContact CB-CB 4.42Å; E99-K122 HydrophobicContact CB-CD 3.94Å; E99-K122 HydrophobicContact CB-CG 4.32Å; E99-K122 PolarHBondContact O-N 2.98Å; E99-K122 IonicContact OE2-NZ 2.68Å; E99-K122 PolarHBondContact OE2-NZ 2.87Å; C100-K122 VanDerWaalsContact O-CE 3.28Å; C100-K122 WeakPolarHBondContact O-CE 3.17Å; T101-K122 HydrophobicContact CG2-CG 4.22Å; Q120-K122 PolarHBondContact O-N 3.46Å; K122-D124 WeakPolarHBondContact CB-O 3.37Å; K122-D124 PolarHBondContact O-N 3.47Å
123	E	86.6	Confident	83.5	Confident	111 Å²	111	46.3 Å²	46.3	52%	0.519	24%	0.235	S	C	.	.	S	Bend	trans	-63.3	-35.7	171.6	-171.1	177.4	173	0	0	111.1	R98 N134 Y152	R98-E123 PolarHBondContact NH1-O 2.88Å; E123-N134 PolarHBondContact O-OD1 2.77Å; E123-Y152 WeakPolarHBondContact CA-OH 3.28Å; E123-Y152 HydrophobicContact CB-CE1 4.46Å; E123-Y152 WeakPolarHBondContact CB-OH 3.36Å; E123-Y152 HydrophobicContact CG-CE1 4.14Å
124	D	87.6	Confident	84.5	Confident	46 Å²	46	46.8 Å²	46.8	25%	0.246	24%	0.238	C	C	.	.			trans	-116	142.5	-174.3	-64.4	-28.2	0	0	0	111.5	K122 K131	K122-D124 WeakPolarHBondContact CB-O 3.37Å; K122-D124 PolarHBondContact O-N 3.47Å; D124-K131 HydrophobicContact CB-CD 4.2Å; D124-K131 HydrophobicContact CB-CG 4.3Å; D124-K131 WeakPolarHBondContact OD1-CE 3.32Å; D124-K131 IonicContact OD1-NZ 2.76Å; D124-K131 PolarHBondContact OD1-NZ 2.97Å; D124-K131 WeakPolarHBondContact OD2-CD 3.29Å; D124-K131 WeakPolarHBondContact OD2-CE 3.3Å; D124-K131 IonicContact OD2-NZ 3.93Å; D124-K131 PolarHBondContact OD2-NZ 2.93Å
125	T	87.5	Confident	85.6	Confident	6 Å²	6	50.1 Å²	50.1	4%	0.037	25%	0.254	C	S	.	.			trans	-116	127.6	168.3	-70.4	0	0	0	0	108	R98 E99 I132 L137	R98-T125 WeakPolarHBondContact CA-OG1 3.28Å; E99-T125 HydrophobicContact CG-CG2 4.12Å; E99-T125 PolarHBondContact N-OG1 2.97Å; T125-I132 PolarHBondContact O-N 2.72Å; T125-L137 HydrophobicContact CG2-CD2 4.3Å
126	E	85.1	Confident	86.2	Confident	105 Å²	105	50.5 Å²	50.5	49%	0.491	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	143.5	177.7	-65.1	-178.6	-173.5	0	0	110.4	V130	E126-V130 VanDerWaalsContact CA-O 3.26Å; E126-V130 WeakPolarHBondContact CA-O 3.37Å
127	I	80.3	Confident	86.5	Confident	19 Å²	19	50.4 Å²	50.4	10%	0.097	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.1	168.6	-59.6	-177.8	0	0	0	105.9	G129 V130 I132 V186 L194	I127-G129 PolarHBondContact O-N 2.79Å; I127-V130 PolarHBondContact N-O 2.97Å; I127-V130 PolarHBondContact O-N 3.48Å; I127-I132 HydrophobicContact CB-CD1 4.1Å; I127-I132 HydrophobicContact CB-CG1 4.24Å; I127-I132 HydrophobicContact CD1-CD1 3.93Å; I127-I132 HydrophobicContact CD1-CG1 3.73Å; I127-I132 HydrophobicContact CG1-CD1 4.02Å; I127-I132 HydrophobicContact CG1-CG1 3.69Å; I127-V186 HydrophobicContact CG2-CG1 4.17Å; I127-L194 HydrophobicContact CD1-CD1 4.31Å; I127-L194 HydrophobicContact CD1-CD2 3.3Å; I127-L194 HydrophobicContact CD1-CG 4.42Å; I127-L194 HydrophobicContact CG2-CD2 4.19Å
128	E	73.9	Confident	86.8	Confident	87 Å²	87	50.1 Å²	50.1	41%	0.407	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	39	-173.6	-55.3	-51.8	141.1	0	0	113.1	V130 I173 V196	E128-V130 VanDerWaalsContact C-N 3.28Å; E128-V130 PolarHBondContact O-N 3.36Å; E128-I173 HydrophobicContact CG-CD1 4.35Å; E128-V196 HydrophobicContact CB-CG2 4.39Å; E128-V196 HydrophobicContact CG-CG1 4.41Å; E128-V196 HydrophobicContact CG-CG2 3.83Å
129	G	76	Confident	87.2	Confident	34 Å²	34	46 Å²	46	35%	0.351	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	15	180	0	0	0	0	0	115.1	I127 K172	I127-G129 PolarHBondContact O-N 2.79Å; G129-K172 PolarHBondContact O-NZ 2.7Å
130	V	83.8	Confident	87.4	Confident	5 Å²	5	46 Å²	46	3%	0.03	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.8	174.8	-175.8	0	0	0	0	110.3	V55 D57 E126 I127 E128 I132 V166	V55-V130 HydrophobicContact CG1-CG1 3.99Å; D57-V130 HydrophobicContact CB-CG2 3.87Å; E126-V130 VanDerWaalsContact CA-O 3.26Å; E126-V130 WeakPolarHBondContact CA-O 3.37Å; I127-V130 PolarHBondContact N-O 2.97Å; I127-V130 PolarHBondContact O-N 3.48Å; E128-V130 VanDerWaalsContact C-N 3.28Å; E128-V130 PolarHBondContact O-N 3.36Å; V130-I132 PolarHBondContact O-N 3.36Å; V130-V166 HydrophobicContact CB-CG1 3.49Å; V130-V166 VanDerWaalsContact CB-CG1 3.49Å; V130-V166 HydrophobicContact CG1-CG1 3.84Å; V130-V166 HydrophobicContact CG2-CG1 3.51Å
131	K	88.4	Confident	87.5	Confident	99 Å²	99	41.2 Å²	41.2	43%	0.43	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	119.8	177.2	177.8	172.1	170.1	158.2	0	111.2	D124	D124-K131 HydrophobicContact CB-CD 4.2Å; D124-K131 HydrophobicContact CB-CG 4.3Å; D124-K131 WeakPolarHBondContact OD1-CE 3.32Å; D124-K131 IonicContact OD1-NZ 2.76Å; D124-K131 PolarHBondContact OD1-NZ 2.97Å; D124-K131 WeakPolarHBondContact OD2-CD 3.29Å; D124-K131 WeakPolarHBondContact OD2-CE 3.3Å; D124-K131 IonicContact OD2-NZ 3.93Å; D124-K131 PolarHBondContact OD2-NZ 2.93Å
132	I	90.7	Very high	87.4	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-79.4	129.3	173.3	-57.5	-54.8	0	0	0	109	F96 T125 I127 V130 N134 Y136 L137 L164 V166	F96-I132 HydrophobicContact CD2-CG2 4.2Å; T125-I132 PolarHBondContact O-N 2.72Å; I127-I132 HydrophobicContact CB-CD1 4.1Å; I127-I132 HydrophobicContact CB-CG1 4.24Å; I127-I132 HydrophobicContact CD1-CD1 3.93Å; I127-I132 HydrophobicContact CD1-CG1 3.73Å; I127-I132 HydrophobicContact CG1-CD1 4.02Å; I127-I132 HydrophobicContact CG1-CG1 3.69Å; V130-I132 PolarHBondContact O-N 3.36Å; I132-N134 PolarHBondContact O-N 2.91Å; I132-Y136 HydrophobicContact CG2-CD2 4.48Å; I132-L137 HydrophobicContact CB-CD2 4.07Å; I132-L137 HydrophobicContact CG2-CD2 3.75Å; I132-L164 HydrophobicContact CD1-CD2 4.25Å; I132-L164 HydrophobicContact CG2-CD2 4.21Å; I132-V166 HydrophobicContact CD1-CG2 3.62Å
133	P	92.8	Very high	87.1	Confident	41 Å²	41	41.2 Å²	41.2	27%	0.266	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-55.2	131.6	178.1	-28.1	34.7	0	0	0	112.7	V55 K135 Y136	V55-P133 HydrophobicContact CG2-CG 3.94Å; P133-K135 HydrophobicContact CB-CG 4.14Å; P133-K135 PolarHBondContact O-N 2.6Å; P133-Y136 HydrophobicContact CB-CD2 3.92Å; P133-Y136 HydrophobicContact CB-CE2 4.13Å; P133-Y136 HydrophobicContact CG-CD2 4.14Å; P133-Y136 HydrophobicContact CG-CE2 4.13Å; P133-Y136 PolarHBondContact O-N 2.84Å
134	N	92.2	Very high	86.5	Confident	57 Å²	57	39.4 Å²	39.4	31%	0.305	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-50.6	-29.8	-177.3	-82.2	-27.2	0	0	0	114.6	R98 E123 I132 Y136 L137	R98-N134 PolarHBondContact NH1-OD1 2.99Å; R98-N134 VanDerWaalsContact NH2-CG 3.29Å; R98-N134 PolarHBondContact NH2-OD1 3.43Å; E123-N134 PolarHBondContact O-OD1 2.77Å; I132-N134 PolarHBondContact O-N 2.91Å; N134-Y136 PolarHBondContact O-N 3.19Å; N134-L137 PolarHBondContact O-N 3.47Å; N134-L137 VanDerWaalsContact O-N 3.09Å; N134-L137 WeakPolarHBondContact OD1-CD1 3.48Å
135	K	94	Very high	86	Confident	111 Å²	111	44.6 Å²	44.6	48%	0.483	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-62.1	-20.3	176.5	65.8	176.4	176.3	168.7	0	114.2	P133 G155 S156 G157	P133-K135 HydrophobicContact CB-CG 4.14Å; P133-K135 PolarHBondContact O-N 2.6Å; K135-G155 CarbonylContact O-C 3.55Å; K135-G155 VanDerWaalsContact O-C 3.31Å; K135-G155 WeakPolarHBondContact O-CA 3.08Å; K135-S156 PolarHBondContact O-N 2.99Å; K135-S156 PolarHBondContact O-OG 3.18Å; K135-G157 PolarHBondContact O-N 2.95Å
136	Y	93.4	Very high	85.2	Confident	8 Å²	8	51.7 Å²	51.7	3%	0.031	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-96.9	-2	177.3	-57.9	-56.5	0	0	0	113.3	I53 H95 F96 I132 P133 N134 L158 L164	I53-Y136 HydrophobicContact CG2-CE2 4.26Å; I53-Y136 WeakPolarHBondContact CG2-OH 3.21Å; H95-Y136 WeakPolarHBondContact CA-O 3.41Å; F96-Y136 PolarHBondContact N-O 2.9Å; I132-Y136 HydrophobicContact CG2-CD2 4.48Å; P133-Y136 HydrophobicContact CB-CD2 3.92Å; P133-Y136 HydrophobicContact CB-CE2 4.13Å; P133-Y136 HydrophobicContact CG-CD2 4.14Å; P133-Y136 HydrophobicContact CG-CE2 4.13Å; P133-Y136 PolarHBondContact O-N 2.84Å; N134-Y136 PolarHBondContact O-N 3.19Å; Y136-L158 HydrophobicContact CD1-CB 4.22Å; Y136-L158 HydrophobicContact CD1-CD1 4.04Å; Y136-L158 HydrophobicContact CE1-CD1 3.8Å; Y136-L164 HydrophobicContact CD2-CD2 4.35Å; Y136-L164 HydrophobicContact CE2-CD1 4.29Å
137	L	91.8	Very high	84.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-93.5	149.9	-175	-56.1	-175.4	0	0	0	111.6	F96 R98 T125 I132 N134 G155	F96-L137 HydrophobicContact CB-CD2 3.92Å; F96-L137 CarbonylContact O-C 3.56Å; F96-L137 VanDerWaalsContact O-CA 3.26Å; F96-L137 WeakPolarHBondContact O-CA 3.33Å; R98-L137 HydrophobicContact CG-CB 3.87Å; R98-L137 HydrophobicContact CG-CD1 4.12Å; T125-L137 HydrophobicContact CG2-CD2 4.3Å; I132-L137 HydrophobicContact CB-CD2 4.07Å; I132-L137 HydrophobicContact CG2-CD2 3.75Å; N134-L137 PolarHBondContact O-N 3.47Å; N134-L137 VanDerWaalsContact O-N 3.09Å; N134-L137 WeakPolarHBondContact OD1-CD1 3.48Å; L137-G155 PolarHBondContact O-N 3.35Å
138	S	89.7	Confident	84.9	Confident	18 Å²	18	57 Å²	57	13%	0.126	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-67.5	166.8	172.9	70	0	0	0	0	111	F96 R98	F96-S138 PolarHBondContact O-N 3.41Å; R98-S138 VanDerWaalsContact CD-O 3.23Å; R98-S138 WeakPolarHBondContact CD-O 3.34Å; R98-S138 WeakPolarHBondContact CG-O 3.47Å; R98-S138 PolarHBondContact N-OG 2.92Å; R98-S138 PolarHBondContact NE-O 3.1Å; R98-S138 VanDerWaalsContact NE-O 3.14Å
139	S	89.6	Confident	85.6	Confident	22 Å²	22	59.5 Å²	59.5	15%	0.154	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-59.1	159.3	163	58.9	0	0	0	0	111	H141 Y152	S139-H141 PolarHBondContact OG-CE1 3.03Å; S139-Y152 CarbonylContact C-O 3.54Å; S139-Y152 WeakPolarHBondContact CA-O 3.33Å; S139-Y152 WeakPolarHBondContact CB-O 3.38Å
140	C	88.9	Confident	86.2	Confident	4 Å²	4	62.9 Å²	62.9	3%	0.027	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	138.3	169.8	-173.3	0	0	0	0	111.3	R98 C116 C121 I151 Y152	R98-C140 HydrophobicContact CB-CB 3.84Å; R98-C140 HydrophobicContact CG-CB 4.24Å; C116-C140 PolarHBondContact SG-SG 3.15Å; C121-C140 HydrophobicContact CB-CB 3.82Å; C121-C140 WeakPolarHBondContact CB-SG 3.44Å; C121-C140 WeakPolarHBondContact SG-CB 3.34Å; C121-C140 CovalentContact SG-SG 2.03Å; C121-C140 PolarHBondContact SG-SG 3.35Å; C140-I151 PolarHBondContact O-N 2.97Å; C140-Y152 HydrophobicContact CB-CD2 4.41Å; C140-Y152 PolarHBondContact N-O 3.21Å; C140-Y152 PolarHBondContact O-N 2.77Å
141	H	88.8	Confident	86.5	Confident	12 Å²	12	65.2 Å²	65.2	6%	0.056	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.7	-175.7	-58.9	76	0	0	0	110.3	I113 S115 C116 S139 Y148 K149 E150	I113-H141 VanDerWaalsContact CG2-CE1 3.41Å; I113-H141 WeakPolarHBondContact CG2-CE1 3.46Å; I113-H141 VanDerWaalsContact CG2-ND1 3.32Å; I113-H141 WeakPolarHBondContact CG2-ND1 3.45Å; S115-H141 CarbonylContact C-O 3.59Å; S115-H141 WeakPolarHBondContact CA-O 3.32Å; C116-H141 PolarHBondContact N-O 3.34Å; S139-H141 PolarHBondContact OG-CE1 3.03Å; H141-Y148 HydrophobicContact CB-CD2 4.35Å; H141-Y148 HydrophobicContact CB-CE1 4.09Å; H141-Y148 HydrophobicContact CB-CE2 3.62Å; H141-Y148 VanDerWaalsContact CB-CZ 3.47Å; H141-Y148 WeakPolarHBondContact CB-OH 3.48Å; H141-Y148 AromaticContact CD2-CE1 3.15Å; H141-Y148 WeakPolarHBondContact CD2-CE1 3.34Å; H141-Y148 AromaticContact CD2-CZ 3.28Å; H141-Y148 PolarHBondContact CD2-OH 3.35Å; H141-Y148 AromaticContact CG-CE1 3.75Å; H141-Y148 AromaticContact CG-CZ 3.34Å; H141-Y148 PolarHBondContact ND1-OH 2.63Å; H141-Y148 AromaticContact NE2-CE1 3.83Å; H141-K149 CarbonylContact C-O 3.48Å; H141-K149 WeakPolarHBondContact CA-O 3.33Å; H141-E150 WeakPolarHBondContact CD2-CA 3.13Å; H141-E150 VanDerWaalsContact CD2-CB 3.49Å; H141-E150 WeakPolarHBondContact CD2-CB 3.22Å; H141-E150 IonicContact NE2-OE2 3.51Å
142	H	86.5	Confident	86.6	Confident	32 Å²	32	63.4 Å²	63.4	15%	0.148	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	140.3	167.3	-66.3	168	0	0	0	109.4	C116 Q120 C121 Y148 K149 I151	C116-H142 WeakPolarHBondContact O-CA 3.37Å; Q120-H142 WeakPolarHBondContact CA-NE2 3.44Å; C121-H142 PolarHBondContact N-CD2 3.34Å; C121-H142 PolarHBondContact N-NE2 2.91Å; C121-H142 PolarHBondContact SG-CD2 3.13Å; H142-Y148 WeakPolarHBondContact O-CA 3.24Å; H142-K149 PolarHBondContact N-O 3.23Å; H142-K149 PolarHBondContact O-N 3.49Å; H142-I151 HydrophobicContact CB-CD1 4.38Å; H142-I151 HydrophobicContact CB-CG1 4.13Å; H142-I151 WeakPolarHBondContact ND1-CD1 3.38Å
143	Q	80.7	Confident	86.6	Confident	49 Å²	49	67.2 Å²	67.2	23%	0.229	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	107.7	162.7	-171.5	179.9	-0	0	0	108.9	C116 V117 N118 E147	C116-Q143 PolarHBondContact O-N 3.36Å; V117-Q143 HydrophobicContact CG2-CB 4.14Å; N118-Q143 PolarHBondContact N-O 3.42Å; Q143-E147 WeakPolarHBondContact CA-O 3.26Å
144	M	74.8	Confident	86.5	Confident	73 Å²	73	70.4 Å²	70.4	36%	0.36	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134.8	174.5	-69.8	-173.8	176.1	0	0	108.6	Q120 N146 E147	Q120-M144 HydrophobicContact CG-CE 4.1Å; M144-N146 VanDerWaalsContact C-N 3.28Å; M144-N146 PolarHBondContact O-N 3.17Å; M144-E147 PolarHBondContact N-O 2.74Å; M144-E147 VanDerWaalsContact N-O 3.16Å; M144-E147 WeakPolarHBondContact O-CB 3.45Å; M144-E147 PolarHBondContact O-N 2.74Å
145	N	77.2	Confident	86.5	Confident	155 Å²	155	68.6 Å²	68.6	83%	0.829	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	40	177.1	-59.9	-27.1	0	0	0	114.8	E147	N145-E147 PolarHBondContact O-N 2.83Å; N145-E147 VanDerWaalsContact O-N 3.17Å
146	N	71.6	Confident	86.4	Confident	154 Å²	154	67.5 Å²	67.5	82%	0.824	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	6.9	-173.4	-65.6	-23.4	0	0	0	116	M144	M144-N146 VanDerWaalsContact C-N 3.28Å; M144-N146 PolarHBondContact O-N 3.17Å
147	E	77.4	Confident	86.3	Confident	150 Å²	150	67.4 Å²	67.4	70%	0.701	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.8	170	-65.4	-173	166.8	0	0	110.2	Q143 M144 N145	Q143-E147 WeakPolarHBondContact CA-O 3.26Å; M144-E147 PolarHBondContact N-O 2.74Å; M144-E147 VanDerWaalsContact N-O 3.16Å; M144-E147 WeakPolarHBondContact O-CB 3.45Å; M144-E147 PolarHBondContact O-N 2.74Å; N145-E147 PolarHBondContact O-N 2.83Å; N145-E147 VanDerWaalsContact O-N 3.17Å
148	Y	81.4	Confident	86.3	Confident	85 Å²	85	67.4 Å²	67.4	33%	0.333	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.7	177	-175	-97.7	0	0	0	109.3	V109 I113 S115 H141 H142	V109-Y148 HydrophobicContact CB-CE2 4.45Å; I113-Y148 WeakPolarHBondContact CG2-OH 3.11Å; S115-Y148 VanDerWaalsContact OG-CE2 3.3Å; S115-Y148 WeakPolarHBondContact OG-CE2 3.4Å; S115-Y148 PolarHBondContact OG-OH 3.22Å; H141-Y148 HydrophobicContact CB-CD2 4.35Å; H141-Y148 HydrophobicContact CB-CE1 4.09Å; H141-Y148 HydrophobicContact CB-CE2 3.62Å; H141-Y148 VanDerWaalsContact CB-CZ 3.47Å; H141-Y148 WeakPolarHBondContact CB-OH 3.48Å; H141-Y148 AromaticContact CD2-CE1 3.15Å; H141-Y148 WeakPolarHBondContact CD2-CE1 3.34Å; H141-Y148 AromaticContact CD2-CZ 3.28Å; H141-Y148 PolarHBondContact CD2-OH 3.35Å; H141-Y148 AromaticContact CG-CE1 3.75Å; H141-Y148 AromaticContact CG-CZ 3.34Å; H141-Y148 PolarHBondContact ND1-OH 2.63Å; H141-Y148 AromaticContact NE2-CE1 3.83Å; H142-Y148 WeakPolarHBondContact O-CA 3.24Å
149	K	87.5	Confident	86.4	Confident	141 Å²	141	67.9 Å²	67.9	61%	0.613	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.2	129	-178.4	-173.3	178	177.3	-177.6	0	111.4	H141 H142 I151	H141-K149 CarbonylContact C-O 3.48Å; H141-K149 WeakPolarHBondContact CA-O 3.33Å; H142-K149 PolarHBondContact N-O 3.23Å; H142-K149 PolarHBondContact O-N 3.49Å; K149-I151 HydrophobicContact CB-CD1 4.34Å; K149-I151 HydrophobicContact CD-CD1 3.95Å; K149-I151 HydrophobicContact CG-CD1 3.97Å
150	E	88.7	Confident	86.4	Confident	104 Å²	104	67.6 Å²	67.6	49%	0.486	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	127.4	167.1	-170.2	-179.1	150.6	0	0	109.8	H141 S153	H141-E150 WeakPolarHBondContact CD2-CA 3.13Å; H141-E150 VanDerWaalsContact CD2-CB 3.49Å; H141-E150 WeakPolarHBondContact CD2-CB 3.22Å; H141-E150 IonicContact NE2-OE2 3.51Å; E150-S153 WeakPolarHBondContact OE1-CA 3.45Å; E150-S153 VanDerWaalsContact OE1-CB 3.28Å; E150-S153 WeakPolarHBondContact OE1-CB 3.31Å
151	I	89.8	Confident	86.6	Confident	55 Å²	55	68.1 Å²	68.1	28%	0.282	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	-42.4	-177	-56.4	-65.6	0	0	0	110.3	C121 C140 H142 K149	C121-I151 HydrophobicContact CB-CG2 4.45Å; C140-I151 PolarHBondContact O-N 2.97Å; H142-I151 HydrophobicContact CB-CD1 4.38Å; H142-I151 HydrophobicContact CB-CG1 4.13Å; H142-I151 WeakPolarHBondContact ND1-CD1 3.38Å; K149-I151 HydrophobicContact CB-CD1 4.34Å; K149-I151 HydrophobicContact CD-CD1 3.95Å; K149-I151 HydrophobicContact CG-CD1 3.97Å
152	Y	91	Very high	86.9	Confident	61 Å²	61	69 Å²	69	24%	0.239	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.6	174.1	-60.1	-69	0	0	0	109	C121 E123 S139 C140	C121-Y152 HydrophobicContact CB-CD2 3.71Å; C121-Y152 HydrophobicContact CB-CE2 3.66Å; E123-Y152 WeakPolarHBondContact CA-OH 3.28Å; E123-Y152 HydrophobicContact CB-CE1 4.46Å; E123-Y152 WeakPolarHBondContact CB-OH 3.36Å; E123-Y152 HydrophobicContact CG-CE1 4.14Å; S139-Y152 CarbonylContact C-O 3.54Å; S139-Y152 WeakPolarHBondContact CA-O 3.33Å; S139-Y152 WeakPolarHBondContact CB-O 3.38Å; C140-Y152 HydrophobicContact CB-CD2 4.41Å; C140-Y152 PolarHBondContact N-O 3.21Å; C140-Y152 PolarHBondContact O-N 2.77Å
153	S	91.3	Very high	87.3	Confident	80 Å²	80	67.5 Å²	67.5	56%	0.559	35%	0.352	S	S	*	.			trans	-72	156.1	174.3	63.1	0	0	0	0	111.8	E150	E150-S153 WeakPolarHBondContact OE1-CA 3.45Å; E150-S153 VanDerWaalsContact OE1-CB 3.28Å; E150-S153 WeakPolarHBondContact OE1-CB 3.31Å
154	E	89.7	Confident	88.1	Confident	108 Å²	108	65.1 Å²	65.1	51%	0.505	34%	0.341	S	S	.	.			trans	-63.7	135.7	176.1	-174.2	166	83.1	0	0	111.4	H95	H95-E154 VanDerWaalsContact CD2-CG 3.46Å; H95-E154 WeakPolarHBondContact CD2-CG 3.5Å; H95-E154 IonicContact CE1-OE1 3.93Å; H95-E154 IonicContact CE1-OE2 3.64Å; H95-E154 IonicContact ND1-OE2 2.68Å; H95-E154 WeakPolarHBondContact NE2-CG 3.46Å; H95-E154 IonicContact NE2-OE1 2.66Å; H95-E154 IonicContact NE2-OE2 2.97Å
155	G	92	Very high	89.1	Confident	19 Å²	19	61.7 Å²	61.7	20%	0.196	32%	0.324	C	S	.	.			trans	-75.4	178.9	173.6	0	0	0	0	0	112.9	H95 K135 L137 G157	H95-G155 PolarHBondContact NE2-O 3.39Å; K135-G155 CarbonylContact O-C 3.55Å; K135-G155 VanDerWaalsContact O-C 3.31Å; K135-G155 WeakPolarHBondContact O-CA 3.08Å; L137-G155 PolarHBondContact O-N 3.35Å; G155-G157 PolarHBondContact O-N 2.75Å; G155-G157 VanDerWaalsContact O-N 3.15Å
156	S	92.9	Very high	89.9	Confident	87 Å²	87	54.3 Å²	54.3	61%	0.608	28%	0.284	S	S	*	.			trans	-61.9	-20.8	173.7	60.8	0	0	0	0	113.7	A93 K135	A93-S156 VanDerWaalsContact CB-O 3.29Å; A93-S156 WeakPolarHBondContact CB-O 3.14Å; K135-S156 PolarHBondContact O-N 2.99Å; K135-S156 PolarHBondContact O-OG 3.18Å
157	G	91.5	Very high	90.9	Very high	6 Å²	6	47 Å²	47	6%	0.062	25%	0.245	C	C	.	.			trans	69.7	175.4	-173	0	0	0	0	0	112.6	I94 H95 K135 G155	I94-G157 CarbonylContact O-C 3.51Å; I94-G157 WeakPolarHBondContact O-CA 3.23Å; H95-G157 VanDerWaalsContact CD2-CA 3.49Å; H95-G157 WeakPolarHBondContact CD2-CA 3.41Å; H95-G157 WeakPolarHBondContact NE2-CA 3.46Å; H95-G157 PolarHBondContact NE2-N 3.28Å; K135-G157 PolarHBondContact O-N 2.95Å; G155-G157 PolarHBondContact O-N 2.75Å; G155-G157 VanDerWaalsContact O-N 3.15Å
158	L	91.5	Very high	91.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-88.8	127.2	174.5	-166.5	72.3	0	0	0	108.7	I53 A93 I94 F96 Y136 Q162 L164 I193	I53-L158 HydrophobicContact CG1-CD1 4.32Å; A93-L158 CarbonylContact C-O 3.31Å; A93-L158 VanDerWaalsContact CA-O 3.3Å; A93-L158 WeakPolarHBondContact CA-O 3.32Å; I94-L158 HydrophobicContact CB-CB 4.32Å; I94-L158 PolarHBondContact N-O 3.36Å; I94-L158 WeakPolarHBondContact O-CB 3.09Å; I94-L158 PolarHBondContact O-N 3.41Å; F96-L158 HydrophobicContact CE2-CD2 4.49Å; F96-L158 HydrophobicContact CZ-CD2 4.27Å; Y136-L158 HydrophobicContact CD1-CB 4.22Å; Y136-L158 HydrophobicContact CD1-CD1 4.04Å; Y136-L158 HydrophobicContact CE1-CD1 3.8Å; L158-Q162 HydrophobicContact CD1-CB 3.53Å; L158-Q162 HydrophobicContact CD1-CG 4.47Å; L158-Q162 HydrophobicContact CD2-CB 4.44Å; L158-Q162 WeakPolarHBondContact CD2-O 3.48Å; L158-Q162 HydrophobicContact CG-CB 3.64Å; L158-L164 HydrophobicContact CD1-CB 4.3Å; L158-L164 HydrophobicContact CD2-CB 4.22Å; L158-I193 HydrophobicContact CD2-CB 4.44Å
159	A	91.8	Very high	91.3	Very high	29 Å²	29	35.9 Å²	35.9	24%	0.24	20%	0.197	C	C	.	.			trans	-64.6	152.1	177.3	0	0	0	0	0	111.2	N161 Q162	A159-N161 VanDerWaalsContact CB-OD1 3.29Å; A159-N161 WeakPolarHBondContact CB-OD1 3.44Å; A159-N161 PolarHBondContact O-N 2.91Å; A159-Q162 HydrophobicContact CB-CB 4.38Å; A159-Q162 HydrophobicContact CB-CG 3.94Å; A159-Q162 WeakPolarHBondContact O-CB 3.21Å; A159-Q162 PolarHBondContact O-N 3.07Å
160	P	89.7	Confident	90	Very high	15 Å²	15	33.8 Å²	33.8	10%	0.097	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-24.5	-179.6	-30.4	36.6	0	0	0	115.9	S90 K92 R191	S90-P160 WeakPolarHBondContact O-CB 3.47Å; S90-P160 WeakPolarHBondContact O-CG 3.39Å; K92-P160 VanDerWaalsContact O-CG 3.28Å; K92-P160 WeakPolarHBondContact O-CG 3.5Å; P160-R191 PolarHBondContact O-NE 3.3Å; P160-R191 PolarHBondContact O-NH2 3.16Å
161	N	92.7	Very high	88.9	Confident	16 Å²	16	31.5 Å²	31.5	9%	0.086	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-2.5	176.4	68.2	-50.2	0	0	0	113.5	N47 Q49 Q51 V86 A159	N47-N161 WeakPolarHBondContact O-CB 3.27Å; Q49-N161 WeakPolarHBondContact O-CB 3.41Å; Q49-N161 PolarHBondContact O-ND2 2.95Å; Q51-N161 PolarHBondContact N-O 3.32Å; V86-N161 HydrophobicContact CB-CB 4.46Å; V86-N161 HydrophobicContact CG2-CB 4.42Å; A159-N161 VanDerWaalsContact CB-OD1 3.29Å; A159-N161 WeakPolarHBondContact CB-OD1 3.44Å; A159-N161 PolarHBondContact O-N 2.91Å
162	Q	94.8	Very high	87.4	Confident	30 Å²	30	32.9 Å²	32.9	14%	0.14	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	137.1	-177.6	-75.5	172.6	-14.7	0	0	112.9	Q51 I53 L158 A159 R191	Q51-Q162 HydrophobicContact CB-CG 3.86Å; Q51-Q162 HydrophobicContact CG-CG 4.12Å; Q51-Q162 CarbonylContact O-C 3.52Å; Q51-Q162 WeakPolarHBondContact O-CA 3.49Å; I53-Q162 HydrophobicContact CG1-CB 4.46Å; I53-Q162 HydrophobicContact CG1-CG 4.39Å; L158-Q162 HydrophobicContact CD1-CB 3.53Å; L158-Q162 HydrophobicContact CD1-CG 4.47Å; L158-Q162 HydrophobicContact CD2-CB 4.44Å; L158-Q162 WeakPolarHBondContact CD2-O 3.48Å; L158-Q162 HydrophobicContact CG-CB 3.64Å; A159-Q162 HydrophobicContact CB-CB 4.38Å; A159-Q162 HydrophobicContact CB-CG 3.94Å; A159-Q162 WeakPolarHBondContact O-CB 3.21Å; A159-Q162 PolarHBondContact O-N 3.07Å; Q162-R191 VanDerWaalsContact C-NH2 3.25Å; Q162-R191 PolarHBondContact O-NH1 3.24Å; Q162-R191 PolarHBondContact O-NH2 2.82Å
163	L	95.8	Very high	85.7	Confident	0 Å²	0	31 Å²	31	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.9	171.7	167.6	60.5	0	0	0	108	L50 Q51 I52 I53 I165 I193 I225 L226	L50-L163 HydrophobicContact CD1-CB 4.25Å; Q51-L163 PolarHBondContact O-N 3.14Å; I52-L163 WeakPolarHBondContact CA-O 3.33Å; I52-L163 HydrophobicContact CG1-CB 4.45Å; I52-L163 HydrophobicContact CG1-CD2 4.34Å; I53-L163 PolarHBondContact N-O 3.16Å; L163-I165 HydrophobicContact CD2-CD1 4.07Å; L163-I165 HydrophobicContact CD2-CG1 4.16Å; L163-I165 HydrophobicContact CG-CD1 4.39Å; L163-I165 HydrophobicContact CG-CG1 3.95Å; L163-I193 VanDerWaalsContact CD1-C 3.49Å; L163-I225 HydrophobicContact CD1-CG2 4.11Å; L163-I225 HydrophobicContact CD2-CG2 3.98Å; L163-L226 HydrophobicContact CD2-CD2 3.65Å; L163-L226 HydrophobicContact CD2-CG 4.23Å
164	L	96.3	Very high	83.6	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	124.7	172.9	-175	62.1	0	0	0	109.4	I53 V55 F96 I132 Y136 L158 I193 L194 G195	I53-L164 HydrophobicContact CB-CD1 3.89Å; I53-L164 HydrophobicContact CG2-CD1 3.66Å; V55-L164 HydrophobicContact CB-CD1 4.43Å; V55-L164 HydrophobicContact CG2-CD1 3.63Å; F96-L164 HydrophobicContact CD2-CD2 4.35Å; F96-L164 HydrophobicContact CE2-CD2 3.56Å; F96-L164 HydrophobicContact CZ-CB 4.44Å; F96-L164 HydrophobicContact CZ-CD2 4.11Å; I132-L164 HydrophobicContact CD1-CD2 4.25Å; I132-L164 HydrophobicContact CG2-CD2 4.21Å; Y136-L164 HydrophobicContact CD2-CD2 4.35Å; Y136-L164 HydrophobicContact CE2-CD1 4.29Å; L158-L164 HydrophobicContact CD1-CB 4.3Å; L158-L164 HydrophobicContact CD2-CB 4.22Å; L164-I193 PolarHBondContact N-O 3.28Å; L164-L194 HydrophobicContact CB-CD1 4.06Å; L164-L194 HydrophobicContact CD2-CD1 3.94Å; L164-L194 HydrophobicContact CG-CD1 3.97Å; L164-L194 CarbonylContact O-C 3.54Å; L164-L194 VanDerWaalsContact O-CA 3.24Å; L164-L194 WeakPolarHBondContact O-CA 3.33Å; L164-G195 PolarHBondContact O-N 3.18Å
165	I	96.3	Very high	81.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118.4	172.1	-56.8	-177	0	0	0	108.1	I52 I53 L54 V55 M73 L163 V167 G195 I197 T222 I225	I52-I165 HydrophobicContact CG2-CD1 3.69Å; I52-I165 HydrophobicContact CG2-CG1 4.06Å; I53-I165 PolarHBondContact O-N 3.11Å; L54-I165 HydrophobicContact CD2-CB 3.96Å; L54-I165 HydrophobicContact CD2-CG2 4.42Å; V55-I165 PolarHBondContact N-O 3.19Å; M73-I165 HydrophobicContact CE-CG2 4.23Å; L163-I165 HydrophobicContact CD2-CD1 4.07Å; L163-I165 HydrophobicContact CD2-CG1 4.16Å; L163-I165 HydrophobicContact CG-CD1 4.39Å; L163-I165 HydrophobicContact CG-CG1 3.95Å; I165-V167 HydrophobicContact CG2-CG2 4.16Å; I165-G195 WeakPolarHBondContact CA-O 3.24Å; I165-I197 HydrophobicContact CG2-CB 4.39Å; I165-I197 HydrophobicContact CG2-CG1 3.63Å; I165-T222 HydrophobicContact CD1-CG2 4.09Å; I165-I225 HydrophobicContact CD1-CD1 4.17Å; I165-I225 HydrophobicContact CD1-CG2 4.22Å; I165-I225 HydrophobicContact CG1-CD1 4.43Å; I165-I225 HydrophobicContact CG1-CG2 4.23Å; I165-I225 HydrophobicContact CG2-CD1 3.94Å
166	V	93.9	Very high	79.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.9	171.1	171.2	0	0	0	0	108.2	V55 V130 I132 L194 G195 V196 I197	V55-V166 CarbonylContact O-C 3.53Å; V55-V166 WeakPolarHBondContact O-CA 3.34Å; V130-V166 HydrophobicContact CB-CG1 3.49Å; V130-V166 VanDerWaalsContact CB-CG1 3.49Å; V130-V166 HydrophobicContact CG1-CG1 3.84Å; V130-V166 HydrophobicContact CG2-CG1 3.51Å; I132-V166 HydrophobicContact CD1-CG2 3.62Å; V166-L194 HydrophobicContact CG2-CD1 4.15Å; V166-G195 PolarHBondContact N-O 2.98Å; V166-V196 HydrophobicContact CB-CG2 3.96Å; V166-V196 HydrophobicContact CG1-CG2 4.34Å; V166-V196 CarbonylContact O-C 3.6Å; V166-V196 VanDerWaalsContact O-CA 3.25Å; V166-V196 WeakPolarHBondContact O-CA 3.44Å; V166-I197 PolarHBondContact O-N 3.25Å
167	V	93.3	Very high	77	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	112.3	-175.1	-170.4	0	0	0	0	108.4	L54 V55 Y56 D57 L60 I69 M73 I165 I197 Y199	L54-V167 HydrophobicContact CD2-CG2 4.38Å; V55-V167 PolarHBondContact O-N 2.97Å; Y56-V167 WeakPolarHBondContact CA-O 3.26Å; Y56-V167 HydrophobicContact CD1-CB 3.55Å; Y56-V167 HydrophobicContact CD1-CG1 3.71Å; Y56-V167 HydrophobicContact CD1-CG2 4.07Å; Y56-V167 HydrophobicContact CE1-CB 3.9Å; Y56-V167 HydrophobicContact CE1-CG1 3.84Å; Y56-V167 HydrophobicContact CE1-CG2 3.98Å; Y56-V167 HydrophobicContact CG-CB 4.31Å; D57-V167 PolarHBondContact N-O 2.66Å; L60-V167 HydrophobicContact CD2-CG1 3.81Å; I69-V167 HydrophobicContact CG2-CG1 4.45Å; M73-V167 HydrophobicContact CE-CG2 4.15Å; I165-V167 HydrophobicContact CG2-CG2 4.16Å; V167-I197 WeakPolarHBondContact CA-O 3.37Å; V167-I197 HydrophobicContact CG1-CB 4.42Å; V167-I197 HydrophobicContact CG1-CG2 4.45Å; V167-Y199 HydrophobicContact CG1-CD2 3.95Å; V167-Y199 HydrophobicContact CG1-CE2 3.4Å; V167-Y199 VanDerWaalsContact CG1-CE2 3.4Å
168	T	88.4	Confident	74.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	161	-168.6	-169.9	0	0	0	0	112.9	D57 V196 I197 N198 Y199	D57-T168 PolarHBondContact OD2-OG1 3.47Å; T168-V196 HydrophobicContact CG2-CG1 3.86Å; T168-I197 PolarHBondContact N-O 3.36Å; T168-N198 HydrophobicContact CG2-CB 4.27Å; T168-Y199 WeakPolarHBondContact O-CB 3.46Å; T168-Y199 WeakPolarHBondContact O-CD2 3.44Å; T168-Y199 PolarHBondContact O-N 3.43Å
169	G	77.5	Confident	73	Confident	2 Å²	2	43.2 Å²	43.2	2%	0.021	24%	0.244	C	C	.	.			trans	168.8	176	174.5	0	0	0	0	0	113.3	Y199	G169-Y199 WeakPolarHBondContact CA-O 3.4Å
170	P	61.8	Low	71.9	Confident	97 Å²	97	42.4 Å²	42.4	63%	0.63	24%	0.235	S	C	*	.	S	Bend	cis	-76.4	132.5	-20.6	29.2	-29.7	0	0	0	112.1	K172 Y199	P170-K172 PolarHBondContact O-N 2.92Å; P170-Y199 VanDerWaalsContact CA-O 3.24Å; P170-Y199 WeakPolarHBondContact CA-O 3.36Å
171	C	64.9	Low	71.4	Confident	56 Å²	56	42.1 Å²	42.1	38%	0.378	23%	0.233	S	C	.	.			trans	37.3	59.6	172.7	-54.7	0	0	0	0	117.3	I173 Y199 C200	C171-I173 PolarHBondContact O-N 3.07Å; C171-Y199 PolarHBondContact N-O 3.48Å; C171-Y199 VanDerWaalsContact N-O 3.16Å; C171-C200 WeakPolarHBondContact CA-SG 3.21Å; C171-C200 HydrophobicContact CB-CB 4.42Å; C171-C200 WeakPolarHBondContact CB-SG 3.35Å; C171-C200 WeakPolarHBondContact SG-CA 3.31Å; C171-C200 WeakPolarHBondContact SG-CB 3.44Å; C171-C200 CovalentContact SG-SG 2.03Å; C171-C200 PolarHBondContact SG-SG 3.36Å
172	K	59.3	Low	71	Confident	85 Å²	85	42 Å²	42	37%	0.37	23%	0.233	S	C	.	.			trans	-72.2	-16.5	166.1	-77.2	-175.7	175	175.7	0	113.3	D57 G129 P170 P174	D57-K172 IonicContact OD1-NZ 3.48Å; D57-K172 WeakPolarHBondContact OD2-CE 3.46Å; D57-K172 IonicContact OD2-NZ 3.88Å; D57-K172 PolarHBondContact OD2-NZ 3.36Å; G129-K172 PolarHBondContact O-NZ 2.7Å; P170-K172 PolarHBondContact O-N 2.92Å; K172-P174 WeakPolarHBondContact O-CD 3.42Å
173	I	53.9	Low	70.5	Confident	22 Å²	22	41 Å²	41	11%	0.113	23%	0.231	C	C	.	.	S	Bend	trans	-96.3	112.4	-176.8	-53	177.3	0	0	0	109.3	E128 C171 S175 Y176 V196 N198	E128-I173 HydrophobicContact CG-CD1 4.35Å; C171-I173 PolarHBondContact O-N 3.07Å; I173-S175 VanDerWaalsContact C-N 3.27Å; I173-S175 WeakPolarHBondContact CG2-OG 3.17Å; I173-S175 PolarHBondContact O-N 3.44Å; I173-Y176 HydrophobicContact CB-CD2 3.86Å; I173-Y176 HydrophobicContact CB-CE2 4.33Å; I173-Y176 HydrophobicContact CD1-CE2 4.47Å; I173-Y176 HydrophobicContact CG2-CD2 3.6Å; I173-Y176 HydrophobicContact CG2-CE2 3.76Å; I173-V196 HydrophobicContact CD1-CG1 4.27Å; I173-N198 HydrophobicContact CD1-CB 3.94Å
174	P	47.7	Very low	70.1	Confident	119 Å²	119	43.3 Å²	43.3	77%	0.773	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.7	-171.6	-20.9	32	0	0	0	115.7	K172 Y176	K172-P174 WeakPolarHBondContact O-CD 3.42Å; P174-Y176 PolarHBondContact O-N 3.03Å
175	S	52.5	Low	69.5	Low	77 Å²	77	44.7 Å²	44.7	54%	0.538	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	5.6	-176.7	56.1	0	0	0	0	114.3	I173	I173-S175 VanDerWaalsContact C-N 3.27Å; I173-S175 WeakPolarHBondContact CG2-OG 3.17Å; I173-S175 PolarHBondContact O-N 3.44Å
176	Y	44.7	Very low	68.9	Low	69 Å²	69	47.1 Å²	47.1	27%	0.271	27%	0.267	S	S	.	.			trans	-135.5	67.8	-162.8	-71.9	-49.1	0	0	0	109.7	I173 P174 S178 H180	I173-Y176 HydrophobicContact CB-CD2 3.86Å; I173-Y176 HydrophobicContact CB-CE2 4.33Å; I173-Y176 HydrophobicContact CD1-CE2 4.47Å; I173-Y176 HydrophobicContact CG2-CD2 3.6Å; I173-Y176 HydrophobicContact CG2-CE2 3.76Å; P174-Y176 PolarHBondContact O-N 3.03Å; Y176-S178 PolarHBondContact O-N 2.67Å; Y176-S178 VanDerWaalsContact O-N 3.11Å; Y176-H180 WeakPolarHBondContact CB-CE1 3.46Å; Y176-H180 AromaticContact CD1-CE1 3.14Å; Y176-H180 WeakPolarHBondContact CD1-CE1 3.3Å; Y176-H180 AromaticContact CD1-NE2 3.08Å; Y176-H180 WeakPolarHBondContact CD1-NE2 2.96Å; Y176-H180 AromaticContact CE1-NE2 3.55Å; Y176-H180 AromaticContact CG-CE1 3.32Å; Y176-H180 AromaticContact CG-NE2 3.46Å
177	E	37.7	Very low	68.3	Low	198 Å²	198	50 Å²	50	93%	0.925	28%	0.278	S	S	*	.			trans	-72.9	11.7	174.5	-72	-169.1	159.2	0	0	113.9
178	S	47.5	Very low	67.7	Low	36 Å²	36	53.4 Å²	53.4	25%	0.252	30%	0.299	S	S	.	.	S	Bend	trans	-110.7	148.5	-179.7	-56.9	0	0	0	0	112	Q15 Y176 H180	Q15-S178 WeakPolarHBondContact O-CB 3.45Å; Y176-S178 PolarHBondContact O-N 2.67Å; Y176-S178 VanDerWaalsContact O-N 3.11Å; S178-H180 PolarHBondContact O-N 3.5Å; S178-H180 PolarHBondContact O-ND1 2.83Å
179	I	51.9	Low	66.9	Low	57 Å²	57	58.5 Å²	58.5	29%	0.292	32%	0.319	S	S	.	.	S	Bend	trans	-67.5	109.7	172.6	-64.8	171.4	0	0	0	108.6	V12 S16 C200 L201 E205	V12-I179 HydrophobicContact CG1-CG2 3.88Å; S16-I179 VanDerWaalsContact CA-O 3.31Å; S16-I179 WeakPolarHBondContact CA-O 3.45Å; S16-I179 WeakPolarHBondContact CB-O 3.48Å; S16-I179 PolarHBondContact N-O 3.2Å; I179-C200 VanDerWaalsContact CA-O 3.28Å; I179-C200 WeakPolarHBondContact CA-O 3.49Å; I179-L201 HydrophobicContact CB-CD2 4.49Å; I179-L201 HydrophobicContact CG2-CD2 3.24Å; I179-E205 WeakPolarHBondContact CD1-OE1 3.41Å; I179-E205 WeakPolarHBondContact CG2-OE1 3.31Å; I179-E205 WeakPolarHBondContact CG2-OE2 3.28Å
180	H	69.8	Low	66.9	Low	12 Å²	12	62.4 Å²	62.4	6%	0.056	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	171.9	-173.2	76.4	-93.6	0	0	0	116.7	S16 Y176 S178 S182 C200	S16-H180 WeakPolarHBondContact O-CB 3.37Å; Y176-H180 WeakPolarHBondContact CB-CE1 3.46Å; Y176-H180 AromaticContact CD1-CE1 3.14Å; Y176-H180 WeakPolarHBondContact CD1-CE1 3.3Å; Y176-H180 AromaticContact CD1-NE2 3.08Å; Y176-H180 WeakPolarHBondContact CD1-NE2 2.96Å; Y176-H180 AromaticContact CE1-NE2 3.55Å; Y176-H180 AromaticContact CG-CE1 3.32Å; Y176-H180 AromaticContact CG-NE2 3.46Å; S178-H180 PolarHBondContact O-N 3.5Å; S178-H180 PolarHBondContact O-ND1 2.83Å; H180-S182 PolarHBondContact CD2-OG 3.29Å; H180-S182 PolarHBondContact NE2-OG 3.31Å; H180-C200 PolarHBondContact N-O 3.32Å; H180-C200 CarbonylContact O-C 3.45Å; H180-C200 VanDerWaalsContact O-CA 3.22Å; H180-C200 WeakPolarHBondContact O-CA 3.18Å; H180-C200 WeakPolarHBondContact O-CB 3.49Å; H180-C200 PolarHBondContact O-N 2.99Å
181	I	79.6	Confident	68.3	Low	8 Å²	8	57.9 Å²	57.9	4%	0.041	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.6	163.2	-56.4	166.5	0	0	0	107	I197 N198 Y199 L201 F214 L217 M218 E221	I181-I197 HydrophobicContact CG2-CG2 3.96Å; I181-N198 WeakPolarHBondContact CA-O 3.45Å; I181-Y199 HydrophobicContact CD1-CD1 3.63Å; I181-Y199 HydrophobicContact CD1-CE1 3.51Å; I181-Y199 HydrophobicContact CG1-CD1 3.64Å; I181-Y199 HydrophobicContact CG1-CE1 3.94Å; I181-Y199 HydrophobicContact CG2-CD1 4.08Å; I181-Y199 HydrophobicContact CG2-CE1 3.96Å; I181-L201 HydrophobicContact CD1-CD1 3.56Å; I181-L201 HydrophobicContact CD1-CG 4.26Å; I181-L201 HydrophobicContact CG1-CD1 3.86Å; I181-L201 HydrophobicContact CG1-CG 4.02Å; I181-F214 HydrophobicContact CD1-CE2 3.98Å; I181-L217 HydrophobicContact CB-CD2 4.23Å; I181-L217 HydrophobicContact CD1-CD2 3.49Å; I181-L217 VanDerWaalsContact CD1-CD2 3.49Å; I181-L217 HydrophobicContact CG1-CD2 4.31Å; I181-M218 HydrophobicContact CB-CE 4.39Å; I181-M218 HydrophobicContact CD1-CE 4.16Å; I181-M218 HydrophobicContact CG2-CE 3.61Å; I181-E221 HydrophobicContact CG2-CG 4.2Å
182	S	84	Confident	69.6	Low	14 Å²	14	55.2 Å²	55.2	10%	0.098	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	139.6	-178.8	49.7	0	0	0	0	113	H180 I197 N198 E221	H180-S182 PolarHBondContact CD2-OG 3.29Å; H180-S182 PolarHBondContact NE2-OG 3.31Å; S182-I197 CarbonylContact O-C 3.58Å; S182-I197 WeakPolarHBondContact O-CA 3.43Å; S182-N198 PolarHBondContact N-O 2.74Å; S182-N198 VanDerWaalsContact N-O 3.13Å; S182-N198 PolarHBondContact O-N 3.1Å; S182-E221 WeakPolarHBondContact CA-OE2 3.47Å
183	G	84.2	Confident	71.2	Confident	9 Å²	9	51.2 Å²	51.2	9%	0.093	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	117	172	0	0	0	0	0	112.2	V196 E221	G183-V196 CarbonylContact C-O 3.49Å; G183-V196 WeakPolarHBondContact CA-O 3.43Å; G183-E221 PolarHBondContact N-OE2 2.91Å
184	V	86.3	Confident	73	Confident	49 Å²	49	50.1 Å²	50.1	30%	0.297	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.8	-176.8	-178.1	0	0	0	0	110.9	V186 G195 V196	V184-V186 PolarHBondContact O-N 3.27Å; V184-G195 CarbonylContact O-C 3.59Å; V184-G195 WeakPolarHBondContact O-CA 3.2Å; V184-V196 PolarHBondContact N-O 3.3Å; V184-V196 PolarHBondContact O-N 2.94Å
185	I	84.8	Confident	75.2	Confident	28 Å²	28	44.5 Å²	44.5	14%	0.144	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	116.5	169.2	-57.7	169.7	0	0	0	108.3	T188 P192 H229 I232	I185-T188 HydrophobicContact CG2-CG2 3.67Å; I185-P192 HydrophobicContact CD1-CG 4.05Å; I185-P192 HydrophobicContact CG1-CG 4.37Å; I185-P192 HydrophobicContact CG2-CB 4.14Å; I185-P192 HydrophobicContact CG2-CG 4.27Å; I185-H229 HydrophobicContact CD1-CB 3.97Å; I185-I232 HydrophobicContact CD1-CD1 4.28Å; I185-I232 HydrophobicContact CD1-CG1 3.88Å
186	V	82.5	Confident	77.1	Confident	51 Å²	51	40.9 Å²	40.9	31%	0.309	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-41.7	176.3	-173.8	0	0	0	0	110.8	I127 V184 L194 V196	I127-V186 HydrophobicContact CG2-CG1 4.17Å; V184-V186 PolarHBondContact O-N 3.27Å; V186-L194 HydrophobicContact CB-CB 4.42Å; V186-L194 HydrophobicContact CB-CD2 3.82Å; V186-L194 HydrophobicContact CB-CG 3.88Å; V186-L194 HydrophobicContact CG1-CD2 3.72Å; V186-L194 HydrophobicContact CG1-CG 4.34Å; V186-L194 HydrophobicContact CG2-CG 4.38Å; V186-L194 PolarHBondContact N-O 2.97Å; V186-V196 HydrophobicContact CG2-CB 4.11Å; V186-V196 HydrophobicContact CG2-CG2 3.46Å; V186-V196 VanDerWaalsContact CG2-CG2 3.46Å
187	R	81.3	Confident	79.3	Confident	61 Å²	61	37.6 Å²	37.6	23%	0.23	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	145.3	-179	-61.7	-178.1	179	-123.9	-2	113.4	H33 P192 I193 L194	H33-R187 PolarHBondContact O-NH1 3.29Å; R187-P192 WeakPolarHBondContact O-CA 3.46Å; R187-I193 HydrophobicContact CB-CD1 4.41Å; R187-I193 HydrophobicContact CB-CG1 4.12Å; R187-I193 WeakPolarHBondContact O-CG1 3.19Å; R187-I193 PolarHBondContact O-N 3.23Å; R187-L194 HydrophobicContact CB-CB 4.07Å; R187-L194 HydrophobicContact CG-CD2 4.1Å; R187-L194 PolarHBondContact N-O 3.37Å; R187-L194 VanDerWaalsContact N-O 3.1Å; R187-L194 PolarHBondContact O-N 3.41Å
188	T	80.7	Confident	81.6	Confident	72 Å²	72	28.2 Å²	28.2	44%	0.442	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.2	175.7	60.9	0	0	0	0	111.2	I185 R191 P192 I232	I185-T188 HydrophobicContact CG2-CG2 3.67Å; T188-R191 CarbonylContact C-O 3.56Å; T188-R191 WeakPolarHBondContact CA-O 3.37Å; T188-P192 HydrophobicContact CG2-CG 4.22Å; T188-I232 HydrophobicContact CG2-CD1 3.93Å
189	Y	72.5	Confident	83.4	Confident	107 Å²	107	26.6 Å²	26.6	42%	0.42	14%	0.143	S	C	.	.	S	Bend	trans	-164.2	104.6	166.9	-164.9	-98.6	0	0	0	113.4	I94 R191	I94-Y189 HydrophobicContact CD1-CD1 4.45Å; Y189-R191 PolarHBondContact N-O 2.72Å
190	P	78	Confident	84.7	Confident	83 Å²	83	24.2 Å²	24.2	54%	0.539	13%	0.131	S	C	.	.	S	Bend	cis	-73.4	11	-38	38.6	-39.4	0	0	0	112.7	L88 M328	L88-P190 HydrophobicContact CD1-CG 4.31Å; L88-P190 HydrophobicContact CD2-CG 3.29Å; L88-P190 HydrophobicContact CG-CG 4.37Å; P190-M328 WeakPolarHBondContact O-CE 3.07Å
191	R	90.2	Very high	85.3	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.008	13%	0.132	C	C	.	.	S	Bend	trans	-116.6	166.5	168.2	66.5	167.7	178.5	82.4	3.5	109.9	L88 P160 Q162 T188 Y189 I193 M328	L88-R191 HydrophobicContact CD1-CG 4.12Å; P160-R191 PolarHBondContact O-NE 3.3Å; P160-R191 PolarHBondContact O-NH2 3.16Å; Q162-R191 VanDerWaalsContact C-NH2 3.25Å; Q162-R191 PolarHBondContact O-NH1 3.24Å; Q162-R191 PolarHBondContact O-NH2 2.82Å; T188-R191 CarbonylContact C-O 3.56Å; T188-R191 WeakPolarHBondContact CA-O 3.37Å; Y189-R191 PolarHBondContact N-O 2.72Å; R191-I193 HydrophobicContact CG-CG2 4.42Å; R191-I193 PolarHBondContact O-N 2.92Å; R191-M328 HydrophobicContact CB-CB 4.03Å; R191-M328 HydrophobicContact CB-CG 3.95Å; R191-M328 HydrophobicContact CB-SD 3.61Å
192	P	92.9	Very high	85.3	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	125.2	167.4	-27.8	37.7	0	0	0	111.5	I185 R187 T188 I225 M328	I185-P192 HydrophobicContact CD1-CG 4.05Å; I185-P192 HydrophobicContact CG1-CG 4.37Å; I185-P192 HydrophobicContact CG2-CB 4.14Å; I185-P192 HydrophobicContact CG2-CG 4.27Å; R187-P192 WeakPolarHBondContact O-CA 3.46Å; T188-P192 HydrophobicContact CG2-CG 4.22Å; P192-I225 WeakPolarHBondContact CB-O 3.23Å; P192-I225 VanDerWaalsContact CG-O 3.3Å; P192-I225 WeakPolarHBondContact CG-O 3.25Å; P192-M328 VanDerWaalsContact CD-SD 3.59Å
193	I	92.2	Very high	85.2	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	-16.9	179.6	53.5	162.4	0	0	0	112.3	I94 F96 L158 L163 L164 R187 R191	I94-I193 HydrophobicContact CD1-CD1 4.42Å; I94-I193 HydrophobicContact CD1-CG2 3.87Å; I94-I193 HydrophobicContact CG2-CD1 3.68Å; F96-I193 HydrophobicContact CE1-CD1 4.31Å; L158-I193 HydrophobicContact CD2-CB 4.44Å; L163-I193 VanDerWaalsContact CD1-C 3.49Å; L164-I193 PolarHBondContact N-O 3.28Å; R187-I193 HydrophobicContact CB-CD1 4.41Å; R187-I193 HydrophobicContact CB-CG1 4.12Å; R187-I193 WeakPolarHBondContact O-CG1 3.19Å; R187-I193 PolarHBondContact O-N 3.23Å; R191-I193 HydrophobicContact CG-CG2 4.42Å; R191-I193 PolarHBondContact O-N 2.92Å
194	L	92.5	Very high	85.1	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	124.3	178	178.3	69	0	0	0	108.9	F96 I127 L164 V166 V186 R187	F96-L194 HydrophobicContact CD1-CD2 4.44Å; F96-L194 HydrophobicContact CE1-CB 3.93Å; F96-L194 HydrophobicContact CE1-CD2 3.94Å; F96-L194 HydrophobicContact CE1-CG 4.38Å; F96-L194 HydrophobicContact CZ-CB 4.07Å; F96-L194 HydrophobicContact CZ-CD1 4.27Å; F96-L194 HydrophobicContact CZ-CD2 4.48Å; I127-L194 HydrophobicContact CD1-CD1 4.31Å; I127-L194 HydrophobicContact CD1-CD2 3.3Å; I127-L194 HydrophobicContact CD1-CG 4.42Å; I127-L194 HydrophobicContact CG2-CD2 4.19Å; L164-L194 HydrophobicContact CB-CD1 4.06Å; L164-L194 HydrophobicContact CD2-CD1 3.94Å; L164-L194 HydrophobicContact CG-CD1 3.97Å; L164-L194 CarbonylContact O-C 3.54Å; L164-L194 VanDerWaalsContact O-CA 3.24Å; L164-L194 WeakPolarHBondContact O-CA 3.33Å; V166-L194 HydrophobicContact CG2-CD1 4.15Å; V186-L194 HydrophobicContact CB-CB 4.42Å; V186-L194 HydrophobicContact CB-CD2 3.82Å; V186-L194 HydrophobicContact CB-CG 3.88Å; V186-L194 HydrophobicContact CG1-CD2 3.72Å; V186-L194 HydrophobicContact CG1-CG 4.34Å; V186-L194 HydrophobicContact CG2-CG 4.38Å; V186-L194 PolarHBondContact N-O 2.97Å; R187-L194 HydrophobicContact CB-CB 4.07Å; R187-L194 HydrophobicContact CG-CD2 4.1Å; R187-L194 PolarHBondContact N-O 3.37Å; R187-L194 VanDerWaalsContact N-O 3.1Å; R187-L194 PolarHBondContact O-N 3.41Å
195	G	93.1	Very high	85	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	166	169.1	0	0	0	0	0	112.1	L164 I165 V166 V184	L164-G195 PolarHBondContact O-N 3.18Å; I165-G195 WeakPolarHBondContact CA-O 3.24Å; V166-G195 PolarHBondContact N-O 2.98Å; V184-G195 CarbonylContact O-C 3.59Å; V184-G195 WeakPolarHBondContact O-CA 3.2Å
196	V	91.8	Very high	85	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.012	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.4	173.7	170.8	0	0	0	0	108.5	E128 V166 T168 I173 G183 V184 V186 N198	E128-V196 HydrophobicContact CB-CG2 4.39Å; E128-V196 HydrophobicContact CG-CG1 4.41Å; E128-V196 HydrophobicContact CG-CG2 3.83Å; V166-V196 HydrophobicContact CB-CG2 3.96Å; V166-V196 HydrophobicContact CG1-CG2 4.34Å; V166-V196 CarbonylContact O-C 3.6Å; V166-V196 VanDerWaalsContact O-CA 3.25Å; V166-V196 WeakPolarHBondContact O-CA 3.44Å; T168-V196 HydrophobicContact CG2-CG1 3.86Å; I173-V196 HydrophobicContact CD1-CG1 4.27Å; G183-V196 CarbonylContact C-O 3.49Å; G183-V196 WeakPolarHBondContact CA-O 3.43Å; V184-V196 PolarHBondContact N-O 3.3Å; V184-V196 PolarHBondContact O-N 2.94Å; V186-V196 HydrophobicContact CG2-CB 4.11Å; V186-V196 HydrophobicContact CG2-CG2 3.46Å; V186-V196 VanDerWaalsContact CG2-CG2 3.46Å; V196-N198 HydrophobicContact CG1-CB 4.49Å
197	I	91.5	Very high	85.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	116.2	162.6	-63.9	-74.5	0	0	0	106.9	M73 I165 V166 V167 T168 I181 S182 Y199 M218 E221 I225	M73-I197 HydrophobicContact CE-CG1 3.95Å; M73-I197 HydrophobicContact SD-CG1 4.22Å; M73-I197 HydrophobicContact SD-CG2 4.45Å; I165-I197 HydrophobicContact CG2-CB 4.39Å; I165-I197 HydrophobicContact CG2-CG1 3.63Å; V166-I197 PolarHBondContact O-N 3.25Å; V167-I197 WeakPolarHBondContact CA-O 3.37Å; V167-I197 HydrophobicContact CG1-CB 4.42Å; V167-I197 HydrophobicContact CG1-CG2 4.45Å; T168-I197 PolarHBondContact N-O 3.36Å; I181-I197 HydrophobicContact CG2-CG2 3.96Å; S182-I197 CarbonylContact O-C 3.58Å; S182-I197 WeakPolarHBondContact O-CA 3.43Å; I197-Y199 HydrophobicContact CG2-CD2 4.03Å; I197-Y199 HydrophobicContact CG2-CE2 3.51Å; I197-M218 HydrophobicContact CG2-SD 4.27Å; I197-E221 HydrophobicContact CD1-CB 3.35Å; I197-E221 HydrophobicContact CD1-CG 4.32Å; I197-I225 HydrophobicContact CD1-CD1 3.49Å; I197-I225 VanDerWaalsContact CD1-CD1 3.49Å; I197-I225 HydrophobicContact CG1-CD1 3.67Å
198	N	86.4	Confident	85.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.8	177.3	-178.4	47.5	0	0	0	110.1	T168 I173 I181 S182 V196 C200	T168-N198 HydrophobicContact CG2-CB 4.27Å; I173-N198 HydrophobicContact CD1-CB 3.94Å; I181-N198 WeakPolarHBondContact CA-O 3.45Å; S182-N198 PolarHBondContact N-O 2.74Å; S182-N198 VanDerWaalsContact N-O 3.13Å; S182-N198 PolarHBondContact O-N 3.1Å; V196-N198 HydrophobicContact CG1-CB 4.49Å; N198-C200 PolarHBondContact ND2-SG 2.87Å; N198-C200 VanDerWaalsContact ND2-SG 3.38Å
199	Y	84.8	Confident	85.5	Confident	3 Å²	3	39.1 Å²	39.1	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	123.7	172.6	-73.1	-84.2	0	0	0	109.9	L60 I69 V167 T168 G169 P170 C171 I181 I197 L206 F214 M218	L60-Y199 HydrophobicContact CD2-CD2 4.12Å; I69-Y199 HydrophobicContact CG1-CE1 4.49Å; I69-Y199 HydrophobicContact CG2-CE1 4.47Å; I69-Y199 HydrophobicContact CG2-CE2 3.72Å; V167-Y199 HydrophobicContact CG1-CD2 3.95Å; V167-Y199 HydrophobicContact CG1-CE2 3.4Å; V167-Y199 VanDerWaalsContact CG1-CE2 3.4Å; T168-Y199 WeakPolarHBondContact O-CB 3.46Å; T168-Y199 WeakPolarHBondContact O-CD2 3.44Å; T168-Y199 PolarHBondContact O-N 3.43Å; G169-Y199 WeakPolarHBondContact CA-O 3.4Å; P170-Y199 VanDerWaalsContact CA-O 3.24Å; P170-Y199 WeakPolarHBondContact CA-O 3.36Å; C171-Y199 PolarHBondContact N-O 3.48Å; C171-Y199 VanDerWaalsContact N-O 3.16Å; I181-Y199 HydrophobicContact CD1-CD1 3.63Å; I181-Y199 HydrophobicContact CD1-CE1 3.51Å; I181-Y199 HydrophobicContact CG1-CD1 3.64Å; I181-Y199 HydrophobicContact CG1-CE1 3.94Å; I181-Y199 HydrophobicContact CG2-CD1 4.08Å; I181-Y199 HydrophobicContact CG2-CE1 3.96Å; I197-Y199 HydrophobicContact CG2-CD2 4.03Å; I197-Y199 HydrophobicContact CG2-CE2 3.51Å; Y199-L206 HydrophobicContact CD1-CD2 4.41Å; Y199-F214 HydrophobicContact CD1-CZ 4.44Å; Y199-F214 AromaticContact CE1-CE2 3.53Å; Y199-F214 HydrophobicContact CE1-CE2 3.53Å; Y199-F214 AromaticContact CE1-CZ 3.39Å; Y199-F214 HydrophobicContact CE1-CZ 3.39Å; Y199-F214 AromaticContact CZ-CE2 3.98Å; Y199-F214 AromaticContact CZ-CZ 3.84Å; Y199-M218 HydrophobicContact CE1-CE 4.47Å; Y199-M218 HydrophobicContact CE1-SD 4.38Å; Y199-M218 PolarHBondContact OH-SD 2.99Å
200	C	80.7	Confident	86	Confident	7 Å²	7	37.6 Å²	37.6	5%	0.047	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	39.5	176.2	-86.3	0	0	0	0	110.4	C171 I179 H180 N198	C171-C200 WeakPolarHBondContact CA-SG 3.21Å; C171-C200 HydrophobicContact CB-CB 4.42Å; C171-C200 WeakPolarHBondContact CB-SG 3.35Å; C171-C200 WeakPolarHBondContact SG-CA 3.31Å; C171-C200 WeakPolarHBondContact SG-CB 3.44Å; C171-C200 CovalentContact SG-SG 2.03Å; C171-C200 PolarHBondContact SG-SG 3.36Å; I179-C200 VanDerWaalsContact CA-O 3.28Å; I179-C200 WeakPolarHBondContact CA-O 3.49Å; H180-C200 PolarHBondContact N-O 3.32Å; H180-C200 CarbonylContact O-C 3.45Å; H180-C200 VanDerWaalsContact O-CA 3.22Å; H180-C200 WeakPolarHBondContact O-CA 3.18Å; H180-C200 WeakPolarHBondContact O-CB 3.49Å; H180-C200 PolarHBondContact O-N 2.99Å; N198-C200 PolarHBondContact ND2-SG 2.87Å; N198-C200 VanDerWaalsContact ND2-SG 3.38Å
201	L	80.8	Confident	86.6	Confident	14 Å²	14	37.3 Å²	37.3	7%	0.073	20%	0.196	C	C	.	.			trans	-116.7	142	176.6	-60.5	-175	0	0	0	109.7	V12 I179 I181 E205 L206 I209	V12-L201 HydrophobicContact CG1-CD2 4.09Å; I179-L201 HydrophobicContact CB-CD2 4.49Å; I179-L201 HydrophobicContact CG2-CD2 3.24Å; I181-L201 HydrophobicContact CD1-CD1 3.56Å; I181-L201 HydrophobicContact CD1-CG 4.26Å; I181-L201 HydrophobicContact CG1-CD1 3.86Å; I181-L201 HydrophobicContact CG1-CG 4.02Å; L201-E205 WeakPolarHBondContact CA-OE2 3.44Å; L201-E205 HydrophobicContact CB-CB 4.16Å; L201-E205 HydrophobicContact CD2-CB 4.46Å; L201-L206 HydrophobicContact CB-CD2 4.06Å; L201-L206 HydrophobicContact CB-CG 3.82Å; L201-L206 HydrophobicContact CD1-CD2 3.82Å; L201-L206 HydrophobicContact CD1-CG 4.34Å; L201-I209 HydrophobicContact CD1-CD1 3.53Å
202	D	80.9	Confident	86.4	Confident	84 Å²	84	41.5 Å²	41.5	45%	0.449	22%	0.219	S	C	.	.			trans	-76.1	171.7	168.9	82.2	22.6	0	0	0	111.8	K204 E205 L206	D202-K204 VanDerWaalsContact C-N 3.3Å; D202-K204 PolarHBondContact O-N 3.03Å; D202-K204 WeakPolarHBondContact OD1-CA 3.4Å; D202-K204 WeakPolarHBondContact OD1-CB 2.91Å; D202-K204 PolarHBondContact OD1-N 2.79Å; D202-E205 PolarHBondContact N-OE2 3.19Å; D202-E205 PolarHBondContact O-N 2.86Å; D202-E205 WeakPolarHBondContact OD1-CG 3.34Å; D202-E205 PolarHBondContact OD1-N 2.86Å; D202-L206 WeakPolarHBondContact O-CG 3.24Å; D202-L206 PolarHBondContact O-N 3.09Å
203	E	81.9	Confident	86.1	Confident	81 Å²	81	44 Å²	44	38%	0.379	23%	0.231	S	C	.	.	H	α-helix	trans	-63.3	-34.4	-177.7	-68.9	-179.6	164	0	0	113.1	N63 M65 Q207	N63-E203 PolarHBondContact ND2-OE1 2.95Å; M65-E203 HydrophobicContact CG-CB 4.29Å; M65-E203 HydrophobicContact CG-CG 4.34Å; E203-Q207 VanDerWaalsContact O-CB 3.26Å; E203-Q207 WeakPolarHBondContact O-CB 2.86Å; E203-Q207 PolarHBondContact O-N 3.38Å
204	K	82.4	Confident	86.1	Confident	163 Å²	163	44 Å²	44	71%	0.709	23%	0.231	S	C	*	.	H	α-helix	trans	-70.1	-39.3	-179.9	-66.2	178.6	-179.6	172.9	0	110.7	D202 Q207 A208	D202-K204 VanDerWaalsContact C-N 3.3Å; D202-K204 PolarHBondContact O-N 3.03Å; D202-K204 WeakPolarHBondContact OD1-CA 3.4Å; D202-K204 WeakPolarHBondContact OD1-CB 2.91Å; D202-K204 PolarHBondContact OD1-N 2.79Å; K204-Q207 PolarHBondContact O-N 2.98Å; K204-A208 PolarHBondContact O-N 2.75Å
205	E	83.2	Confident	86.1	Confident	34 Å²	34	46.6 Å²	46.6	16%	0.159	24%	0.242	C	C	.	.	H	α-helix	trans	-66.2	-46.9	176.1	-67.4	172	145.4	0	0	110.9	V12 I179 L201 D202 Q207 A208 I209	V12-E205 HydrophobicContact CG1-CG 4.43Å; I179-E205 WeakPolarHBondContact CD1-OE1 3.41Å; I179-E205 WeakPolarHBondContact CG2-OE1 3.31Å; I179-E205 WeakPolarHBondContact CG2-OE2 3.28Å; L201-E205 WeakPolarHBondContact CA-OE2 3.44Å; L201-E205 HydrophobicContact CB-CB 4.16Å; L201-E205 HydrophobicContact CD2-CB 4.46Å; D202-E205 PolarHBondContact N-OE2 3.19Å; D202-E205 PolarHBondContact O-N 2.86Å; D202-E205 WeakPolarHBondContact OD1-CG 3.34Å; D202-E205 PolarHBondContact OD1-N 2.86Å; E205-Q207 VanDerWaalsContact C-N 3.25Å; E205-Q207 PolarHBondContact O-N 2.92Å; E205-A208 PolarHBondContact O-N 2.86Å; E205-A208 VanDerWaalsContact O-N 3.15Å; E205-I209 WeakPolarHBondContact O-CG1 3.27Å; E205-I209 PolarHBondContact O-N 2.76Å
206	L	84.6	Confident	86.1	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-60.4	-36	173.7	-74.2	170.4	0	0	0	112.1	M65 K68 I69 Y199 L201 D202 F214	M65-L206 HydrophobicContact CB-CB 4.16Å; M65-L206 HydrophobicContact CB-CD1 3.95Å; M65-L206 HydrophobicContact CE-CB 4.17Å; M65-L206 HydrophobicContact CG-CB 3.91Å; M65-L206 HydrophobicContact CG-CD1 4.27Å; K68-L206 PolarHBondContact NZ-O 3.18Å; I69-L206 HydrophobicContact CD1-CD1 4.21Å; Y199-L206 HydrophobicContact CD1-CD2 4.41Å; L201-L206 HydrophobicContact CB-CD2 4.06Å; L201-L206 HydrophobicContact CB-CG 3.82Å; L201-L206 HydrophobicContact CD1-CD2 3.82Å; L201-L206 HydrophobicContact CD1-CG 4.34Å; D202-L206 WeakPolarHBondContact O-CG 3.24Å; D202-L206 PolarHBondContact O-N 3.09Å; L206-F214 HydrophobicContact CD2-CE1 4.22Å; L206-F214 HydrophobicContact CD2-CZ 4.14Å
207	Q	85.5	Confident	86.1	Confident	138 Å²	138	48.2 Å²	48.2	65%	0.645	25%	0.251	S	S	*	.	H	α-helix	trans	-67.3	-37.1	177	-169.9	172.8	25.9	0	0	111.8	M65 K68 E203 K204 E205 I209	M65-Q207 HydrophobicContact CE-CB 4.2Å; M65-Q207 HydrophobicContact SD-CB 4.35Å; K68-Q207 PolarHBondContact NZ-O 3.01Å; E203-Q207 VanDerWaalsContact O-CB 3.26Å; E203-Q207 WeakPolarHBondContact O-CB 2.86Å; E203-Q207 PolarHBondContact O-N 3.38Å; K204-Q207 PolarHBondContact O-N 2.98Å; E205-Q207 VanDerWaalsContact C-N 3.25Å; E205-Q207 PolarHBondContact O-N 2.92Å; Q207-I209 VanDerWaalsContact C-N 3.35Å; Q207-I209 PolarHBondContact O-N 3.09Å
208	A	84.5	Confident	86.3	Confident	74 Å²	74	48.2 Å²	48.2	61%	0.612	25%	0.251	S	S	*	.	H	α-helix	trans	-70.2	-25.1	-179.3	0	0	0	0	0	114.2	K204 E205	K204-A208 PolarHBondContact O-N 2.75Å; E205-A208 PolarHBondContact O-N 2.86Å; E205-A208 VanDerWaalsContact O-N 3.15Å
209	I	84.8	Confident	86.8	Confident	25 Å²	25	48.7 Å²	48.7	13%	0.128	25%	0.253	C	S	.	.	S	Bend	trans	-75.4	131.8	177.7	-60	168	0	0	0	109.7	K68 L201 E205 Q207 Q213 F214	K68-I209 VanDerWaalsContact CE-O 3.26Å; K68-I209 WeakPolarHBondContact CE-O 3.25Å; K68-I209 PolarHBondContact NZ-O 3.43Å; L201-I209 HydrophobicContact CD1-CD1 3.53Å; E205-I209 WeakPolarHBondContact O-CG1 3.27Å; E205-I209 PolarHBondContact O-N 2.76Å; Q207-I209 VanDerWaalsContact C-N 3.35Å; Q207-I209 PolarHBondContact O-N 3.09Å; I209-Q213 HydrophobicContact CG2-CB 3.71Å; I209-F214 HydrophobicContact CG2-CB 3.84Å; I209-F214 HydrophobicContact CG2-CG 4.47Å
210	T	84.4	Confident	87.4	Confident	74 Å²	74	49.3 Å²	49.3	45%	0.454	26%	0.256	S	S	.	.			trans	-70.7	156.3	175.4	64.3	0	0	0	0	112.2	N212 Q213 F214	T210-N212 PolarHBondContact O-N 3.36Å; T210-Q213 PolarHBondContact O-N 3.23Å; T210-Q213 WeakPolarHBondContact OG1-CB 3.35Å; T210-Q213 VanDerWaalsContact OG1-CD 3.28Å; T210-Q213 WeakPolarHBondContact OG1-CG 3.49Å; T210-Q213 PolarHBondContact OG1-N 2.62Å; T210-Q213 PolarHBondContact OG1-OE1 2.9Å; T210-F214 WeakPolarHBondContact O-CB 3.39Å; T210-F214 PolarHBondContact O-N 3.24Å
211	D	88.6	Confident	88.1	Confident	77 Å²	77	49.8 Å²	49.8	41%	0.412	26%	0.257	S	S	.	.	H	α-helix	trans	-54.8	-37.3	176.5	-82.3	6.8	0	0	0	112.8	K68 K71 F215	K68-D211 WeakPolarHBondContact CE-OD1 3.35Å; K71-D211 IonicContact NZ-OD2 3.76Å; K71-D211 PolarHBondContact NZ-OD2 3.48Å; D211-F215 WeakPolarHBondContact O-CB 3.21Å; D211-F215 PolarHBondContact O-N 3.01Å
212	N	86.7	Confident	88.9	Confident	91 Å²	91	49.1 Å²	49.1	49%	0.487	25%	0.254	S	S	.	.	H	α-helix	trans	-70.5	-47.5	178.9	-174.4	62	0	0	0	112.1	T210 F214 F215 I216	T210-N212 PolarHBondContact O-N 3.36Å; N212-F214 PolarHBondContact O-N 3.09Å; N212-F215 WeakPolarHBondContact O-CB 3.46Å; N212-F215 PolarHBondContact O-N 3.35Å; N212-I216 WeakPolarHBondContact O-CG1 3.31Å; N212-I216 PolarHBondContact O-N 3.49Å
213	Q	87.2	Confident	89.7	Confident	53 Å²	53	45.1 Å²	45.1	25%	0.248	23%	0.232	C	C	.	.	H	α-helix	trans	-57.7	-40.8	174.8	-75.7	167.1	-38.9	0	0	111	I209 T210 I216 L217 L309	I209-Q213 HydrophobicContact CG2-CB 3.71Å; T210-Q213 PolarHBondContact O-N 3.23Å; T210-Q213 WeakPolarHBondContact OG1-CB 3.35Å; T210-Q213 VanDerWaalsContact OG1-CD 3.28Å; T210-Q213 WeakPolarHBondContact OG1-CG 3.49Å; T210-Q213 PolarHBondContact OG1-N 2.62Å; T210-Q213 PolarHBondContact OG1-OE1 2.9Å; Q213-I216 PolarHBondContact O-N 3Å; Q213-L217 WeakPolarHBondContact O-CB 3.47Å; Q213-L217 PolarHBondContact O-N 2.94Å; Q213-L309 HydrophobicContact CB-CD2 3.86Å; Q213-L309 HydrophobicContact CG-CD2 4Å
214	F	90.7	Very high	90.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-69.2	-40.1	-179.1	-161.4	-177.2	0	0	0	112.1	K68 I69 A72 I181 Y199 L206 I209 T210 N212 I216 L217 M218	K68-F214 HydrophobicContact CD-CD1 4.14Å; K68-F214 HydrophobicContact CD-CE1 4.48Å; K68-F214 HydrophobicContact CG-CD1 3.89Å; K68-F214 HydrophobicContact CG-CE1 4.17Å; I69-F214 HydrophobicContact CB-CE1 4.4Å; I69-F214 HydrophobicContact CB-CZ 4.31Å; I69-F214 HydrophobicContact CG1-CE1 3.89Å; I69-F214 HydrophobicContact CG1-CZ 3.84Å; A72-F214 HydrophobicContact CB-CB 4.22Å; A72-F214 HydrophobicContact CB-CD1 3.89Å; A72-F214 HydrophobicContact CB-CD2 3.96Å; A72-F214 HydrophobicContact CB-CE1 4.2Å; A72-F214 HydrophobicContact CB-CE2 4.22Å; A72-F214 HydrophobicContact CB-CG 3.75Å; A72-F214 HydrophobicContact CB-CZ 4.33Å; I181-F214 HydrophobicContact CD1-CE2 3.98Å; Y199-F214 HydrophobicContact CD1-CZ 4.44Å; Y199-F214 AromaticContact CE1-CE2 3.53Å; Y199-F214 HydrophobicContact CE1-CE2 3.53Å; Y199-F214 AromaticContact CE1-CZ 3.39Å; Y199-F214 HydrophobicContact CE1-CZ 3.39Å; Y199-F214 AromaticContact CZ-CE2 3.98Å; Y199-F214 AromaticContact CZ-CZ 3.84Å; L206-F214 HydrophobicContact CD2-CE1 4.22Å; L206-F214 HydrophobicContact CD2-CZ 4.14Å; I209-F214 HydrophobicContact CG2-CB 3.84Å; I209-F214 HydrophobicContact CG2-CG 4.47Å; T210-F214 WeakPolarHBondContact O-CB 3.39Å; T210-F214 PolarHBondContact O-N 3.24Å; N212-F214 PolarHBondContact O-N 3.09Å; F214-I216 PolarHBondContact O-N 3.39Å; F214-L217 PolarHBondContact O-N 3.07Å; F214-M218 HydrophobicContact CD2-CE 4.1Å; F214-M218 HydrophobicContact CD2-CG 4Å; F214-M218 HydrophobicContact CE2-CE 3.75Å; F214-M218 HydrophobicContact CE2-CG 3.87Å; F214-M218 HydrophobicContact CE2-SD 3.94Å; F214-M218 WeakPolarHBondContact O-CG 3.43Å; F214-M218 PolarHBondContact O-N 2.96Å
215	F	93.7	Very high	91	Very high	54 Å²	54	33.6 Å²	33.6	24%	0.237	18%	0.181	C	C	.	.	H	α-helix	trans	-55.8	-48.8	170.4	160.1	-113.2	0	0	0	112	A76 D211 N212 L217 M218 Q219	A76-F215 HydrophobicContact CB-CD2 4.35Å; D211-F215 WeakPolarHBondContact O-CB 3.21Å; D211-F215 PolarHBondContact O-N 3.01Å; N212-F215 WeakPolarHBondContact O-CB 3.46Å; N212-F215 PolarHBondContact O-N 3.35Å; F215-L217 PolarHBondContact O-N 2.75Å; F215-M218 PolarHBondContact O-N 2.76Å; F215-Q219 HydrophobicContact CD2-CG 4.14Å; F215-Q219 HydrophobicContact CE2-CG 3.68Å; F215-Q219 HydrophobicContact CZ-CG 3.9Å; F215-Q219 VanDerWaalsContact CZ-NE2 3.28Å; F215-Q219 VanDerWaalsContact CZ-OE1 3.23Å; F215-Q219 WeakPolarHBondContact O-CG 3.49Å; F215-Q219 PolarHBondContact O-N 2.97Å
216	I	92.4	Very high	91.7	Very high	13 Å²	13	32 Å²	32	7%	0.067	17%	0.174	C	C	.	.	H	α-helix	trans	-64.1	-43	-179.3	-62.8	161.6	0	0	0	111	N212 Q213 F214 M218 Q219 H220 L304 L309 T313	N212-I216 WeakPolarHBondContact O-CG1 3.31Å; N212-I216 PolarHBondContact O-N 3.49Å; Q213-I216 PolarHBondContact O-N 3Å; F214-I216 PolarHBondContact O-N 3.39Å; I216-M218 VanDerWaalsContact C-N 3.29Å; I216-M218 PolarHBondContact O-N 3.32Å; I216-Q219 WeakPolarHBondContact O-CA 3.2Å; I216-Q219 WeakPolarHBondContact O-CB 3.41Å; I216-Q219 PolarHBondContact O-N 3.45Å; I216-Q219 VanDerWaalsContact O-N 3.07Å; I216-H220 PolarHBondContact O-N 3.09Å; I216-L304 HydrophobicContact CG2-CD1 3.72Å; I216-L309 HydrophobicContact CB-CD1 3.99Å; I216-L309 HydrophobicContact CG2-CD1 3.34Å; I216-T313 HydrophobicContact CG2-CG2 3.57Å
217	L	92.6	Very high	92.2	Very high	24 Å²	24	31.8 Å²	31.8	13%	0.126	17%	0.173	C	C	.	.	H	α-helix	trans	-59.6	-41.8	175.7	-174.8	61.3	0	0	0	111	I181 Q213 F214 F215 Q219 H220 E221	I181-L217 HydrophobicContact CB-CD2 4.23Å; I181-L217 HydrophobicContact CD1-CD2 3.49Å; I181-L217 VanDerWaalsContact CD1-CD2 3.49Å; I181-L217 HydrophobicContact CG1-CD2 4.31Å; Q213-L217 WeakPolarHBondContact O-CB 3.47Å; Q213-L217 PolarHBondContact O-N 2.94Å; F214-L217 PolarHBondContact O-N 3.07Å; F215-L217 PolarHBondContact O-N 2.75Å; L217-Q219 VanDerWaalsContact C-N 3.32Å; L217-Q219 PolarHBondContact O-N 2.96Å; L217-H220 WeakPolarHBondContact O-CB 3.21Å; L217-H220 PolarHBondContact O-N 3.38Å; L217-E221 WeakPolarHBondContact O-CG 3.38Å; L217-E221 PolarHBondContact O-N 3.01Å
218	M	95.3	Very high	92.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68.6	-30.5	175.5	-67.2	-49.5	90.4	0	0	113	A72 M73 A76 I181 I197 Y199 F214 F215 I216 E221 T222	A72-M218 HydrophobicContact CB-CG 3.85Å; M73-M218 HydrophobicContact CG-CG 4.32Å; M73-M218 HydrophobicContact CG-SD 4.29Å; M73-M218 HydrophobicContact SD-CB 4.06Å; M73-M218 HydrophobicContact SD-CG 3.7Å; M73-M218 HydrophobicContact SD-SD 3.31Å; A76-M218 HydrophobicContact CB-CB 3.55Å; I181-M218 HydrophobicContact CB-CE 4.39Å; I181-M218 HydrophobicContact CD1-CE 4.16Å; I181-M218 HydrophobicContact CG2-CE 3.61Å; I197-M218 HydrophobicContact CG2-SD 4.27Å; Y199-M218 HydrophobicContact CE1-CE 4.47Å; Y199-M218 HydrophobicContact CE1-SD 4.38Å; Y199-M218 PolarHBondContact OH-SD 2.99Å; F214-M218 HydrophobicContact CD2-CE 4.1Å; F214-M218 HydrophobicContact CD2-CG 4Å; F214-M218 HydrophobicContact CE2-CE 3.75Å; F214-M218 HydrophobicContact CE2-CG 3.87Å; F214-M218 HydrophobicContact CE2-SD 3.94Å; F214-M218 WeakPolarHBondContact O-CG 3.43Å; F214-M218 PolarHBondContact O-N 2.96Å; F215-M218 PolarHBondContact O-N 2.76Å; I216-M218 VanDerWaalsContact C-N 3.29Å; I216-M218 PolarHBondContact O-N 3.32Å; M218-E221 HydrophobicContact CE-CG 4.11Å; M218-T222 WeakPolarHBondContact O-CB 3.27Å; M218-T222 PolarHBondContact O-N 3.48Å; M218-T222 PolarHBondContact O-OG1 3.32Å
219	Q	96.8	Very high	93.2	Very high	10 Å²	10	24.4 Å²	24.4	5%	0.047	13%	0.125	C	C	.	.	H	α-helix	trans	-63.2	-44.4	169.8	-70.7	178.5	-66.7	0	0	111.1	A76 Y79 W80 F215 I216 L217 T222 A223 L304	A76-Q219 HydrophobicContact CB-CG 3.87Å; Y79-Q219 HydrophobicContact CD1-CG 4.49Å; Y79-Q219 VanDerWaalsContact CD1-NE2 3.28Å; W80-Q219 PolarHBondContact NE1-O 3.49Å; F215-Q219 HydrophobicContact CD2-CG 4.14Å; F215-Q219 HydrophobicContact CE2-CG 3.68Å; F215-Q219 HydrophobicContact CZ-CG 3.9Å; F215-Q219 VanDerWaalsContact CZ-NE2 3.28Å; F215-Q219 VanDerWaalsContact CZ-OE1 3.23Å; F215-Q219 WeakPolarHBondContact O-CG 3.49Å; F215-Q219 PolarHBondContact O-N 2.97Å; I216-Q219 WeakPolarHBondContact O-CA 3.2Å; I216-Q219 WeakPolarHBondContact O-CB 3.41Å; I216-Q219 PolarHBondContact O-N 3.45Å; I216-Q219 VanDerWaalsContact O-N 3.07Å; L217-Q219 VanDerWaalsContact C-N 3.32Å; L217-Q219 PolarHBondContact O-N 2.96Å; Q219-T222 PolarHBondContact O-N 3.25Å; Q219-A223 WeakPolarHBondContact O-CB 3.26Å; Q219-A223 PolarHBondContact O-N 2.75Å; Q219-L304 HydrophobicContact CB-CD1 3.96Å; Q219-L304 HydrophobicContact CB-CD2 4.09Å
220	H	96.6	Very high	93.5	Very high	16 Å²	16	24.8 Å²	24.8	7%	0.074	13%	0.129	C	C	.	.	H	α-helix	trans	-60.3	-54.9	177.9	-179.4	108.9	0	0	0	111.5	I216 L217 T222 A223 H224 H294 L304	I216-H220 PolarHBondContact O-N 3.09Å; L217-H220 WeakPolarHBondContact O-CB 3.21Å; L217-H220 PolarHBondContact O-N 3.38Å; H220-T222 VanDerWaalsContact C-N 3.28Å; H220-T222 PolarHBondContact O-N 2.93Å; H220-A223 WeakPolarHBondContact O-CA 3.29Å; H220-A223 WeakPolarHBondContact O-CB 3.45Å; H220-A223 PolarHBondContact O-N 3.15Å; H220-H224 AromaticContact CD2-CD2 3.61Å; H220-H224 AromaticContact CD2-NE2 3.7Å; H220-H224 AromaticContact CE1-NE2 4Å; H220-H224 AromaticContact NE2-CD2 3.55Å; H220-H224 AromaticContact NE2-NE2 3.11Å; H220-H224 PolarHBondContact NE2-NE2 2.77Å; H220-H224 VanDerWaalsContact NE2-NE2 3.11Å; H220-H224 PolarHBondContact O-N 2.82Å; H220-H224 VanDerWaalsContact O-N 3.16Å; H220-H294 AromaticContact CE1-CD2 3.61Å; H220-H294 AromaticContact NE2-CD2 3.53Å; H220-H294 AromaticContact NE2-NE2 3.63Å; H220-L304 HydrophobicContact CB-CD1 4.05Å; H220-L304 HydrophobicContact CB-CG 4.35Å; H220-L304 PolarHBondContact ND1-O 3.35Å
221	E	95.8	Very high	93.8	Very high	16 Å²	16	23.1 Å²	23.1	8%	0.075	12%	0.121	C	C	.	.	H	α-helix	trans	-64.9	-34.6	-178.9	-60.1	-45.8	141.4	0	0	112.5	I181 S182 G183 I197 L217 M218 A223 H224 I225	I181-E221 HydrophobicContact CG2-CG 4.2Å; S182-E221 WeakPolarHBondContact CA-OE2 3.47Å; G183-E221 PolarHBondContact N-OE2 2.91Å; I197-E221 HydrophobicContact CD1-CB 3.35Å; I197-E221 HydrophobicContact CD1-CG 4.32Å; L217-E221 WeakPolarHBondContact O-CG 3.38Å; L217-E221 PolarHBondContact O-N 3.01Å; M218-E221 HydrophobicContact CE-CG 4.11Å; E221-A223 VanDerWaalsContact C-N 3.29Å; E221-A223 PolarHBondContact O-N 2.78Å; E221-H224 PolarHBondContact O-N 2.88Å; E221-H224 IonicContact OE2-CD2 2.76Å; E221-I225 WeakPolarHBondContact O-CG1 3.27Å; E221-I225 PolarHBondContact O-N 3.23Å; E221-I225 VanDerWaalsContact O-N 3.1Å
222	T	97.3	Very high	94.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66.4	-33.3	173.7	-56.7	0	0	0	0	111.2	I52 W80 I165 M218 Q219 H220 I225 L226	I52-T222 HydrophobicContact CD1-CG2 3.98Å; W80-T222 HydrophobicContact CG-CG2 4.12Å; I165-T222 HydrophobicContact CD1-CG2 4.09Å; M218-T222 WeakPolarHBondContact O-CB 3.27Å; M218-T222 PolarHBondContact O-N 3.48Å; M218-T222 PolarHBondContact O-OG1 3.32Å; Q219-T222 PolarHBondContact O-N 3.25Å; H220-T222 VanDerWaalsContact C-N 3.28Å; H220-T222 PolarHBondContact O-N 2.93Å; T222-I225 PolarHBondContact O-N 3.16Å; T222-L226 HydrophobicContact CG2-CD1 3.9Å; T222-L226 HydrophobicContact CG2-CG 4.22Å; T222-L226 WeakPolarHBondContact O-CB 3.12Å; T222-L226 WeakPolarHBondContact O-CD1 3.41Å; T222-L226 WeakPolarHBondContact O-CG 3.29Å; T222-L226 PolarHBondContact O-N 3.38Å
223	A	97.7	Very high	94.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.4	-40.9	175.4	0	0	0	0	0	112.1	W80 Q219 H220 E221 L226 G227 L228 M305 F323	W80-A223 HydrophobicContact CH2-CB 4.17Å; W80-A223 HydrophobicContact CZ2-CB 3.6Å; Q219-A223 WeakPolarHBondContact O-CB 3.26Å; Q219-A223 PolarHBondContact O-N 2.75Å; H220-A223 WeakPolarHBondContact O-CA 3.29Å; H220-A223 WeakPolarHBondContact O-CB 3.45Å; H220-A223 PolarHBondContact O-N 3.15Å; E221-A223 VanDerWaalsContact C-N 3.29Å; E221-A223 PolarHBondContact O-N 2.78Å; A223-L226 PolarHBondContact O-N 2.73Å; A223-G227 PolarHBondContact O-N 3.41Å; A223-L228 PolarHBondContact O-N 3.2Å; A223-L228 VanDerWaalsContact O-N 3.15Å; A223-M305 HydrophobicContact CB-CE 4.14Å; A223-M305 HydrophobicContact CB-SD 3.41Å; A223-M305 WeakPolarHBondContact CB-SD 3.14Å; A223-F323 HydrophobicContact CB-CZ 3.97Å
224	H	96.1	Very high	94.8	Very high	3 Å²	3	15.2 Å²	15.2	1%	0.014	8%	0.08	C	C	.	.	H	α-helix	trans	-58.1	-50.5	170.7	-78.3	-48.9	0	0	0	111.2	H220 E221 L226 G227 L228 H294 M305	H220-H224 AromaticContact CD2-CD2 3.61Å; H220-H224 AromaticContact CD2-NE2 3.7Å; H220-H224 AromaticContact CE1-NE2 4Å; H220-H224 AromaticContact NE2-CD2 3.55Å; H220-H224 AromaticContact NE2-NE2 3.11Å; H220-H224 PolarHBondContact NE2-NE2 2.77Å; H220-H224 VanDerWaalsContact NE2-NE2 3.11Å; H220-H224 PolarHBondContact O-N 2.82Å; H220-H224 VanDerWaalsContact O-N 3.16Å; E221-H224 PolarHBondContact O-N 2.88Å; E221-H224 IonicContact OE2-CD2 2.76Å; H224-L226 VanDerWaalsContact C-N 3.28Å; H224-L226 PolarHBondContact O-N 2.88Å; H224-G227 PolarHBondContact O-N 3.49Å; H224-G227 VanDerWaalsContact O-N 3.09Å; H224-L228 PolarHBondContact ND1-O 3.1Å; H224-H294 AromaticContact CE1-CD2 3.86Å; H224-H294 AromaticContact NE2-CD2 3.49Å; H224-H294 PolarHBondContact NE2-CD2 2.84Å; H224-H294 AromaticContact NE2-NE2 3.41Å; H224-H294 PolarHBondContact NE2-NE2 2.94Å; H224-M305 VanDerWaalsContact CE1-CE 3.43Å; H224-M305 WeakPolarHBondContact CE1-CE 3.18Å
225	I	96.1	Very high	94.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60	-37.5	177.3	-67.2	173.4	0	0	0	112	L163 I165 P192 I197 E221 T222 G227	L163-I225 HydrophobicContact CD1-CG2 4.11Å; L163-I225 HydrophobicContact CD2-CG2 3.98Å; I165-I225 HydrophobicContact CD1-CD1 4.17Å; I165-I225 HydrophobicContact CD1-CG2 4.22Å; I165-I225 HydrophobicContact CG1-CD1 4.43Å; I165-I225 HydrophobicContact CG1-CG2 4.23Å; I165-I225 HydrophobicContact CG2-CD1 3.94Å; P192-I225 WeakPolarHBondContact CB-O 3.23Å; P192-I225 VanDerWaalsContact CG-O 3.3Å; P192-I225 WeakPolarHBondContact CG-O 3.25Å; I197-I225 HydrophobicContact CD1-CD1 3.49Å; I197-I225 VanDerWaalsContact CD1-CD1 3.49Å; I197-I225 HydrophobicContact CG1-CD1 3.67Å; E221-I225 WeakPolarHBondContact O-CG1 3.27Å; E221-I225 PolarHBondContact O-N 3.23Å; E221-I225 VanDerWaalsContact O-N 3.1Å; T222-I225 PolarHBondContact O-N 3.16Å; I225-G227 PolarHBondContact O-N 3.17Å
226	L	97.3	Very high	94.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-68.6	-18	-180	-77.1	164.7	0	0	0	113.3	L50 W80 L84 L163 T222 A223 H224 F323 Y329	L50-L226 HydrophobicContact CD1-CD2 4.43Å; L50-L226 HydrophobicContact CD2-CD2 3.67Å; W80-L226 HydrophobicContact CB-CD1 3.86Å; W80-L226 HydrophobicContact CD2-CD1 3.49Å; W80-L226 VanDerWaalsContact CD2-CD1 3.49Å; W80-L226 HydrophobicContact CE3-CD1 3.81Å; W80-L226 HydrophobicContact CG-CD1 3.52Å; L84-L226 HydrophobicContact CD1-CD1 3.87Å; L84-L226 HydrophobicContact CD1-CD2 4.22Å; L163-L226 HydrophobicContact CD2-CD2 3.65Å; L163-L226 HydrophobicContact CD2-CG 4.23Å; T222-L226 HydrophobicContact CG2-CD1 3.9Å; T222-L226 HydrophobicContact CG2-CG 4.22Å; T222-L226 WeakPolarHBondContact O-CB 3.12Å; T222-L226 WeakPolarHBondContact O-CD1 3.41Å; T222-L226 WeakPolarHBondContact O-CG 3.29Å; T222-L226 PolarHBondContact O-N 3.38Å; A223-L226 PolarHBondContact O-N 2.73Å; H224-L226 VanDerWaalsContact C-N 3.28Å; H224-L226 PolarHBondContact O-N 2.88Å; L226-F323 HydrophobicContact CB-CD1 4.36Å; L226-F323 HydrophobicContact CB-CE1 3.56Å; L226-F323 HydrophobicContact CB-CZ 4.19Å; L226-Y329 HydrophobicContact CD2-CE1 4.38Å; L226-Y329 VanDerWaalsContact O-CE2 3.31Å; L226-Y329 WeakPolarHBondContact O-CE2 3.35Å; L226-Y329 PolarHBondContact O-OH 3.26Å
227	G	95.6	Very high	94.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	141.5	-5.9	167.7	0	0	0	0	0	115.2	A223 H224 I225 H229 I232 Y322	A223-G227 PolarHBondContact O-N 3.41Å; H224-G227 PolarHBondContact O-N 3.49Å; H224-G227 VanDerWaalsContact O-N 3.09Å; I225-G227 PolarHBondContact O-N 3.17Å; G227-H229 PolarHBondContact O-N 2.89Å; G227-I232 VanDerWaalsContact O-CB 3.27Å; G227-I232 WeakPolarHBondContact O-CB 3.27Å; G227-I232 VanDerWaalsContact O-CG1 3.26Å; G227-I232 WeakPolarHBondContact O-CG1 3.24Å; G227-Y322 PolarHBondContact O-OH 3.11Å
228	L	96.4	Very high	95	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.132	C	C	.	.			trans	-73.6	75.4	-179.5	-157.2	166.1	0	0	0	110.5	A223 H224 Y233 F295 M305 T319 Y322 F323	A223-L228 PolarHBondContact O-N 3.2Å; A223-L228 VanDerWaalsContact O-N 3.15Å; H224-L228 PolarHBondContact ND1-O 3.1Å; L228-Y233 HydrophobicContact CD2-CE1 4.34Å; L228-F295 HydrophobicContact CD1-CZ 4.16Å; L228-F295 HydrophobicContact CD2-CE1 4.48Å; L228-M305 HydrophobicContact CD1-CB 4.34Å; L228-M305 HydrophobicContact CD1-CE 4.11Å; L228-M305 HydrophobicContact CD1-CG 3.6Å; L228-M305 HydrophobicContact CD1-SD 4.14Å; L228-M305 HydrophobicContact CD2-CE 4.06Å; L228-M305 HydrophobicContact CG-CE 4.44Å; L228-T319 HydrophobicContact CD1-CG2 4.32Å; L228-Y322 HydrophobicContact CB-CD1 3.93Å; L228-Y322 HydrophobicContact CB-CE1 3.55Å; L228-Y322 HydrophobicContact CD1-CD1 3.87Å; L228-Y322 HydrophobicContact CD1-CE1 4.31Å; L228-Y322 HydrophobicContact CD1-CG 4.17Å; L228-Y322 HydrophobicContact CG-CD1 3.7Å; L228-Y322 HydrophobicContact CG-CD2 4.38Å; L228-Y322 HydrophobicContact CG-CE1 3.65Å; L228-Y322 HydrophobicContact CG-CE2 4.32Å; L228-Y322 HydrophobicContact CG-CG 4.11Å; L228-F323 HydrophobicContact CB-CE1 4.44Å; L228-F323 HydrophobicContact CB-CZ 4.17Å; L228-F323 HydrophobicContact CD1-CZ 4.46Å
229	H	94.2	Very high	94.9	Very high	55 Å²	55	32.1 Å²	32.1	26%	0.255	16%	0.155	S	C	.	.	S	Bend	trans	-156.3	147.8	-174.1	-174	-94.6	0	0	0	110.3	I185 G227 S231 I232 Y233	I185-H229 HydrophobicContact CD1-CB 3.97Å; G227-H229 PolarHBondContact O-N 2.89Å; H229-S231 WeakPolarHBondContact ND1-CB 3.14Å; H229-S231 PolarHBondContact ND1-N 2.78Å; H229-S231 VanDerWaalsContact ND1-N 3.2Å; H229-S231 PolarHBondContact ND1-OG 2.69Å; H229-S231 PolarHBondContact O-N 3.02Å; H229-S231 VanDerWaalsContact O-N 3.1Å; H229-I232 PolarHBondContact O-N 3.02Å; H229-Y233 WeakPolarHBondContact O-CD1 3.47Å; H229-Y233 WeakPolarHBondContact O-CE1 3.18Å; H229-Y233 PolarHBondContact O-N 2.92Å; H229-Y233 VanDerWaalsContact O-N 3.16Å
230	P	92.7	Very high	94.7	Very high	34 Å²	34	35.3 Å²	35.3	22%	0.221	18%	0.178	C	C	.	.	H	α-helix	trans	-54.1	-32.8	-179	-24.6	27.3	0	0	0	114.3	I232 Y233 D234 I293	P230-I232 PolarHBondContact O-N 3.01Å; P230-Y233 HydrophobicContact CB-CE2 4.06Å; P230-Y233 VanDerWaalsContact CD-OH 3.29Å; P230-Y233 WeakPolarHBondContact CD-OH 3.29Å; P230-Y233 HydrophobicContact CG-CE1 4.42Å; P230-Y233 HydrophobicContact CG-CE2 4.12Å; P230-Y233 VanDerWaalsContact CG-OH 3.28Å; P230-Y233 WeakPolarHBondContact CG-OH 3.26Å; P230-Y233 VanDerWaalsContact N-CE1 3.33Å; P230-D234 HydrophobicContact CB-CB 4.28Å; P230-D234 CarbonylContact O-C 3.6Å; P230-D234 VanDerWaalsContact O-CA 3.25Å; P230-D234 WeakPolarHBondContact O-CA 3.5Å; P230-D234 VanDerWaalsContact O-CB 3.23Å; P230-D234 WeakPolarHBondContact O-CB 3.48Å; P230-D234 PolarHBondContact O-N 2.83Å; P230-I293 HydrophobicContact CG-CB 4.29Å; P230-I293 HydrophobicContact CG-CG2 3.65Å
231	S	90.4	Very high	94.5	Very high	39 Å²	39	36.7 Å²	36.7	27%	0.273	19%	0.192	S	C	.	.	H	α-helix	trans	-57.7	-21.1	176	64.3	0	0	0	0	113.8	H229	H229-S231 WeakPolarHBondContact ND1-CB 3.14Å; H229-S231 PolarHBondContact ND1-N 2.78Å; H229-S231 VanDerWaalsContact ND1-N 3.2Å; H229-S231 PolarHBondContact ND1-OG 2.69Å; H229-S231 PolarHBondContact O-N 3.02Å; H229-S231 VanDerWaalsContact O-N 3.1Å
232	I	94.2	Very high	94.4	Very high	12 Å²	12	46 Å²	46	6%	0.062	23%	0.232	C	C	.	.	H	α-helix	trans	-99.8	-62.7	174.6	-54.2	-55.7	0	0	0	110.5	I185 T188 G227 H229 P230 D234 S235 F238 I326 M328	I185-I232 HydrophobicContact CD1-CD1 4.28Å; I185-I232 HydrophobicContact CD1-CG1 3.88Å; T188-I232 HydrophobicContact CG2-CD1 3.93Å; G227-I232 VanDerWaalsContact O-CB 3.27Å; G227-I232 WeakPolarHBondContact O-CB 3.27Å; G227-I232 VanDerWaalsContact O-CG1 3.26Å; G227-I232 WeakPolarHBondContact O-CG1 3.24Å; H229-I232 PolarHBondContact O-N 3.02Å; P230-I232 PolarHBondContact O-N 3.01Å; I232-D234 VanDerWaalsContact C-N 3.29Å; I232-D234 PolarHBondContact O-N 2.86Å; I232-S235 VanDerWaalsContact O-CB 3.29Å; I232-S235 WeakPolarHBondContact O-CB 3.12Å; I232-S235 PolarHBondContact O-N 3.35Å; I232-S235 VanDerWaalsContact O-N 3.17Å; I232-S235 PolarHBondContact O-OG 2.96Å; I232-F238 HydrophobicContact CG2-CE2 4.48Å; I232-F238 WeakPolarHBondContact O-CD2 2.89Å; I232-F238 WeakPolarHBondContact O-CE2 3.1Å; I232-I326 HydrophobicContact CG2-CB 4.4Å; I232-I326 HydrophobicContact CG2-CD1 4.48Å; I232-I326 HydrophobicContact CG2-CG2 4.19Å; I232-M328 HydrophobicContact CD1-CE 4.39Å; I232-M328 HydrophobicContact CG2-CE 3.72Å
233	Y	94.9	Very high	94.2	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.016	26%	0.258	C	S	.	.	H	α-helix	trans	-75.3	-17.9	-170.5	62.2	-114	0	0	0	113.6	L228 H229 P230 F238 S245 V246 L267 L290 Y322	L228-Y233 HydrophobicContact CD2-CE1 4.34Å; H229-Y233 WeakPolarHBondContact O-CD1 3.47Å; H229-Y233 WeakPolarHBondContact O-CE1 3.18Å; H229-Y233 PolarHBondContact O-N 2.92Å; H229-Y233 VanDerWaalsContact O-N 3.16Å; P230-Y233 HydrophobicContact CB-CE2 4.06Å; P230-Y233 VanDerWaalsContact CD-OH 3.29Å; P230-Y233 WeakPolarHBondContact CD-OH 3.29Å; P230-Y233 HydrophobicContact CG-CE1 4.42Å; P230-Y233 HydrophobicContact CG-CE2 4.12Å; P230-Y233 VanDerWaalsContact CG-OH 3.28Å; P230-Y233 WeakPolarHBondContact CG-OH 3.26Å; P230-Y233 VanDerWaalsContact N-CE1 3.33Å; Y233-F238 WeakPolarHBondContact O-CB 3.33Å; Y233-S245 WeakPolarHBondContact O-CB 3.42Å; Y233-S245 PolarHBondContact O-OG 3.45Å; Y233-V246 HydrophobicContact CD2-CG2 3.65Å; Y233-V246 HydrophobicContact CE2-CG2 3.83Å; Y233-L267 HydrophobicContact CD1-CD2 4.48Å; Y233-L267 HydrophobicContact CD2-CD1 3.8Å; Y233-L267 HydrophobicContact CE2-CD1 4.45Å; Y233-L267 HydrophobicContact CG-CD1 3.98Å; Y233-L267 HydrophobicContact CG-CD2 4.46Å; Y233-L290 HydrophobicContact CE2-CD1 4.17Å; Y233-Y322 AromaticContact CD1-CE2 3.8Å; Y233-Y322 HydrophobicContact CD1-CE2 3.8Å; Y233-Y322 AromaticContact CD1-CZ 3.95Å; Y233-Y322 WeakPolarHBondContact CD1-OH 3.17Å; Y233-Y322 HydrophobicContact CG-CE2 4.21Å
234	D	94.1	Very high	94.1	Very high	38 Å²	38	53.4 Å²	53.4	20%	0.203	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	22.9	172.7	-165.9	29	0	0	0	110.9	P230 I232 R239 V246	P230-D234 HydrophobicContact CB-CB 4.28Å; P230-D234 CarbonylContact O-C 3.6Å; P230-D234 VanDerWaalsContact O-CA 3.25Å; P230-D234 WeakPolarHBondContact O-CA 3.5Å; P230-D234 VanDerWaalsContact O-CB 3.23Å; P230-D234 WeakPolarHBondContact O-CB 3.48Å; P230-D234 PolarHBondContact O-N 2.83Å; I232-D234 VanDerWaalsContact C-N 3.29Å; I232-D234 PolarHBondContact O-N 2.86Å; D234-R239 VanDerWaalsContact CG-NE 3.27Å; D234-R239 PolarHBondContact O-NE 2.87Å; D234-R239 PolarHBondContact O-NH1 2.7Å; D234-R239 PolarHBondContact O-NH2 3.26Å; D234-R239 VanDerWaalsContact OD1-CG 3.25Å; D234-R239 WeakPolarHBondContact OD1-CG 3.46Å; D234-R239 IonicContact OD1-CZ 4Å; D234-R239 IonicContact OD1-NE 3.5Å; D234-R239 PolarHBondContact OD1-NE 2.56Å; D234-R239 IonicContact OD1-NH2 3.7Å; D234-R239 IonicContact OD2-CZ 2.71Å; D234-R239 IonicContact OD2-NE 2.95Å; D234-R239 PolarHBondContact OD2-NE 3.38Å; D234-R239 IonicContact OD2-NH2 3.87Å; D234-R239 PolarHBondContact OD2-NH2 3.33Å; D234-V246 HydrophobicContact CB-CG2 3.92Å
235	S	93.2	Very high	94.2	Very high	35 Å²	35	53.4 Å²	53.4	25%	0.245	27%	0.274	C	S	.	.	S	Bend	trans	-71.1	163.5	171.7	64.8	0	0	0	0	111.8	I232 K237 F238 R239	I232-S235 VanDerWaalsContact O-CB 3.29Å; I232-S235 WeakPolarHBondContact O-CB 3.12Å; I232-S235 PolarHBondContact O-N 3.35Å; I232-S235 VanDerWaalsContact O-N 3.17Å; I232-S235 PolarHBondContact O-OG 2.96Å; S235-K237 PolarHBondContact O-N 3.48Å; S235-F238 PolarHBondContact O-N 3.06Å; S235-F238 WeakPolarHBondContact OG-CD2 3.42Å; S235-R239 PolarHBondContact O-N 3.14Å
236	Q	93.1	Very high	94.3	Very high	132 Å²	132	55 Å²	55	62%	0.617	28%	0.283	S	S	*	.	H	α-helix	trans	-51.3	-37.3	-180	-173.9	61.7	25.1	0	0	113	F238 R239 S240	Q236-F238 VanDerWaalsContact C-N 3.34Å; Q236-F238 PolarHBondContact O-N 3.14Å; Q236-R239 PolarHBondContact O-N 3.23Å; Q236-S240 PolarHBondContact NE2-OG 2.94Å; Q236-S240 VanDerWaalsContact O-CB 3.26Å; Q236-S240 WeakPolarHBondContact O-CB 3.38Å; Q236-S240 PolarHBondContact O-N 3.38Å; Q236-S240 PolarHBondContact O-OG 2.88Å
237	K	92.6	Very high	94.2	Very high	135 Å²	135	57.3 Å²	57.3	59%	0.587	29%	0.294	S	S	*	.	H	α-helix	trans	-56.7	-45.6	176.5	176.9	-170.6	169.4	-166.1	0	112.1	S235	S235-K237 PolarHBondContact O-N 3.48Å
238	F	93.9	Very high	94.3	Very high	20 Å²	20	62.7 Å²	62.7	9%	0.088	32%	0.323	C	S	.	.	H	α-helix	trans	-84.7	-31	-177.8	-69.8	-89.1	0	0	0	112.6	I232 Y233 S235 Q236 S240 A241 S245 L269 I326	I232-F238 HydrophobicContact CG2-CE2 4.48Å; I232-F238 WeakPolarHBondContact O-CD2 2.89Å; I232-F238 WeakPolarHBondContact O-CE2 3.1Å; Y233-F238 WeakPolarHBondContact O-CB 3.33Å; S235-F238 PolarHBondContact O-N 3.06Å; S235-F238 WeakPolarHBondContact OG-CD2 3.42Å; Q236-F238 VanDerWaalsContact C-N 3.34Å; Q236-F238 PolarHBondContact O-N 3.14Å; F238-S240 VanDerWaalsContact C-N 3.33Å; F238-A241 WeakPolarHBondContact O-CB 3.44Å; F238-A241 PolarHBondContact O-N 2.96Å; F238-S245 VanDerWaalsContact CB-OG 3.3Å; F238-S245 WeakPolarHBondContact CB-OG 3.07Å; F238-S245 PolarHBondContact O-N 2.77Å; F238-L269 HydrophobicContact CD1-CD2 3.9Å; F238-L269 HydrophobicContact CE1-CD2 4Å; F238-I326 HydrophobicContact CZ-CB 4.12Å; F238-I326 HydrophobicContact CZ-CG2 4.1Å
239	R	93.9	Very high	94.4	Very high	125 Å²	125	63.5 Å²	63.5	47%	0.472	33%	0.328	S	S	.	.	H	α-helix	trans	-63.9	-37	171.2	-69.9	-176.2	-175.7	137.1	1.9	112.8	D234 S235 Q236 A241	D234-R239 VanDerWaalsContact CG-NE 3.27Å; D234-R239 PolarHBondContact O-NE 2.87Å; D234-R239 PolarHBondContact O-NH1 2.7Å; D234-R239 PolarHBondContact O-NH2 3.26Å; D234-R239 VanDerWaalsContact OD1-CG 3.25Å; D234-R239 WeakPolarHBondContact OD1-CG 3.46Å; D234-R239 IonicContact OD1-CZ 4Å; D234-R239 IonicContact OD1-NE 3.5Å; D234-R239 PolarHBondContact OD1-NE 2.56Å; D234-R239 IonicContact OD1-NH2 3.7Å; D234-R239 IonicContact OD2-CZ 2.71Å; D234-R239 IonicContact OD2-NE 2.95Å; D234-R239 PolarHBondContact OD2-NE 3.38Å; D234-R239 IonicContact OD2-NH2 3.87Å; D234-R239 PolarHBondContact OD2-NH2 3.33Å; S235-R239 PolarHBondContact O-N 3.14Å; Q236-R239 PolarHBondContact O-N 3.23Å; R239-A241 VanDerWaalsContact C-N 3.29Å; R239-A241 PolarHBondContact O-N 3.25Å
240	S	93.3	Very high	94.6	Very high	77 Å²	77	64.4 Å²	64.4	54%	0.538	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	1.3	-178.4	-48.3	0	0	0	0	113.8	Q236 F238	Q236-S240 PolarHBondContact NE2-OG 2.94Å; Q236-S240 VanDerWaalsContact O-CB 3.26Å; Q236-S240 WeakPolarHBondContact O-CB 3.38Å; Q236-S240 PolarHBondContact O-N 3.38Å; Q236-S240 PolarHBondContact O-OG 2.88Å; F238-S240 VanDerWaalsContact C-N 3.33Å
241	A	92.3	Very high	94.8	Very high	44 Å²	44	63.4 Å²	63.4	36%	0.364	33%	0.33	S	S	.	.	S	Bend	trans	-66.2	160.2	175.9	0	0	0	0	0	110.8	F238 R239 I243	F238-A241 WeakPolarHBondContact O-CB 3.44Å; F238-A241 PolarHBondContact O-N 2.96Å; R239-A241 VanDerWaalsContact C-N 3.29Å; R239-A241 PolarHBondContact O-N 3.25Å; A241-I243 WeakPolarHBondContact CB-O 3.3Å; A241-I243 PolarHBondContact O-N 3.49Å; A241-I243 VanDerWaalsContact O-N 3.13Å
242	K	92.7	Very high	95.2	Very high	212 Å²	212	65 Å²	65	92%	0.922	34%	0.34	S	S	*	.	S	Bend	trans	-52	-39	178.7	-179.1	-179.7	178.1	-177.8	0	112.3
243	I	92.9	Very high	95.4	Very high	103 Å²	103	64.5 Å²	64.5	53%	0.528	34%	0.338	S	S	.	.	S	Bend	trans	-117.3	115.2	168.5	-62.3	173	0	0	0	104.8	A241 S245	A241-I243 WeakPolarHBondContact CB-O 3.3Å; A241-I243 PolarHBondContact O-N 3.49Å; A241-I243 VanDerWaalsContact O-N 3.13Å; I243-S245 PolarHBondContact O-N 3.12Å
244	P	96.3	Very high	95.5	Very high	53 Å²	53	65.8 Å²	65.8	34%	0.344	35%	0.345	S	S	.	.			trans	-55	137.4	173.3	-25.8	35	0	0	0	110.5	V246 Q247	P244-V246 PolarHBondContact O-N 3.43Å; P244-Q247 HydrophobicContact CB-CG 4.38Å; P244-Q247 WeakPolarHBondContact O-CG 3.31Å; P244-Q247 PolarHBondContact O-NE2 3.01Å
245	S	97.3	Very high	95.7	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.014	34%	0.336	C	S	.	.	S	Bend	trans	-60.7	-44.3	178.2	50	0	0	0	0	112.3	Y233 F238 I243 L267 S268	Y233-S245 WeakPolarHBondContact O-CB 3.42Å; Y233-S245 PolarHBondContact O-OG 3.45Å; F238-S245 VanDerWaalsContact CB-OG 3.3Å; F238-S245 WeakPolarHBondContact CB-OG 3.07Å; F238-S245 PolarHBondContact O-N 2.77Å; I243-S245 PolarHBondContact O-N 3.12Å; S245-L267 CarbonylContact O-C 3.56Å; S245-L267 WeakPolarHBondContact O-CA 3.1Å; S245-S268 WeakPolarHBondContact CA-O 3.08Å; S245-S268 PolarHBondContact O-N 3.41Å
246	V	98.1	Very high	95.9	Very high	33 Å²	33	64.1 Å²	64.1	20%	0.2	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.7	177.3	-177.2	0	0	0	0	109	Y233 D234 P244 T265 I266 L267	Y233-V246 HydrophobicContact CD2-CG2 3.65Å; Y233-V246 HydrophobicContact CE2-CG2 3.83Å; D234-V246 HydrophobicContact CB-CG2 3.92Å; P244-V246 PolarHBondContact O-N 3.43Å; V246-T265 HydrophobicContact CG1-CG2 3.56Å; V246-I266 WeakPolarHBondContact CA-O 3.5Å; V246-L267 HydrophobicContact CG2-CD1 4.22Å
247	Q	96.9	Very high	96	Very high	49 Å²	49	62.3 Å²	62.3	23%	0.229	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	148.1	-178.1	-68.2	167.5	72.4	0	0	110	P244 T265 I266 S268	P244-Q247 HydrophobicContact CB-CG 4.38Å; P244-Q247 WeakPolarHBondContact O-CG 3.31Å; P244-Q247 PolarHBondContact O-NE2 3.01Å; Q247-T265 CarbonylContact O-C 3.43Å; Q247-T265 WeakPolarHBondContact O-CA 3.35Å; Q247-I266 HydrophobicContact CB-CD1 4.33Å; Q247-I266 HydrophobicContact CB-CG1 3.96Å; Q247-I266 PolarHBondContact N-O 3.16Å; Q247-I266 WeakPolarHBondContact O-CG1 3.36Å; Q247-I266 PolarHBondContact O-N 2.85Å; Q247-S268 VanDerWaalsContact NE2-CB 3.28Å
248	N	97.8	Very high	96.2	Very high	114 Å²	114	57.1 Å²	57.1	61%	0.61	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	131.9	165.2	-68.3	-31.2	0	0	0	108.7	K264 T265	N248-K264 WeakPolarHBondContact CA-O 3.41Å; N248-T265 WeakPolarHBondContact OD1-CB 3.26Å; N248-T265 PolarHBondContact OD1-OG1 3.08Å
249	I	97.6	Very high	96.4	Very high	18 Å²	18	61.8 Å²	61.8	9%	0.092	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	148.6	175.5	62.6	168.1	0	0	0	110	L251 Q263 K264 I266	I249-L251 HydrophobicContact CD1-CD2 3.83Å; I249-L251 HydrophobicContact CD1-CG 4.16Å; I249-L251 HydrophobicContact CG1-CG 4.48Å; I249-Q263 WeakPolarHBondContact O-CA 3.36Å; I249-Q263 PolarHBondContact O-OE1 2.69Å; I249-K264 HydrophobicContact CG1-CB 4.18Å; I249-K264 PolarHBondContact N-O 3.06Å; I249-K264 PolarHBondContact O-N 2.8Å; I249-I266 HydrophobicContact CD1-CD1 4.26Å; I249-I266 HydrophobicContact CD1-CG2 3.66Å; I249-I266 HydrophobicContact CG1-CG1 4.5Å; I249-I266 HydrophobicContact CG1-CG2 3.93Å; I249-I266 HydrophobicContact CG2-CD1 3.64Å; I249-I266 HydrophobicContact CG2-CG1 4.03Å
250	T	98.3	Very high	96.7	Very high	73 Å²	73	58.9 Å²	58.9	45%	0.448	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.8	170.9	-49	0	0	0	0	109.1	E261 V262 Q263	T250-E261 HydrophobicContact CG2-CB 3.7Å; T250-E261 HydrophobicContact CG2-CG 4.04Å; T250-V262 CarbonylContact C-O 3.42Å; T250-V262 WeakPolarHBondContact CA-O 3.33Å; T250-Q263 PolarHBondContact OG1-NE2 2.83Å
251	L	97.9	Very high	96.9	Very high	14 Å²	14	62.9 Å²	62.9	7%	0.073	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	141.2	172.3	-62.5	-179.9	0	0	0	110.6	I249 W253 E261 V262 K264 L351	I249-L251 HydrophobicContact CD1-CD2 3.83Å; I249-L251 HydrophobicContact CD1-CG 4.16Å; I249-L251 HydrophobicContact CG1-CG 4.48Å; L251-W253 HydrophobicContact CB-CE3 4.17Å; L251-W253 HydrophobicContact CB-CZ3 4.43Å; L251-W253 HydrophobicContact CD1-CZ3 3.99Å; L251-E261 WeakPolarHBondContact O-CA 3.45Å; L251-V262 HydrophobicContact CB-CG2 3.92Å; L251-V262 PolarHBondContact N-O 3.32Å; L251-V262 PolarHBondContact O-N 3.07Å; L251-K264 HydrophobicContact CD1-CB 4.49Å; L251-K264 HydrophobicContact CD1-CG 3.94Å; L251-K264 HydrophobicContact CG-CG 4.5Å; L251-L351 HydrophobicContact CD2-CD2 4.3Å
252	S	97.7	Very high	97.1	Very high	71 Å²	71	61.9 Å²	61.9	50%	0.497	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	129.2	168.1	-175.1	0	0	0	0	109.4
253	W	98	Very high	97.4	Very high	3 Å²	3	57.5 Å²	57.5	1%	0.011	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	100.3	-167.5	-149.7	-98.2	0	0	0	111.1	L251 Y260 V262 R298 S353 V402 Y405	L251-W253 HydrophobicContact CB-CE3 4.17Å; L251-W253 HydrophobicContact CB-CZ3 4.43Å; L251-W253 HydrophobicContact CD1-CZ3 3.99Å; W253-Y260 PolarHBondContact N-O 2.52Å; W253-Y260 PolarHBondContact O-N 3.12Å; W253-V262 HydrophobicContact CB-CB 4.46Å; W253-V262 HydrophobicContact CB-CG1 3.73Å; W253-V262 HydrophobicContact CB-CG2 4Å; W253-V262 HydrophobicContact CD2-CG1 4.16Å; W253-V262 HydrophobicContact CD2-CG2 3.63Å; W253-V262 HydrophobicContact CE3-CG2 3.38Å; W253-V262 HydrophobicContact CG-CB 4.5Å; W253-V262 HydrophobicContact CG-CG1 3.71Å; W253-V262 HydrophobicContact CG-CG2 3.95Å; W253-V262 HydrophobicContact CZ3-CG2 3.97Å; W253-R298 VanDerWaalsContact CH2-CZ 3.47Å; W253-S353 VanDerWaalsContact CE2-CB 3.48Å; W253-V402 HydrophobicContact CB-CG2 4.43Å; W253-V402 HydrophobicContact CG-CG2 4.2Å; W253-V402 PolarHBondContact NE1-O 3.48Å; W253-Y405 PolarHBondContact NE1-OH 2.75Å
254	L	98.4	Very high	97.6	Very high	31 Å²	31	53.9 Å²	53.9	16%	0.162	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	126.8	175.1	178.6	71.3	0	0	0	109.9	N259 S353 Y355 E356	L254-N259 WeakPolarHBondContact CD1-OD1 3.26Å; L254-S353 VanDerWaalsContact O-CB 3.28Å; L254-S353 WeakPolarHBondContact O-CB 3.46Å; L254-S353 PolarHBondContact O-OG 2.82Å; L254-Y355 HydrophobicContact CD2-CD1 4.03Å; L254-Y355 HydrophobicContact CD2-CE1 3.92Å; L254-Y355 HydrophobicContact CG-CD1 3.82Å; L254-Y355 HydrophobicContact CG-CE1 3.86Å; L254-E356 HydrophobicContact CB-CB 4.08Å; L254-E356 HydrophobicContact CB-CG 4.3Å; L254-E356 HydrophobicContact CD2-CB 4.11Å; L254-E356 HydrophobicContact CD2-CG 3.83Å
255	S	97.9	Very high	97.7	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.014	29%	0.288	C	S	.	.			trans	-113.9	178.7	167.7	77.1	0	0	0	0	109.9	K257 G258 Y260 Y355 E401 Q404	S255-K257 PolarHBondContact O-N 3.24Å; S255-K257 PolarHBondContact OG-N 3.04Å; S255-K257 VanDerWaalsContact OG-N 3.15Å; S255-G258 PolarHBondContact N-O 3.01Å; S255-G258 PolarHBondContact O-N 2.97Å; S255-G258 PolarHBondContact OG-N 3.25Å; S255-G258 PolarHBondContact OG-O 3.47Å; S255-Y260 VanDerWaalsContact OG-CE2 3.23Å; S255-Y260 WeakPolarHBondContact OG-CE2 3.35Å; S255-Y355 VanDerWaalsContact C-CD1 3.46Å; S255-Y355 VanDerWaalsContact C-CE1 3.45Å; S255-Y355 VanDerWaalsContact O-CE1 3.24Å; S255-Y355 WeakPolarHBondContact O-CE1 3.39Å; S255-E401 WeakPolarHBondContact CB-O 3.41Å; S255-E401 PolarHBondContact OG-O 2.8Å; S255-Q404 VanDerWaalsContact CB-O 3.3Å; S255-Q404 WeakPolarHBondContact CB-O 3.26Å
256	S	96.3	Very high	97.7	Very high	36 Å²	36	54 Å²	54	25%	0.252	29%	0.289	S	S	.	.	S	Bend	trans	-67.9	-15.7	172.1	65	0	0	0	0	112.7	Q404 M406	S256-Q404 PolarHBondContact N-O 2.89Å; S256-Q404 PolarHBondContact OG-O 2.8Å; S256-Q404 VanDerWaalsContact OG-O 3.12Å; S256-M406 WeakPolarHBondContact CB-O 3.19Å; S256-M406 PolarHBondContact OG-O 2.92Å
257	K	96.1	Very high	97.8	Very high	93 Å²	93	52.4 Å²	52.4	40%	0.404	28%	0.279	S	S	.	.	S	Bend	trans	-94.5	-17.7	179.1	-62.3	-61.9	-172.1	171.1	0	114.1	S255 Y260 E401 Q404 E418	S255-K257 PolarHBondContact O-N 3.24Å; S255-K257 PolarHBondContact OG-N 3.04Å; S255-K257 VanDerWaalsContact OG-N 3.15Å; K257-Y260 HydrophobicContact CB-CE2 4.49Å; K257-E401 HydrophobicContact CB-CB 3.99Å; K257-E401 HydrophobicContact CB-CG 4.47Å; K257-E401 HydrophobicContact CG-CB 4.09Å; K257-E401 HydrophobicContact CG-CG 4.31Å; K257-Q404 HydrophobicContact CG-CB 4.35Å; K257-E418 IonicContact NZ-OE1 3.63Å; K257-E418 PolarHBondContact NZ-OE1 3.45Å
258	G	97.4	Very high	97.8	Very high	26 Å²	26	50.9 Å²	50.9	27%	0.268	27%	0.274	S	S	.	.			trans	154.9	-166.7	177.2	0	0	0	0	0	113.8	S255 Y260	S255-G258 PolarHBondContact N-O 3.01Å; S255-G258 PolarHBondContact O-N 2.97Å; S255-G258 PolarHBondContact OG-N 3.25Å; S255-G258 PolarHBondContact OG-O 3.47Å; G258-Y260 WeakPolarHBondContact O-CD2 3.2Å; G258-Y260 WeakPolarHBondContact O-CE2 3.4Å
259	N	98.3	Very high	97.8	Very high	119 Å²	119	45.9 Å²	45.9	64%	0.636	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	131.8	174.1	-69.3	-60.4	0	0	0	110.1	L254	L254-N259 WeakPolarHBondContact CD1-OD1 3.26Å
260	Y	98.3	Very high	97.8	Very high	64 Å²	64	49.7 Å²	49.7	25%	0.251	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	167.7	178.8	-60.1	-97.4	0	0	0	109.8	W253 S255 K257 G258 E401 V402	W253-Y260 PolarHBondContact N-O 2.52Å; W253-Y260 PolarHBondContact O-N 3.12Å; S255-Y260 VanDerWaalsContact OG-CE2 3.23Å; S255-Y260 WeakPolarHBondContact OG-CE2 3.35Å; K257-Y260 HydrophobicContact CB-CE2 4.49Å; G258-Y260 WeakPolarHBondContact O-CD2 3.2Å; G258-Y260 WeakPolarHBondContact O-CE2 3.4Å; Y260-E401 HydrophobicContact CE1-CB 4.37Å; Y260-E401 VanDerWaalsContact OH-CB 3.24Å; Y260-E401 WeakPolarHBondContact OH-CB 3.14Å; Y260-E401 PolarHBondContact OH-OE2 3.28Å; Y260-V402 HydrophobicContact CD1-CB 4.45Å; Y260-V402 HydrophobicContact CD2-CB 4.42Å; Y260-V402 HydrophobicContact CD2-CG2 4.35Å; Y260-V402 HydrophobicContact CG-CB 4.19Å; Y260-V402 HydrophobicContact CG-CG2 4.04Å
261	E	97.8	Very high	97.8	Very high	161 Å²	161	49.7 Å²	49.7	75%	0.752	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.3	166.5	-70.1	-172.2	158.4	0	0	108.5	T250 L251	T250-E261 HydrophobicContact CG2-CB 3.7Å; T250-E261 HydrophobicContact CG2-CG 4.04Å; L251-E261 WeakPolarHBondContact O-CA 3.45Å
262	V	97.5	Very high	97.8	Very high	22 Å²	22	49 Å²	49	13%	0.133	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	138.8	176.5	-60.5	0	0	0	0	110.4	T250 L251 W253 K264 V402	T250-V262 CarbonylContact C-O 3.42Å; T250-V262 WeakPolarHBondContact CA-O 3.33Å; L251-V262 HydrophobicContact CB-CG2 3.92Å; L251-V262 PolarHBondContact N-O 3.32Å; L251-V262 PolarHBondContact O-N 3.07Å; W253-V262 HydrophobicContact CB-CB 4.46Å; W253-V262 HydrophobicContact CB-CG1 3.73Å; W253-V262 HydrophobicContact CB-CG2 4Å; W253-V262 HydrophobicContact CD2-CG1 4.16Å; W253-V262 HydrophobicContact CD2-CG2 3.63Å; W253-V262 HydrophobicContact CE3-CG2 3.38Å; W253-V262 HydrophobicContact CG-CB 4.5Å; W253-V262 HydrophobicContact CG-CG1 3.71Å; W253-V262 HydrophobicContact CG-CG2 3.95Å; W253-V262 HydrophobicContact CZ3-CG2 3.97Å; V262-K264 HydrophobicContact CG2-CG 4.35Å; V262-V402 HydrophobicContact CG1-CG2 3.48Å; V262-V402 VanDerWaalsContact CG1-CG2 3.48Å
263	Q	97.8	Very high	97.8	Very high	121 Å²	121	46.4 Å²	46.4	57%	0.565	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	128.7	172.6	-67.3	-62.4	-33.1	0	0	109.3	I249 T250	I249-Q263 WeakPolarHBondContact O-CA 3.36Å; I249-Q263 PolarHBondContact O-OE1 2.69Å; T250-Q263 PolarHBondContact OG1-NE2 2.83Å
264	K	97.7	Very high	97.9	Very high	26 Å²	26	52.6 Å²	52.6	11%	0.113	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.2	175	-66.5	-60.6	-164.2	159.7	0	109.8	N248 I249 L251 V262 E289 D427	N248-K264 WeakPolarHBondContact CA-O 3.41Å; I249-K264 HydrophobicContact CG1-CB 4.18Å; I249-K264 PolarHBondContact N-O 3.06Å; I249-K264 PolarHBondContact O-N 2.8Å; L251-K264 HydrophobicContact CD1-CB 4.49Å; L251-K264 HydrophobicContact CD1-CG 3.94Å; L251-K264 HydrophobicContact CG-CG 4.5Å; V262-K264 HydrophobicContact CG2-CG 4.35Å; K264-E289 HydrophobicContact CB-CG 4.36Å; K264-E289 HydrophobicContact CD-CG 4.25Å; K264-E289 WeakPolarHBondContact CD-OE1 3.45Å; K264-E289 WeakPolarHBondContact CE-OE1 3.46Å; K264-E289 IonicContact NZ-OE1 2.75Å; K264-E289 PolarHBondContact NZ-OE1 3.18Å; K264-E289 IonicContact NZ-OE2 2.84Å; K264-D427 IonicContact NZ-OD1 2.58Å; K264-D427 PolarHBondContact NZ-OD1 3.14Å; K264-D427 IonicContact NZ-OD2 3.02Å; K264-D427 PolarHBondContact NZ-OD2 3.23Å
265	T	98.3	Very high	97.9	Very high	54 Å²	54	52 Å²	52	33%	0.331	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	130.1	171.6	-54.8	0	0	0	0	108.7	V246 Q247 N248 E289 L290	V246-T265 HydrophobicContact CG1-CG2 3.56Å; Q247-T265 CarbonylContact O-C 3.43Å; Q247-T265 WeakPolarHBondContact O-CA 3.35Å; N248-T265 WeakPolarHBondContact OD1-CB 3.26Å; N248-T265 PolarHBondContact OD1-OG1 3.08Å; T265-E289 WeakPolarHBondContact O-CA 3.42Å; T265-L290 HydrophobicContact CG2-CD1 4.29Å; T265-L290 PolarHBondContact O-N 2.69Å
266	I	98.5	Very high	97.9	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	150.8	-179.4	59.4	162.2	0	0	0	111.3	V246 Q247 I249 Q286 I288	V246-I266 WeakPolarHBondContact CA-O 3.5Å; Q247-I266 HydrophobicContact CB-CD1 4.33Å; Q247-I266 HydrophobicContact CB-CG1 3.96Å; Q247-I266 PolarHBondContact N-O 3.16Å; Q247-I266 WeakPolarHBondContact O-CG1 3.36Å; Q247-I266 PolarHBondContact O-N 2.85Å; I249-I266 HydrophobicContact CD1-CD1 4.26Å; I249-I266 HydrophobicContact CD1-CG2 3.66Å; I249-I266 HydrophobicContact CG1-CG1 4.5Å; I249-I266 HydrophobicContact CG1-CG2 3.93Å; I249-I266 HydrophobicContact CG2-CD1 3.64Å; I249-I266 HydrophobicContact CG2-CG1 4.03Å; I266-Q286 HydrophobicContact CD1-CB 3.77Å; I266-I288 CarbonylContact C-O 3.46Å; I266-I288 VanDerWaalsContact CA-O 3.24Å; I266-I288 WeakPolarHBondContact CA-O 3.24Å
267	L	98.4	Very high	98	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	119.7	164.6	-175.8	63.2	0	0	0	109.3	Y233 S245 V246 L269 M272 G287 I288 L290 F295 Y322	Y233-L267 HydrophobicContact CD1-CD2 4.48Å; Y233-L267 HydrophobicContact CD2-CD1 3.8Å; Y233-L267 HydrophobicContact CE2-CD1 4.45Å; Y233-L267 HydrophobicContact CG-CD1 3.98Å; Y233-L267 HydrophobicContact CG-CD2 4.46Å; S245-L267 CarbonylContact O-C 3.56Å; S245-L267 WeakPolarHBondContact O-CA 3.1Å; V246-L267 HydrophobicContact CG2-CD1 4.22Å; L267-L269 HydrophobicContact CD1-CD1 4.12Å; L267-L269 HydrophobicContact CD1-CG 4.23Å; L267-L269 HydrophobicContact CD2-CD1 4.2Å; L267-L269 HydrophobicContact CG-CD1 4.14Å; L267-L269 HydrophobicContact CG-CG 4.35Å; L267-M272 HydrophobicContact CB-CE 3.86Å; L267-M272 HydrophobicContact CD2-CE 3.88Å; L267-M272 HydrophobicContact CD2-SD 3.97Å; L267-M272 HydrophobicContact CG-CE 3.61Å; L267-M272 HydrophobicContact CG-SD 4.35Å; L267-M272 WeakPolarHBondContact O-CE 3.3Å; L267-G287 CarbonylContact O-C 3.56Å; L267-G287 WeakPolarHBondContact O-CA 3.27Å; L267-I288 PolarHBondContact N-O 2.6Å; L267-I288 PolarHBondContact O-N 3.37Å; L267-L290 HydrophobicContact CB-CD1 4.1Å; L267-L290 HydrophobicContact CB-CD2 3.89Å; L267-L290 HydrophobicContact CB-CG 4.04Å; L267-F295 HydrophobicContact CD2-CE1 4.12Å; L267-Y322 HydrophobicContact CD2-CD2 3.85Å; L267-Y322 HydrophobicContact CD2-CE2 3.97Å
268	S	97.9	Very high	98.2	Very high	17 Å²	17	55.9 Å²	55.9	12%	0.119	28%	0.279	C	S	.	.			trans	-118.2	101.3	-178.1	-166.6	0	0	0	0	109.5	S245 Q247 Q286	S245-S268 WeakPolarHBondContact CA-O 3.08Å; S245-S268 PolarHBondContact O-N 3.41Å; Q247-S268 VanDerWaalsContact NE2-CB 3.28Å; S268-Q286 VanDerWaalsContact CB-O 3.28Å; S268-Q286 WeakPolarHBondContact CB-O 3.06Å; S268-Q286 PolarHBondContact OG-O 3.16Å
269	L	97.8	Very high	98.2	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.042	27%	0.272	C	S	.	.			trans	-128.1	140.8	175.3	-67.6	168.3	0	0	0	109.1	F238 L267 K271 M272 L273 Y322 D325	F238-L269 HydrophobicContact CD1-CD2 3.9Å; F238-L269 HydrophobicContact CE1-CD2 4Å; L267-L269 HydrophobicContact CD1-CD1 4.12Å; L267-L269 HydrophobicContact CD1-CG 4.23Å; L267-L269 HydrophobicContact CD2-CD1 4.2Å; L267-L269 HydrophobicContact CG-CD1 4.14Å; L267-L269 HydrophobicContact CG-CG 4.35Å; L269-K271 PolarHBondContact O-N 2.92Å; L269-M272 HydrophobicContact CB-CB 4.11Å; L269-M272 HydrophobicContact CB-CE 4.48Å; L269-M272 PolarHBondContact O-N 3.14Å; L269-L273 WeakPolarHBondContact O-CB 3.18Å; L269-L273 PolarHBondContact O-N 3.34Å; L269-Y322 HydrophobicContact CD1-CD2 3.6Å; L269-Y322 HydrophobicContact CD1-CE2 3.84Å; L269-D325 HydrophobicContact CB-CB 3.83Å; L269-D325 WeakPolarHBondContact CB-OD2 3.34Å; L269-D325 HydrophobicContact CD1-CB 4.07Å; L269-D325 HydrophobicContact CD2-CB 4.43Å; L269-D325 HydrophobicContact CG-CB 4.34Å
270	P	97.7	Very high	98.2	Very high	99 Å²	99	50.2 Å²	50.2	64%	0.643	24%	0.242	S	C	*	.	H	α-helix	trans	-59.5	-44.8	-165.1	-27.8	35.8	0	0	0	116.1	K274	P270-K274 WeakPolarHBondContact O-CB 3.31Å; P270-K274 PolarHBondContact O-N 3.43Å; P270-K274 VanDerWaalsContact O-N 3.07Å
271	K	98.3	Very high	98.3	Very high	73 Å²	73	52.2 Å²	52.2	32%	0.317	26%	0.257	S	S	.	.	H	α-helix	trans	-78	-41.4	-179.1	-61.6	175.2	-177	179.4	0	111.2	L269 L273 K274 E275 A321 E324 D325	L269-K271 PolarHBondContact O-N 2.92Å; K271-L273 VanDerWaalsContact C-N 3.27Å; K271-L273 PolarHBondContact O-N 3.06Å; K271-K274 WeakPolarHBondContact O-CB 3.41Å; K271-K274 PolarHBondContact O-N 2.72Å; K271-K274 VanDerWaalsContact O-N 3.15Å; K271-E275 PolarHBondContact O-N 3.41Å; K271-A321 HydrophobicContact CB-CB 4.17Å; K271-E324 HydrophobicContact CD-CB 3.99Å; K271-E324 HydrophobicContact CD-CG 3.95Å; K271-E324 IonicContact NZ-OE1 2.75Å; K271-E324 PolarHBondContact NZ-OE1 2.87Å; K271-E324 IonicContact NZ-OE2 3.68Å; K271-D325 WeakPolarHBondContact CA-OD2 3.38Å; K271-D325 WeakPolarHBondContact CB-OD1 3.29Å; K271-D325 WeakPolarHBondContact CB-OD2 2.97Å; K271-D325 WeakPolarHBondContact CG-OD1 3.44Å; K271-D325 VanDerWaalsContact N-CG 3.34Å; K271-D325 PolarHBondContact N-OD1 3.5Å; K271-D325 VanDerWaalsContact N-OD1 3.08Å; K271-D325 PolarHBondContact N-OD2 2.72Å
272	M	98.3	Very high	98.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-56.7	-44.7	173.4	-170.8	-176.9	75.9	0	0	110.8	L267 L269 E275 A276 I288 F295 I318 A321 D325	L267-M272 HydrophobicContact CB-CE 3.86Å; L267-M272 HydrophobicContact CD2-CE 3.88Å; L267-M272 HydrophobicContact CD2-SD 3.97Å; L267-M272 HydrophobicContact CG-CE 3.61Å; L267-M272 HydrophobicContact CG-SD 4.35Å; L267-M272 WeakPolarHBondContact O-CE 3.3Å; L269-M272 HydrophobicContact CB-CB 4.11Å; L269-M272 HydrophobicContact CB-CE 4.48Å; L269-M272 PolarHBondContact O-N 3.14Å; M272-E275 PolarHBondContact O-N 3.33Å; M272-A276 VanDerWaalsContact O-CB 3.27Å; M272-A276 WeakPolarHBondContact O-CB 3.21Å; M272-A276 PolarHBondContact O-N 3.2Å; M272-I288 HydrophobicContact CE-CB 4.04Å; M272-I288 HydrophobicContact CE-CG1 3.87Å; M272-I288 HydrophobicContact CG-CG1 4.4Å; M272-I288 HydrophobicContact SD-CG1 4.31Å; M272-F295 HydrophobicContact SD-CZ 4.22Å; M272-I318 HydrophobicContact CG-CG2 3.59Å; M272-I318 HydrophobicContact SD-CG2 4.48Å; M272-A321 HydrophobicContact CB-CB 4.36Å; M272-D325 PolarHBondContact N-OD2 3.46Å
273	L	98.3	Very high	98.3	Very high	16 Å²	16	49.7 Å²	49.7	8%	0.084	24%	0.244	C	C	.	.	H	α-helix	trans	-67.6	-37.2	177.4	-172.6	56.6	0	0	0	112.2	L269 K271 A276 R277 L285	L269-L273 WeakPolarHBondContact O-CB 3.18Å; L269-L273 PolarHBondContact O-N 3.34Å; K271-L273 VanDerWaalsContact C-N 3.27Å; K271-L273 PolarHBondContact O-N 3.06Å; L273-A276 PolarHBondContact O-N 3.31Å; L273-R277 HydrophobicContact CD1-CG 4.2Å; L273-R277 HydrophobicContact CG-CG 4.35Å; L273-R277 WeakPolarHBondContact O-CB 3.09Å; L273-R277 WeakPolarHBondContact O-CG 3.14Å; L273-R277 PolarHBondContact O-N 3.06Å; L273-L285 HydrophobicContact CD1-CB 4.41Å; L273-L285 HydrophobicContact CD1-CD2 4.36Å; L273-L285 HydrophobicContact CD1-CG 4.08Å; L273-L285 WeakPolarHBondContact CD1-O 3.37Å
274	K	98.6	Very high	98.4	Very high	133 Å²	133	50.7 Å²	50.7	58%	0.578	25%	0.248	S	C	*	.	H	α-helix	trans	-59.7	-52.9	174.1	-177.8	-166.7	170.3	-159.7	0	111.1	P270 K271 A276 R277 E278	P270-K274 WeakPolarHBondContact O-CB 3.31Å; P270-K274 PolarHBondContact O-N 3.43Å; P270-K274 VanDerWaalsContact O-N 3.07Å; K271-K274 WeakPolarHBondContact O-CB 3.41Å; K271-K274 PolarHBondContact O-N 2.72Å; K271-K274 VanDerWaalsContact O-N 3.15Å; K274-A276 VanDerWaalsContact C-N 3.29Å; K274-A276 PolarHBondContact O-N 2.86Å; K274-R277 PolarHBondContact O-N 3.09Å; K274-E278 PolarHBondContact O-N 3.48Å; K274-E278 VanDerWaalsContact O-N 3.13Å
275	E	98.7	Very high	98.4	Very high	18 Å²	18	49.8 Å²	49.8	8%	0.084	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-38	178.8	-66.5	-71.1	154.8	0	0	111.1	K271 M272 H279 R317 I318 A321 Y333	K271-E275 PolarHBondContact O-N 3.41Å; M272-E275 PolarHBondContact O-N 3.33Å; E275-H279 WeakPolarHBondContact O-CB 3.36Å; E275-H279 PolarHBondContact O-N 2.93Å; E275-R317 IonicContact OE1-CZ 3.41Å; E275-R317 IonicContact OE1-NE 2.61Å; E275-R317 IonicContact OE1-NH2 2.78Å; E275-R317 PolarHBondContact OE1-NH2 2.89Å; E275-R317 WeakPolarHBondContact OE2-CB 3.35Å; E275-R317 IonicContact OE2-CZ 3.45Å; E275-R317 IonicContact OE2-NE 3.54Å; E275-R317 PolarHBondContact OE2-NE 2.72Å; E275-R317 IonicContact OE2-NH2 3.56Å; E275-R317 PolarHBondContact OE2-NH2 2.03Å; E275-I318 HydrophobicContact CB-CG1 4.19Å; E275-A321 HydrophobicContact CB-CB 4.46Å; E275-A321 HydrophobicContact CG-CB 3.91Å; E275-Y333 HydrophobicContact CG-CE1 4.34Å
276	A	98.7	Very high	98.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65.5	-45.3	176.9	0	0	0	0	0	113	M272 L273 K274 E278 H279 F280 L285 I288 I318	M272-A276 VanDerWaalsContact O-CB 3.27Å; M272-A276 WeakPolarHBondContact O-CB 3.21Å; M272-A276 PolarHBondContact O-N 3.2Å; L273-A276 PolarHBondContact O-N 3.31Å; K274-A276 VanDerWaalsContact C-N 3.29Å; K274-A276 PolarHBondContact O-N 2.86Å; A276-E278 VanDerWaalsContact C-N 3.32Å; A276-E278 PolarHBondContact O-N 2.94Å; A276-H279 PolarHBondContact O-N 2.72Å; A276-F280 HydrophobicContact CB-CD2 4.19Å; A276-F280 HydrophobicContact CB-CE2 4.23Å; A276-F280 WeakPolarHBondContact O-CB 3.42Å; A276-F280 WeakPolarHBondContact O-CD2 3.28Å; A276-F280 PolarHBondContact O-N 2.9Å; A276-L285 HydrophobicContact CB-CD2 3.71Å; A276-I288 HydrophobicContact CB-CD1 3.6Å; A276-I288 HydrophobicContact CB-CG1 4.35Å; A276-I318 HydrophobicContact CB-CD1 4.04Å; A276-I318 HydrophobicContact CB-CG1 4.22Å; A276-I318 HydrophobicContact CB-CG2 4.31Å
277	R	98.7	Very high	98.3	Very high	78 Å²	78	51.7 Å²	51.7	29%	0.294	25%	0.25	S	S	.	.	H	α-helix	trans	-62.4	-40.5	178.6	-72.8	177	170.9	169.1	-4.8	112.1	L273 K274 D281 C282 Q283 L285	L273-R277 HydrophobicContact CD1-CG 4.2Å; L273-R277 HydrophobicContact CG-CG 4.35Å; L273-R277 WeakPolarHBondContact O-CB 3.09Å; L273-R277 WeakPolarHBondContact O-CG 3.14Å; L273-R277 PolarHBondContact O-N 3.06Å; K274-R277 PolarHBondContact O-N 3.09Å; R277-D281 VanDerWaalsContact O-CA 3.32Å; R277-D281 WeakPolarHBondContact O-CA 3.26Å; R277-D281 PolarHBondContact O-N 3.15Å; R277-D281 VanDerWaalsContact O-N 3.08Å; R277-C282 VanDerWaalsContact CG-O 3.3Å; R277-C282 WeakPolarHBondContact CG-O 3.25Å; R277-C282 PolarHBondContact O-N 2.87Å; R277-C282 VanDerWaalsContact O-N 3.13Å; R277-Q283 PolarHBondContact NE-O 2.94Å; R277-Q283 VanDerWaalsContact NE-O 3.15Å; R277-L285 HydrophobicContact CG-CB 4.1Å; R277-L285 VanDerWaalsContact CZ-O 3.27Å; R277-L285 PolarHBondContact NE-O 3.36Å; R277-L285 PolarHBondContact NH2-O 2.52Å
278	E	98.7	Very high	98.3	Very high	134 Å²	134	51.7 Å²	51.7	63%	0.626	25%	0.25	S	S	*	.	H	α-helix	trans	-67.5	-44.9	175.5	-176.3	171.9	175	0	0	111.4	K274 A276	K274-E278 PolarHBondContact O-N 3.48Å; K274-E278 VanDerWaalsContact O-N 3.13Å; A276-E278 VanDerWaalsContact C-N 3.32Å; A276-E278 PolarHBondContact O-N 2.94Å
279	H	98.7	Very high	98.4	Very high	26 Å²	26	51.4 Å²	51.4	12%	0.12	25%	0.247	C	C	.	.	H	α-helix	trans	-64.1	-51.7	180	178.6	78.2	0	0	0	112.7	E275 A276 D281 I318 F339 W341 K343 G344	E275-H279 WeakPolarHBondContact O-CB 3.36Å; E275-H279 PolarHBondContact O-N 2.93Å; A276-H279 PolarHBondContact O-N 2.72Å; H279-D281 VanDerWaalsContact C-N 3.32Å; H279-D281 PolarHBondContact O-N 2.84Å; H279-I318 HydrophobicContact CB-CD1 4.11Å; H279-F339 AromaticContact CD2-CE1 3.93Å; H279-F339 AromaticContact CE1-CD1 3.27Å; H279-F339 WeakPolarHBondContact CE1-CD1 3.5Å; H279-F339 AromaticContact CE1-CE1 3.79Å; H279-F339 PolarHBondContact CE1-O 3.28Å; H279-F339 AromaticContact ND1-CD1 3.97Å; H279-F339 AromaticContact NE2-CD1 3.32Å; H279-F339 VanDerWaalsContact NE2-CD1 3.32Å; H279-F339 WeakPolarHBondContact NE2-CD1 3.5Å; H279-F339 AromaticContact NE2-CE1 3.3Å; H279-F339 VanDerWaalsContact NE2-CE1 3.3Å; H279-F339 WeakPolarHBondContact NE2-CE1 3.5Å; H279-W341 PolarHBondContact NE2-O 2.8Å; H279-K343 CarbonylContact O-C 3.58Å; H279-K343 VanDerWaalsContact O-CA 3.29Å; H279-K343 WeakPolarHBondContact O-CA 3.32Å; H279-G344 PolarHBondContact O-N 2.79Å
280	F	98.7	Very high	98.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-80	-11.8	-177.7	-64.3	-64.1	0	0	0	113.7	A276 L285 I288 I299 M300 I318 G342 L345 G346 F349 V350	A276-F280 HydrophobicContact CB-CD2 4.19Å; A276-F280 HydrophobicContact CB-CE2 4.23Å; A276-F280 WeakPolarHBondContact O-CB 3.42Å; A276-F280 WeakPolarHBondContact O-CD2 3.28Å; A276-F280 PolarHBondContact O-N 2.9Å; F280-L285 HydrophobicContact CD2-CD2 3.82Å; F280-L285 HydrophobicContact CE2-CD2 4.4Å; F280-I288 HydrophobicContact CE2-CD1 3.88Å; F280-I299 HydrophobicContact CE1-CG2 4.39Å; F280-I299 WeakPolarHBondContact CE1-O 3.32Å; F280-I299 HydrophobicContact CE2-CG2 4.02Å; F280-I299 HydrophobicContact CZ-CG2 3.7Å; F280-I299 WeakPolarHBondContact CZ-O 3.25Å; F280-M300 HydrophobicContact CE2-SD 4.23Å; F280-M300 HydrophobicContact CZ-SD 3.83Å; F280-I318 HydrophobicContact CE2-CD1 3.84Å; F280-I318 HydrophobicContact CZ-CD1 4.22Å; F280-G342 WeakPolarHBondContact CD1-O 3.47Å; F280-L345 PolarHBondContact O-N 2.96Å; F280-G346 WeakPolarHBondContact O-CA 3.38Å; F280-G346 PolarHBondContact O-N 3.08Å; F280-F349 HydrophobicContact CD1-CD1 4.21Å; F280-F349 HydrophobicContact CD1-CE1 4.31Å; F280-F349 HydrophobicContact CE1-CD1 4.47Å; F280-F349 HydrophobicContact CE1-CE1 4.13Å; F280-V350 HydrophobicContact CB-CG1 4.02Å; F280-V350 HydrophobicContact CD1-CG1 3.72Å; F280-V350 HydrophobicContact CD2-CG1 4.01Å; F280-V350 HydrophobicContact CE1-CG1 4.18Å; F280-V350 HydrophobicContact CE2-CG1 4.44Å; F280-V350 HydrophobicContact CG-CG1 3.65Å
281	D	98.5	Very high	98.2	Very high	106 Å²	106	50.4 Å²	50.4	57%	0.567	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	49.2	-169.1	-168.1	31.5	0	0	0	112.8	R277 H279 G346	R277-D281 VanDerWaalsContact O-CA 3.32Å; R277-D281 WeakPolarHBondContact O-CA 3.26Å; R277-D281 PolarHBondContact O-N 3.15Å; R277-D281 VanDerWaalsContact O-N 3.08Å; H279-D281 VanDerWaalsContact C-N 3.32Å; H279-D281 PolarHBondContact O-N 2.84Å; D281-G346 WeakPolarHBondContact O-CA 3.42Å
282	C	98.7	Very high	97.9	Very high	1 Å²	1	49 Å²	49	1%	0.007	24%	0.242	C	C	.	.			trans	-137.6	100.9	179.2	179.2	0	0	0	0	112.2	R277 E284 L285 C347 V350	R277-C282 VanDerWaalsContact CG-O 3.3Å; R277-C282 WeakPolarHBondContact CG-O 3.25Å; R277-C282 PolarHBondContact O-N 2.87Å; R277-C282 VanDerWaalsContact O-N 3.13Å; C282-E284 VanDerWaalsContact C-N 3.28Å; C282-E284 PolarHBondContact O-N 3.41Å; C282-L285 HydrophobicContact CB-CB 4.4Å; C282-L285 WeakPolarHBondContact O-CB 3.36Å; C282-L285 PolarHBondContact O-N 2.78Å; C282-C347 WeakPolarHBondContact CA-SG 3.48Å; C282-C347 HydrophobicContact CB-CB 3.97Å; C282-C347 WeakPolarHBondContact CB-SG 3.41Å; C282-C347 WeakPolarHBondContact SG-CA 3.29Å; C282-C347 WeakPolarHBondContact SG-CB 3.34Å; C282-C347 CovalentContact SG-SG 2.04Å; C282-C347 PolarHBondContact SG-SG 3.17Å; C282-V350 HydrophobicContact CB-CG2 4Å
283	Q	98.3	Very high	97.6	Very high	130 Å²	130	51.1 Å²	51.1	61%	0.607	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-22.9	180	-61.3	-55.2	-40.6	0	0	113.7	R277 L285	R277-Q283 PolarHBondContact NE-O 2.94Å; R277-Q283 VanDerWaalsContact NE-O 3.15Å; Q283-L285 VanDerWaalsContact C-N 3.26Å; Q283-L285 PolarHBondContact O-N 3.01Å
284	E	98.1	Very high	97.5	Very high	141 Å²	141	51.1 Å²	51.1	66%	0.659	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-13.8	178.2	-63.8	173.1	-142.9	0	0	112.9	C282 Q286 L351	C282-E284 VanDerWaalsContact C-N 3.28Å; C282-E284 PolarHBondContact O-N 3.41Å; E284-Q286 PolarHBondContact O-N 2.61Å; E284-L351 HydrophobicContact CB-CD1 4Å
285	L	98.3	Very high	97.5	Very high	7 Å²	7	44.8 Å²	44.8	4%	0.037	23%	0.225	C	C	.	.			trans	-55.4	132.1	179.8	-173.4	63.5	0	0	0	110.4	L273 A276 R277 F280 C282 Q283 G287 I288 V350 L351	L273-L285 HydrophobicContact CD1-CB 4.41Å; L273-L285 HydrophobicContact CD1-CD2 4.36Å; L273-L285 HydrophobicContact CD1-CG 4.08Å; L273-L285 WeakPolarHBondContact CD1-O 3.37Å; A276-L285 HydrophobicContact CB-CD2 3.71Å; R277-L285 HydrophobicContact CG-CB 4.1Å; R277-L285 VanDerWaalsContact CZ-O 3.27Å; R277-L285 PolarHBondContact NE-O 3.36Å; R277-L285 PolarHBondContact NH2-O 2.52Å; F280-L285 HydrophobicContact CD2-CD2 3.82Å; F280-L285 HydrophobicContact CE2-CD2 4.4Å; C282-L285 HydrophobicContact CB-CB 4.4Å; C282-L285 WeakPolarHBondContact O-CB 3.36Å; C282-L285 PolarHBondContact O-N 2.78Å; Q283-L285 VanDerWaalsContact C-N 3.26Å; Q283-L285 PolarHBondContact O-N 3.01Å; L285-G287 VanDerWaalsContact CD1-O 3.24Å; L285-G287 WeakPolarHBondContact CD1-O 3.22Å; L285-I288 HydrophobicContact CD2-CD1 4.47Å; L285-V350 HydrophobicContact CD1-CB 4.11Å; L285-V350 HydrophobicContact CD1-CG2 3.85Å; L285-L351 HydrophobicContact CD1-CD2 4.19Å
286	Q	97.8	Very high	97.4	Very high	95 Å²	95	44.1 Å²	44.1	44%	0.444	22%	0.223	S	C	.	.			trans	-102.3	-19.7	-176.2	-62.7	177.4	-84.5	0	0	113.2	I266 S268 E284	I266-Q286 HydrophobicContact CD1-CB 3.77Å; S268-Q286 VanDerWaalsContact CB-O 3.28Å; S268-Q286 WeakPolarHBondContact CB-O 3.06Å; S268-Q286 PolarHBondContact OG-O 3.16Å; E284-Q286 PolarHBondContact O-N 2.61Å
287	G	98.1	Very high	97.3	Very high	3 Å²	3	44.1 Å²	44.1	3%	0.031	22%	0.223	C	C	.	.	S	Bend	trans	176.6	-179.9	-177.6	0	0	0	0	0	111.2	L267 L285	L267-G287 CarbonylContact O-C 3.56Å; L267-G287 WeakPolarHBondContact O-CA 3.27Å; L285-G287 VanDerWaalsContact CD1-O 3.24Å; L285-G287 WeakPolarHBondContact CD1-O 3.22Å
288	I	98.4	Very high	97.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.8	172.2	-63	-57.6	0	0	0	108.9	I266 L267 M272 A276 F280 L285 F295 M300 I318	I266-I288 CarbonylContact C-O 3.46Å; I266-I288 VanDerWaalsContact CA-O 3.24Å; I266-I288 WeakPolarHBondContact CA-O 3.24Å; L267-I288 PolarHBondContact N-O 2.6Å; L267-I288 PolarHBondContact O-N 3.37Å; M272-I288 HydrophobicContact CE-CB 4.04Å; M272-I288 HydrophobicContact CE-CG1 3.87Å; M272-I288 HydrophobicContact CG-CG1 4.4Å; M272-I288 HydrophobicContact SD-CG1 4.31Å; A276-I288 HydrophobicContact CB-CD1 3.6Å; A276-I288 HydrophobicContact CB-CG1 4.35Å; F280-I288 HydrophobicContact CE2-CD1 3.88Å; L285-I288 HydrophobicContact CD2-CD1 4.47Å; I288-F295 HydrophobicContact CG2-CB 4.29Å; I288-F295 HydrophobicContact CG2-CD1 3.89Å; I288-F295 HydrophobicContact CG2-CE1 4.34Å; I288-F295 HydrophobicContact CG2-CG 3.99Å; I288-M300 HydrophobicContact CD1-SD 3.94Å; I288-M300 HydrophobicContact CG2-CG 3.66Å; I288-M300 HydrophobicContact CG2-SD 4.02Å; I288-I318 HydrophobicContact CD1-CG2 4.03Å; I288-I318 HydrophobicContact CG1-CG2 3.82Å
289	E	98.1	Very high	97.1	Very high	11 Å²	11	34.2 Å²	34.2	5%	0.051	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	133.4	176.8	-173.8	-177.7	139	0	0	111.2	K264 T265 S296 R298 I299	K264-E289 HydrophobicContact CB-CG 4.36Å; K264-E289 HydrophobicContact CD-CG 4.25Å; K264-E289 WeakPolarHBondContact CD-OE1 3.45Å; K264-E289 WeakPolarHBondContact CE-OE1 3.46Å; K264-E289 IonicContact NZ-OE1 2.75Å; K264-E289 PolarHBondContact NZ-OE1 3.18Å; K264-E289 IonicContact NZ-OE2 2.84Å; T265-E289 WeakPolarHBondContact O-CA 3.42Å; E289-S296 WeakPolarHBondContact O-CB 3.29Å; E289-S296 PolarHBondContact O-N 2.96Å; E289-S296 WeakPolarHBondContact OE1-CB 3.24Å; E289-S296 PolarHBondContact OE1-OG 2.8Å; E289-R298 IonicContact OE2-CZ 2.95Å; E289-R298 IonicContact OE2-NE 2.65Å; E289-R298 IonicContact OE2-NH2 3.76Å; E289-R298 PolarHBondContact OE2-NH2 3.47Å; E289-I299 HydrophobicContact CB-CG1 3.89Å
290	L	97.9	Very high	97.1	Very high	17 Å²	17	33 Å²	33	9%	0.089	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	147.8	177	-64	-179.3	0	0	0	111.2	Y233 T265 L267 H294 F295	Y233-L290 HydrophobicContact CE2-CD1 4.17Å; T265-L290 HydrophobicContact CG2-CD1 4.29Å; T265-L290 PolarHBondContact O-N 2.69Å; L267-L290 HydrophobicContact CB-CD1 4.1Å; L267-L290 HydrophobicContact CB-CD2 3.89Å; L267-L290 HydrophobicContact CB-CG 4.04Å; L290-H294 WeakPolarHBondContact CA-O 3.4Å; L290-F295 HydrophobicContact CD2-CD1 3.8Å; L290-F295 HydrophobicContact CD2-CE1 4.09Å
291	D	94.1	Very high	97	Very high	69 Å²	69	33 Å²	33	37%	0.369	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	88.4	164.7	-177.9	22.8	0	0	0	108.2	I293 H294 T307	D291-I293 PolarHBondContact O-N 2.88Å; D291-I293 VanDerWaalsContact O-N 3.15Å; D291-H294 PolarHBondContact N-O 2.82Å; D291-H294 PolarHBondContact O-N 2.88Å; D291-H294 VanDerWaalsContact O-N 3.08Å; D291-T307 PolarHBondContact OD2-OG1 3.26Å
292	G	91.9	Very high	96.8	Very high	43 Å²	43	28 Å²	28	44%	0.443	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	-111.7	-170.7	0	0	0	0	0	112.2
293	I	93	Very high	96.7	Very high	46 Å²	46	28.1 Å²	28.1	24%	0.236	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-4.2	178	71.7	172.9	0	0	0	113.4	P230 D291	P230-I293 HydrophobicContact CG-CB 4.29Å; P230-I293 HydrophobicContact CG-CG2 3.65Å; D291-I293 PolarHBondContact O-N 2.88Å; D291-I293 VanDerWaalsContact O-N 3.15Å
294	H	96	Very high	96.7	Very high	15 Å²	15	22.2 Å²	22.2	7%	0.069	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	171.9	-177.1	-52.9	102.4	0	0	0	111.3	V17 H220 H224 L290 D291 M305	V17-H294 WeakPolarHBondContact CG1-CE1 3.31Å; H220-H294 AromaticContact CE1-CD2 3.61Å; H220-H294 AromaticContact NE2-CD2 3.53Å; H220-H294 AromaticContact NE2-NE2 3.63Å; H224-H294 AromaticContact CE1-CD2 3.86Å; H224-H294 AromaticContact NE2-CD2 3.49Å; H224-H294 PolarHBondContact NE2-CD2 2.84Å; H224-H294 AromaticContact NE2-NE2 3.41Å; H224-H294 PolarHBondContact NE2-NE2 2.94Å; L290-H294 WeakPolarHBondContact CA-O 3.4Å; D291-H294 PolarHBondContact N-O 2.82Å; D291-H294 PolarHBondContact O-N 2.88Å; D291-H294 VanDerWaalsContact O-N 3.08Å; H294-M305 WeakPolarHBondContact CB-O 3.33Å
295	F	97.8	Very high	96.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	143.6	165.6	-61.5	-26	0	0	0	111.5	L228 L267 M272 I288 L290 H297 M300 M305 A306 T319	L228-F295 HydrophobicContact CD1-CZ 4.16Å; L228-F295 HydrophobicContact CD2-CE1 4.48Å; L267-F295 HydrophobicContact CD2-CE1 4.12Å; M272-F295 HydrophobicContact SD-CZ 4.22Å; I288-F295 HydrophobicContact CG2-CB 4.29Å; I288-F295 HydrophobicContact CG2-CD1 3.89Å; I288-F295 HydrophobicContact CG2-CE1 4.34Å; I288-F295 HydrophobicContact CG2-CG 3.99Å; L290-F295 HydrophobicContact CD2-CD1 3.8Å; L290-F295 HydrophobicContact CD2-CE1 4.09Å; F295-H297 PolarHBondContact O-N 3.3Å; F295-M300 HydrophobicContact CB-CB 3.89Å; F295-M300 HydrophobicContact CB-CG 3.68Å; F295-M300 HydrophobicContact CD2-CE 4.1Å; F295-M300 HydrophobicContact CD2-CG 4.15Å; F295-M300 HydrophobicContact CG-CG 4.14Å; F295-M305 HydrophobicContact CD2-CB 3.63Å; F295-M305 HydrophobicContact CE2-CB 3.88Å; F295-M305 HydrophobicContact CE2-CG 4.38Å; F295-M305 HydrophobicContact CG-CB 4.23Å; F295-M305 PolarHBondContact N-O 2.54Å; F295-A306 WeakPolarHBondContact O-CA 3.5Å; F295-T319 WeakPolarHBondContact CE2-OG1 3.37Å
296	S	96.9	Very high	96.5	Very high	4 Å²	4	15.2 Å²	15.2	3%	0.028	9%	0.088	C	C	.	.			trans	-65.1	127	178	170.7	0	0	0	0	111.2	E289 R298 I299 M300	E289-S296 WeakPolarHBondContact O-CB 3.29Å; E289-S296 PolarHBondContact O-N 2.96Å; E289-S296 WeakPolarHBondContact OE1-CB 3.24Å; E289-S296 PolarHBondContact OE1-OG 2.8Å; S296-R298 PolarHBondContact O-N 2.62Å; S296-R298 PolarHBondContact OG-N 3.12Å; S296-I299 PolarHBondContact O-N 2.65Å; S296-I299 VanDerWaalsContact O-N 3.14Å; S296-M300 PolarHBondContact O-N 3.2Å
297	H	96.5	Very high	96	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-57.9	-31.9	174.7	-92.3	-72.3	0	0	0	113.2	F295 I299 G301 A306 T307 Y308 F425 F426	F295-H297 PolarHBondContact O-N 3.3Å; H297-I299 PolarHBondContact O-N 2.83Å; H297-G301 PolarHBondContact CE1-O 2.59Å; H297-G301 VanDerWaalsContact CE1-O 3.31Å; H297-G301 PolarHBondContact ND1-O 3.14Å; H297-G301 WeakPolarHBondContact O-CA 3.33Å; H297-G301 PolarHBondContact O-N 3.27Å; H297-A306 WeakPolarHBondContact CE1-CB 3.45Å; H297-T307 PolarHBondContact NE2-N 3.3Å; H297-Y308 AromaticContact CD2-CD2 3.7Å; H297-Y308 PolarHBondContact CE1-O 2.88Å; H297-Y308 WeakPolarHBondContact NE2-CA 2.98Å; H297-Y308 WeakPolarHBondContact NE2-CB 3.31Å; H297-Y308 AromaticContact NE2-CD2 3.53Å; H297-Y308 AromaticContact NE2-CG 3.96Å; H297-Y308 PolarHBondContact NE2-N 3.22Å; H297-Y308 PolarHBondContact NE2-O 2.8Å; H297-F425 HydrophobicContact CB-CD2 3.95Å; H297-F425 WeakPolarHBondContact CB-O 3.48Å; H297-F425 AromaticContact CD2-CD2 3.6Å; H297-F425 AromaticContact CG-CD2 3.74Å; H297-F426 HydrophobicContact CB-CD1 3.79Å; H297-F426 HydrophobicContact CB-CE1 3.62Å; H297-F426 HydrophobicContact CB-CG 4.31Å; H297-F426 HydrophobicContact CB-CZ 4Å; H297-F426 AromaticContact ND1-CZ 3.92Å; H297-F426 VanDerWaalsContact O-CE1 3.26Å; H297-F426 WeakPolarHBondContact O-CE1 3.43Å
298	R	96.3	Very high	95.4	Very high	1 Å²	1	13 Å²	13	0%	0.004	8%	0.076	C	C	.	.	H	α-helix	trans	-58	-41.4	177.8	-172.4	-173.8	64	92.1	-4	111.5	W253 E289 S296 W341 F349 V350 K352 D427	W253-R298 VanDerWaalsContact CH2-CZ 3.47Å; E289-R298 IonicContact OE2-CZ 2.95Å; E289-R298 IonicContact OE2-NE 2.65Å; E289-R298 IonicContact OE2-NH2 3.76Å; E289-R298 PolarHBondContact OE2-NH2 3.47Å; S296-R298 PolarHBondContact O-N 2.62Å; S296-R298 PolarHBondContact OG-N 3.12Å; R298-W341 PolarHBondContact O-NE1 2.64Å; R298-F349 PolarHBondContact NH1-O 3.05Å; R298-V350 PolarHBondContact NH1-O 3.2Å; R298-V350 PolarHBondContact NH2-O 3.08Å; R298-K352 PolarHBondContact NH1-O 3.45Å; R298-D427 WeakPolarHBondContact CD-OD2 3.46Å; R298-D427 IonicContact NE-OD2 3.28Å; R298-D427 PolarHBondContact NE-OD2 2.87Å
299	I	97.8	Very high	94.8	Very high	4 Å²	4	15 Å²	15	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-91.6	-47.3	-177	-60.2	-52	0	0	0	111.9	F280 E289 S296 H297 W341 V350	F280-I299 HydrophobicContact CE1-CG2 4.39Å; F280-I299 WeakPolarHBondContact CE1-O 3.32Å; F280-I299 HydrophobicContact CE2-CG2 4.02Å; F280-I299 HydrophobicContact CZ-CG2 3.7Å; F280-I299 WeakPolarHBondContact CZ-O 3.25Å; E289-I299 HydrophobicContact CB-CG1 3.89Å; S296-I299 PolarHBondContact O-N 2.65Å; S296-I299 VanDerWaalsContact O-N 3.14Å; H297-I299 PolarHBondContact O-N 2.83Å; I299-W341 PolarHBondContact O-NE1 2.8Å; I299-V350 HydrophobicContact CD1-CB 4.04Å; I299-V350 HydrophobicContact CD1-CG1 4.17Å; I299-V350 HydrophobicContact CG2-CG1 4.36Å
300	M	97.8	Very high	94.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-98.6	-5.5	-171.5	-66.1	-59.8	-68.9	0	0	113.4	F280 I288 F295 S296 N302 D303 I318 F339	F280-M300 HydrophobicContact CE2-SD 4.23Å; F280-M300 HydrophobicContact CZ-SD 3.83Å; I288-M300 HydrophobicContact CD1-SD 3.94Å; I288-M300 HydrophobicContact CG2-CG 3.66Å; I288-M300 HydrophobicContact CG2-SD 4.02Å; F295-M300 HydrophobicContact CB-CB 3.89Å; F295-M300 HydrophobicContact CB-CG 3.68Å; F295-M300 HydrophobicContact CD2-CE 4.1Å; F295-M300 HydrophobicContact CD2-CG 4.15Å; F295-M300 HydrophobicContact CG-CG 4.14Å; S296-M300 PolarHBondContact O-N 3.2Å; M300-N302 PolarHBondContact O-N 3.04Å; M300-D303 HydrophobicContact CB-CB 3.92Å; M300-D303 HydrophobicContact CE-CB 3.82Å; M300-D303 WeakPolarHBondContact O-CB 3.19Å; M300-D303 PolarHBondContact O-N 3.45Å; M300-I318 HydrophobicContact CE-CB 4Å; M300-I318 HydrophobicContact CE-CD1 3.98Å; M300-I318 HydrophobicContact CE-CG2 4Å; M300-I318 HydrophobicContact SD-CD1 4.08Å; M300-F339 HydrophobicContact CE-CE1 4.18Å; M300-F339 HydrophobicContact CE-CZ 4.29Å; M300-F339 WeakPolarHBondContact O-CE2 3.4Å; M300-F339 WeakPolarHBondContact O-CZ 3.37Å
301	G	95.8	Very high	93.6	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	-99.8	166.2	0	0	0	0	0	114	H297 L310	H297-G301 PolarHBondContact CE1-O 2.59Å; H297-G301 VanDerWaalsContact CE1-O 3.31Å; H297-G301 PolarHBondContact ND1-O 3.14Å; H297-G301 WeakPolarHBondContact O-CA 3.33Å; H297-G301 PolarHBondContact O-N 3.27Å; G301-L310 WeakPolarHBondContact O-CD1 3.36Å
302	N	95	Very high	93.2	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	21.4	-176.2	85.8	-61	0	0	0	113.5	M300 L310 S312 T313 S314 F339 W341 Y383	M300-N302 PolarHBondContact O-N 3.04Å; N302-L310 HydrophobicContact CB-CB 4.42Å; N302-L310 HydrophobicContact CB-CD1 3.87Å; N302-S312 WeakPolarHBondContact CB-O 3.19Å; N302-S312 PolarHBondContact ND2-O 3.28Å; N302-S312 PolarHBondContact ND2-OG 3.32Å; N302-T313 CarbonylContact O-C 3.57Å; N302-T313 VanDerWaalsContact O-CA 3.31Å; N302-T313 WeakPolarHBondContact O-CA 3.45Å; N302-S314 PolarHBondContact ND2-OG 2.94Å; N302-S314 PolarHBondContact O-N 3.2Å; N302-F339 WeakPolarHBondContact OD1-CE2 3.32Å; N302-W341 WeakPolarHBondContact OD1-CB 3.27Å; N302-Y383 HydrophobicContact CB-CD2 4.12Å; N302-Y383 HydrophobicContact CB-CE2 4.23Å
303	D	97.7	Very high	93.2	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.016	7%	0.067	C	C	.	.	B	Isolated β-bridge	trans	-62.1	147.1	170.2	-175.2	-96.2	0	0	0	111.2	M300 M305 A306 S314 S316 T319 F339	M300-D303 HydrophobicContact CB-CB 3.92Å; M300-D303 HydrophobicContact CE-CB 3.82Å; M300-D303 WeakPolarHBondContact O-CB 3.19Å; M300-D303 PolarHBondContact O-N 3.45Å; D303-M305 PolarHBondContact O-N 3.43Å; D303-M305 VanDerWaalsContact O-N 3.08Å; D303-M305 PolarHBondContact OD1-N 3.23Å; D303-A306 WeakPolarHBondContact O-CB 3.04Å; D303-A306 PolarHBondContact O-N 3.06Å; D303-S314 CarbonylContact C-O 3.52Å; D303-S314 VanDerWaalsContact CA-O 3.29Å; D303-S314 WeakPolarHBondContact CA-O 3.39Å; D303-S316 WeakPolarHBondContact OD2-CB 3.49Å; D303-S316 PolarHBondContact OD2-N 3.16Å; D303-S316 VanDerWaalsContact OD2-N 3.14Å; D303-S316 PolarHBondContact OD2-OG 3.32Å; D303-T319 PolarHBondContact OD1-OG1 2.9Å; D303-T319 PolarHBondContact OD2-OG1 2.97Å; D303-F339 HydrophobicContact CB-CE2 4.01Å; D303-F339 HydrophobicContact CB-CZ 4.19Å
304	L	97.2	Very high	93.2	Very high	6 Å²	6	11.2 Å²	11.2	3%	0.031	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-40.2	177.6	-179.7	68.7	0	0	0	112.5	W80 I216 Q219 H220 T313 S314 V315	W80-L304 HydrophobicContact CH2-CD2 4.34Å; W80-L304 HydrophobicContact CZ2-CD2 3.74Å; I216-L304 HydrophobicContact CG2-CD1 3.72Å; Q219-L304 HydrophobicContact CB-CD1 3.96Å; Q219-L304 HydrophobicContact CB-CD2 4.09Å; H220-L304 HydrophobicContact CB-CD1 4.05Å; H220-L304 HydrophobicContact CB-CG 4.35Å; H220-L304 PolarHBondContact ND1-O 3.35Å; L304-T313 HydrophobicContact CB-CG2 4.38Å; L304-T313 HydrophobicContact CD1-CG2 4.19Å; L304-S314 PolarHBondContact N-O 3.19Å; L304-V315 HydrophobicContact CB-CG2 4.16Å; L304-V315 HydrophobicContact CD2-CG1 4.42Å; L304-V315 HydrophobicContact CD2-CG2 3.86Å; L304-V315 HydrophobicContact CG-CG2 4.44Å
305	M	97.1	Very high	93.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	12.5	-172.4	-59.1	-55.8	-48.6	0	0	113.9	A223 H224 L228 H294 F295 D303 T319	A223-M305 HydrophobicContact CB-CE 4.14Å; A223-M305 HydrophobicContact CB-SD 3.41Å; A223-M305 WeakPolarHBondContact CB-SD 3.14Å; H224-M305 VanDerWaalsContact CE1-CE 3.43Å; H224-M305 WeakPolarHBondContact CE1-CE 3.18Å; L228-M305 HydrophobicContact CD1-CB 4.34Å; L228-M305 HydrophobicContact CD1-CE 4.11Å; L228-M305 HydrophobicContact CD1-CG 3.6Å; L228-M305 HydrophobicContact CD1-SD 4.14Å; L228-M305 HydrophobicContact CD2-CE 4.06Å; L228-M305 HydrophobicContact CG-CE 4.44Å; H294-M305 WeakPolarHBondContact CB-O 3.33Å; F295-M305 HydrophobicContact CD2-CB 3.63Å; F295-M305 HydrophobicContact CE2-CB 3.88Å; F295-M305 HydrophobicContact CE2-CG 4.38Å; F295-M305 HydrophobicContact CG-CB 4.23Å; F295-M305 PolarHBondContact N-O 2.54Å; D303-M305 PolarHBondContact O-N 3.43Å; D303-M305 VanDerWaalsContact O-N 3.08Å; D303-M305 PolarHBondContact OD1-N 3.23Å; M305-T319 HydrophobicContact CG-CG2 3.54Å
306	A	95.2	Very high	93.4	Very high	2 Å²	2	10.6 Å²	10.6	2%	0.017	6%	0.057	C	C	.	.	B	Isolated β-bridge	trans	-72.2	153.6	167.9	0	0	0	0	0	110.9	F295 H297 D303 Y308	F295-A306 WeakPolarHBondContact O-CA 3.5Å; H297-A306 WeakPolarHBondContact CE1-CB 3.45Å; D303-A306 WeakPolarHBondContact O-CB 3.04Å; D303-A306 PolarHBondContact O-N 3.06Å; A306-Y308 VanDerWaalsContact C-N 3.28Å; A306-Y308 PolarHBondContact O-N 3.26Å
307	T	87.5	Confident	93.4	Very high	12 Å²	12	15.5 Å²	15.5	7%	0.074	8%	0.075	C	C	.	.	S	Bend	trans	-56.4	-34.9	-170.3	-49.3	0	0	0	0	114.6	V17 D291 H297	V17-T307 HydrophobicContact CB-CG2 4.35Å; V17-T307 HydrophobicContact CG1-CG2 3.66Å; D291-T307 PolarHBondContact OD2-OG1 3.26Å; H297-T307 PolarHBondContact NE2-N 3.3Å
308	Y	85.9	Confident	93.6	Very high	38 Å²	38	15.6 Å²	15.6	15%	0.149	8%	0.076	C	C	.	.	S	Bend	trans	-122.2	136.3	-174.4	-59.2	-86.2	0	0	0	110.7	L14 H297 A306 L310 F425	L14-Y308 HydrophobicContact CB-CE1 4.47Å; L14-Y308 HydrophobicContact CD2-CE1 3.86Å; L14-Y308 HydrophobicContact CG-CE1 4.11Å; H297-Y308 AromaticContact CD2-CD2 3.7Å; H297-Y308 PolarHBondContact CE1-O 2.88Å; H297-Y308 WeakPolarHBondContact NE2-CA 2.98Å; H297-Y308 WeakPolarHBondContact NE2-CB 3.31Å; H297-Y308 AromaticContact NE2-CD2 3.53Å; H297-Y308 AromaticContact NE2-CG 3.96Å; H297-Y308 PolarHBondContact NE2-N 3.22Å; H297-Y308 PolarHBondContact NE2-O 2.8Å; A306-Y308 VanDerWaalsContact C-N 3.28Å; A306-Y308 PolarHBondContact O-N 3.26Å; Y308-L310 PolarHBondContact O-N 2.82Å; Y308-L310 VanDerWaalsContact O-N 3.14Å; Y308-F425 HydrophobicContact CD2-CB 3.93Å; Y308-F425 AromaticContact CD2-CD1 3.76Å; Y308-F425 HydrophobicContact CD2-CD1 3.76Å; Y308-F425 AromaticContact CD2-CD2 3.74Å; Y308-F425 HydrophobicContact CD2-CD2 3.74Å; Y308-F425 HydrophobicContact CD2-CE1 4.14Å; Y308-F425 HydrophobicContact CD2-CE2 4.07Å; Y308-F425 AromaticContact CD2-CG 3.56Å; Y308-F425 HydrophobicContact CD2-CG 3.56Å; Y308-F425 HydrophobicContact CD2-CZ 4.29Å; Y308-F425 HydrophobicContact CE2-CB 3.47Å; Y308-F425 VanDerWaalsContact CE2-CB 3.47Å; Y308-F425 AromaticContact CE2-CD1 3.49Å; Y308-F425 HydrophobicContact CE2-CD1 3.49Å; Y308-F425 VanDerWaalsContact CE2-CD1 3.49Å; Y308-F425 HydrophobicContact CE2-CD2 4.13Å; Y308-F425 HydrophobicContact CE2-CE1 4.2Å; Y308-F425 AromaticContact CE2-CG 3.45Å; Y308-F425 HydrophobicContact CE2-CG 3.45Å; Y308-F425 VanDerWaalsContact CE2-CG 3.45Å
309	L	84.9	Confident	93.7	Very high	44 Å²	44	15.6 Å²	15.6	23%	0.23	8%	0.076	C	C	.	.			trans	-68.8	113.1	173.6	-175.5	67.4	0	0	0	110.2	Q213 I216 T313	Q213-L309 HydrophobicContact CB-CD2 3.86Å; Q213-L309 HydrophobicContact CG-CD2 4Å; I216-L309 HydrophobicContact CB-CD1 3.99Å; I216-L309 HydrophobicContact CG2-CD1 3.34Å; L309-T313 HydrophobicContact CD1-CG2 4.25Å; L309-T313 VanDerWaalsContact CD1-OG1 3.27Å; L309-T313 WeakPolarHBondContact CD1-OG1 3.37Å
310	L	87.7	Confident	93.7	Very high	17 Å²	17	15.4 Å²	15.4	9%	0.089	8%	0.075	C	C	.	.			trans	-87.2	156.9	168.6	-58.7	-175.2	0	0	0	110	G301 N302 Y308 S312 T313 F426 L433	G301-L310 WeakPolarHBondContact O-CD1 3.36Å; N302-L310 HydrophobicContact CB-CB 4.42Å; N302-L310 HydrophobicContact CB-CD1 3.87Å; Y308-L310 PolarHBondContact O-N 2.82Å; Y308-L310 VanDerWaalsContact O-N 3.14Å; L310-S312 VanDerWaalsContact C-N 3.3Å; L310-S312 PolarHBondContact O-N 2.96Å; L310-T313 PolarHBondContact O-OG1 3.03Å; L310-F426 HydrophobicContact CD1-CZ 4.25Å; L310-L433 HydrophobicContact CD1-CD2 4.2Å
311	E	83.7	Confident	93.7	Very high	30 Å²	30	15.4 Å²	15.4	14%	0.14	8%	0.075	C	C	.	.	S	Bend	trans	-60.1	-40.8	-175.5	-171.4	169	-171.2	0	0	112.8	H435 P436 T442 A443 L444	E311-H435 VanDerWaalsContact OE2-CA 3.25Å; E311-H435 WeakPolarHBondContact OE2-CA 3.12Å; E311-H435 PolarHBondContact OE2-N 3.08Å; E311-P436 WeakPolarHBondContact OE2-CD 3.41Å; E311-T442 WeakPolarHBondContact OE1-CA 3.44Å; E311-T442 WeakPolarHBondContact OE1-CB 3.39Å; E311-T442 PolarHBondContact OE1-OG1 3.4Å; E311-A443 PolarHBondContact OE1-N 3.36Å; E311-L444 HydrophobicContact CG-CD1 3.93Å; E311-L444 HydrophobicContact CG-CG 4.07Å
312	S	85.2	Confident	93.9	Very high	20 Å²	20	15.4 Å²	15.4	14%	0.14	8%	0.075	C	C	.	.	S	Bend	trans	-93.5	117.1	164.2	174.9	0	0	0	0	108.1	N302 L310	N302-S312 WeakPolarHBondContact CB-O 3.19Å; N302-S312 PolarHBondContact ND2-O 3.28Å; N302-S312 PolarHBondContact ND2-OG 3.32Å; L310-S312 VanDerWaalsContact C-N 3.3Å; L310-S312 PolarHBondContact O-N 2.96Å
313	T	91.5	Very high	94	Very high	26 Å²	26	15.3 Å²	15.3	16%	0.16	7%	0.074	C	C	.	.			trans	-124.1	148.2	173.8	-65.4	0	0	0	0	110	I216 N302 L304 L309 L310	I216-T313 HydrophobicContact CG2-CG2 3.57Å; N302-T313 CarbonylContact O-C 3.57Å; N302-T313 VanDerWaalsContact O-CA 3.31Å; N302-T313 WeakPolarHBondContact O-CA 3.45Å; L304-T313 HydrophobicContact CB-CG2 4.38Å; L304-T313 HydrophobicContact CD1-CG2 4.19Å; L309-T313 HydrophobicContact CD1-CG2 4.25Å; L309-T313 VanDerWaalsContact CD1-OG1 3.27Å; L309-T313 WeakPolarHBondContact CD1-OG1 3.37Å; L310-T313 PolarHBondContact O-OG1 3.03Å
314	S	94.7	Very high	94	Very high	13 Å²	13	17.3 Å²	17.3	9%	0.091	8%	0.083	C	C	.	.	B	Isolated β-bridge	trans	-139.9	136.3	-174.6	-59.9	0	0	0	0	111.8	N302 D303 L304 S316 D337	N302-S314 PolarHBondContact ND2-OG 2.94Å; N302-S314 PolarHBondContact O-N 3.2Å; D303-S314 CarbonylContact C-O 3.52Å; D303-S314 VanDerWaalsContact CA-O 3.29Å; D303-S314 WeakPolarHBondContact CA-O 3.39Å; L304-S314 PolarHBondContact N-O 3.19Å; S314-S316 PolarHBondContact O-N 2.9Å; S314-D337 WeakPolarHBondContact CA-OD2 3.36Å
315	V	97.9	Very high	94	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	9%	0.088	C	C	.	.			trans	-81.9	100.3	168.5	-167.8	0	0	0	0	108.9	Y79 L304 T319 L320 A336 D337	Y79-V315 HydrophobicContact CE1-CG1 4.47Å; Y79-V315 HydrophobicContact CE1-CG2 4.16Å; Y79-V315 VanDerWaalsContact OH-CB 3.3Å; Y79-V315 WeakPolarHBondContact OH-CB 3.39Å; Y79-V315 VanDerWaalsContact OH-CG1 3.31Å; Y79-V315 WeakPolarHBondContact OH-CG1 3.26Å; Y79-V315 WeakPolarHBondContact OH-CG2 3.36Å; L304-V315 HydrophobicContact CB-CG2 4.16Å; L304-V315 HydrophobicContact CD2-CG1 4.42Å; L304-V315 HydrophobicContact CD2-CG2 3.86Å; L304-V315 HydrophobicContact CG-CG2 4.44Å; V315-T319 HydrophobicContact CG1-CG2 4.46Å; V315-L320 HydrophobicContact CG1-CD2 3.68Å; V315-L320 HydrophobicContact CG1-CG 4.07Å; V315-A336 WeakPolarHBondContact O-CA 3.45Å; V315-D337 PolarHBondContact N-OD2 3.28Å; V315-D337 PolarHBondContact O-N 2.93Å
316	S	98.4	Very high	93.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.088	C	C	.	.			trans	-72.1	156.9	-179.8	73.1	0	0	0	0	112.8	D303 S314 I318 T319 L320 F339	D303-S316 WeakPolarHBondContact OD2-CB 3.49Å; D303-S316 PolarHBondContact OD2-N 3.16Å; D303-S316 VanDerWaalsContact OD2-N 3.14Å; D303-S316 PolarHBondContact OD2-OG 3.32Å; S314-S316 PolarHBondContact O-N 2.9Å; S316-I318 PolarHBondContact O-N 3.17Å; S316-I318 WeakPolarHBondContact OG-CB 3.49Å; S316-I318 PolarHBondContact OG-N 2.98Å; S316-T319 PolarHBondContact O-N 3.17Å; S316-T319 PolarHBondContact OG-N 2.9Å; S316-T319 PolarHBondContact OG-OG1 3.28Å; S316-L320 PolarHBondContact O-N 2.86Å; S316-F339 VanDerWaalsContact CB-CD1 3.48Å
317	R	98.7	Very high	93.8	Very high	108 Å²	108	22.7 Å²	22.7	41%	0.408	11%	0.112	S	C	.	.	H	α-helix	trans	-59.3	-28.2	168	-65.4	177.7	60.5	94.6	7	112.4	E275 L320 A321 Y333 A336	E275-R317 IonicContact OE1-CZ 3.41Å; E275-R317 IonicContact OE1-NE 2.61Å; E275-R317 IonicContact OE1-NH2 2.78Å; E275-R317 PolarHBondContact OE1-NH2 2.89Å; E275-R317 WeakPolarHBondContact OE2-CB 3.35Å; E275-R317 IonicContact OE2-CZ 3.45Å; E275-R317 IonicContact OE2-NE 3.54Å; E275-R317 PolarHBondContact OE2-NE 2.72Å; E275-R317 IonicContact OE2-NH2 3.56Å; E275-R317 PolarHBondContact OE2-NH2 2.03Å; R317-L320 PolarHBondContact O-N 2.9Å; R317-A321 VanDerWaalsContact O-CB 3.31Å; R317-A321 WeakPolarHBondContact O-CB 3.36Å; R317-A321 PolarHBondContact O-N 3.39Å; R317-Y333 HydrophobicContact CB-CD1 4.19Å; R317-Y333 HydrophobicContact CG-CD1 4.33Å; R317-A336 HydrophobicContact CB-CB 4.47Å; R317-A336 HydrophobicContact CG-CB 3.54Å
318	I	98.7	Very high	94.1	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-64.1	-49.7	176.1	-57.4	169.2	0	0	0	109.3	M272 E275 A276 H279 F280 I288 M300 S316 L320 A321 Y322 F339	M272-I318 HydrophobicContact CG-CG2 3.59Å; M272-I318 HydrophobicContact SD-CG2 4.48Å; E275-I318 HydrophobicContact CB-CG1 4.19Å; A276-I318 HydrophobicContact CB-CD1 4.04Å; A276-I318 HydrophobicContact CB-CG1 4.22Å; A276-I318 HydrophobicContact CB-CG2 4.31Å; H279-I318 HydrophobicContact CB-CD1 4.11Å; F280-I318 HydrophobicContact CE2-CD1 3.84Å; F280-I318 HydrophobicContact CZ-CD1 4.22Å; I288-I318 HydrophobicContact CD1-CG2 4.03Å; I288-I318 HydrophobicContact CG1-CG2 3.82Å; M300-I318 HydrophobicContact CE-CB 4Å; M300-I318 HydrophobicContact CE-CD1 3.98Å; M300-I318 HydrophobicContact CE-CG2 4Å; M300-I318 HydrophobicContact SD-CD1 4.08Å; S316-I318 PolarHBondContact O-N 3.17Å; S316-I318 WeakPolarHBondContact OG-CB 3.49Å; S316-I318 PolarHBondContact OG-N 2.98Å; I318-L320 VanDerWaalsContact C-N 3.34Å; I318-L320 PolarHBondContact O-N 2.72Å; I318-A321 PolarHBondContact O-N 3.05Å; I318-Y322 PolarHBondContact O-N 3.1Å; I318-F339 HydrophobicContact CD1-CE1 4.41Å
319	T	98.6	Very high	94.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.3	-40.7	175.3	-64.2	0	0	0	0	112.1	L228 F295 D303 M305 V315 S316 Y322 F323	L228-T319 HydrophobicContact CD1-CG2 4.32Å; F295-T319 WeakPolarHBondContact CE2-OG1 3.37Å; D303-T319 PolarHBondContact OD1-OG1 2.9Å; D303-T319 PolarHBondContact OD2-OG1 2.97Å; M305-T319 HydrophobicContact CG-CG2 3.54Å; V315-T319 HydrophobicContact CG1-CG2 4.46Å; S316-T319 PolarHBondContact O-N 3.17Å; S316-T319 PolarHBondContact OG-N 2.9Å; S316-T319 PolarHBondContact OG-OG1 3.28Å; T319-Y322 WeakPolarHBondContact O-CB 3.44Å; T319-Y322 PolarHBondContact O-N 3.32Å; T319-F323 WeakPolarHBondContact O-CD2 3.49Å
320	L	98.8	Very high	95.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.3	-39.7	175.3	-71.1	-160.9	0	0	0	112.6	W80 T83 V315 S316 R317 I318 Y322 F323 V331 Y333 A336	W80-L320 HydrophobicContact CH2-CD2 4.29Å; W80-L320 HydrophobicContact CZ3-CD2 3.94Å; T83-L320 HydrophobicContact CG2-CD1 4.04Å; T83-L320 HydrophobicContact CG2-CD2 3.7Å; V315-L320 HydrophobicContact CG1-CD2 3.68Å; V315-L320 HydrophobicContact CG1-CG 4.07Å; S316-L320 PolarHBondContact O-N 2.86Å; R317-L320 PolarHBondContact O-N 2.9Å; I318-L320 VanDerWaalsContact C-N 3.34Å; I318-L320 PolarHBondContact O-N 2.72Å; L320-Y322 PolarHBondContact O-N 2.83Å; L320-F323 PolarHBondContact O-N 2.8Å; L320-F323 VanDerWaalsContact O-N 3.12Å; L320-V331 HydrophobicContact CB-CG1 3.8Å; L320-V331 HydrophobicContact CD1-CG1 4.15Å; L320-V331 HydrophobicContact CG-CG1 4.37Å; L320-Y333 HydrophobicContact CB-CD1 4.26Å; L320-Y333 HydrophobicContact CB-CE1 4.24Å; L320-A336 HydrophobicContact CD1-CB 3.77Å; L320-A336 HydrophobicContact CG-CB 4.48Å
321	A	98.7	Very high	95.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.8	-29	179.2	0	0	0	0	0	113.6	K271 M272 E275 R317 I318 F323 E324 D325 Y333	K271-A321 HydrophobicContact CB-CB 4.17Å; M272-A321 HydrophobicContact CB-CB 4.36Å; E275-A321 HydrophobicContact CB-CB 4.46Å; E275-A321 HydrophobicContact CG-CB 3.91Å; R317-A321 VanDerWaalsContact O-CB 3.31Å; R317-A321 WeakPolarHBondContact O-CB 3.36Å; R317-A321 PolarHBondContact O-N 3.39Å; I318-A321 PolarHBondContact O-N 3.05Å; A321-F323 VanDerWaalsContact C-N 3.32Å; A321-F323 PolarHBondContact O-N 2.83Å; A321-E324 WeakPolarHBondContact O-CB 3.43Å; A321-E324 PolarHBondContact O-N 3.14Å; A321-E324 VanDerWaalsContact O-N 3.14Å; A321-D325 PolarHBondContact O-N 2.78Å; A321-Y333 VanDerWaalsContact CA-OH 3.31Å; A321-Y333 WeakPolarHBondContact CA-OH 3.11Å; A321-Y333 HydrophobicContact CB-CE1 4.03Å; A321-Y333 WeakPolarHBondContact CB-OH 3.46Å
322	Y	98.5	Very high	96.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-52.9	-48.9	170.3	169.9	-90.3	0	0	0	112	G227 L228 Y233 L267 L269 I318 T319 L320 E324 D325 I326	G227-Y322 PolarHBondContact O-OH 3.11Å; L228-Y322 HydrophobicContact CB-CD1 3.93Å; L228-Y322 HydrophobicContact CB-CE1 3.55Å; L228-Y322 HydrophobicContact CD1-CD1 3.87Å; L228-Y322 HydrophobicContact CD1-CE1 4.31Å; L228-Y322 HydrophobicContact CD1-CG 4.17Å; L228-Y322 HydrophobicContact CG-CD1 3.7Å; L228-Y322 HydrophobicContact CG-CD2 4.38Å; L228-Y322 HydrophobicContact CG-CE1 3.65Å; L228-Y322 HydrophobicContact CG-CE2 4.32Å; L228-Y322 HydrophobicContact CG-CG 4.11Å; Y233-Y322 AromaticContact CD1-CE2 3.8Å; Y233-Y322 HydrophobicContact CD1-CE2 3.8Å; Y233-Y322 AromaticContact CD1-CZ 3.95Å; Y233-Y322 WeakPolarHBondContact CD1-OH 3.17Å; Y233-Y322 HydrophobicContact CG-CE2 4.21Å; L267-Y322 HydrophobicContact CD2-CD2 3.85Å; L267-Y322 HydrophobicContact CD2-CE2 3.97Å; L269-Y322 HydrophobicContact CD1-CD2 3.6Å; L269-Y322 HydrophobicContact CD1-CE2 3.84Å; I318-Y322 PolarHBondContact O-N 3.1Å; T319-Y322 WeakPolarHBondContact O-CB 3.44Å; T319-Y322 PolarHBondContact O-N 3.32Å; L320-Y322 PolarHBondContact O-N 2.83Å; Y322-E324 PolarHBondContact O-N 3.26Å; Y322-D325 PolarHBondContact O-N 2.72Å; Y322-D325 VanDerWaalsContact O-N 3.12Å; Y322-I326 HydrophobicContact CD1-CG2 4.49Å; Y322-I326 HydrophobicContact CD2-CG2 4.4Å; Y322-I326 HydrophobicContact CE1-CD1 3.89Å; Y322-I326 HydrophobicContact CE1-CG1 4.5Å; Y322-I326 HydrophobicContact CE1-CG2 3.84Å; Y322-I326 HydrophobicContact CE2-CG2 3.76Å; Y322-I326 VanDerWaalsContact CZ-CG2 3.41Å; Y322-I326 PolarHBondContact O-N 3.39Å; Y322-I326 WeakPolarHBondContact OH-CG2 3.47Å
323	F	98.1	Very high	96.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.2	-27.1	-178.7	-70.3	-71.3	0	0	0	112.6	W80 L84 A223 L226 L228 T319 L320 A321 I326 Y329 V331	W80-F323 HydrophobicContact CH2-CD2 4.37Å; W80-F323 AromaticContact CH2-CE2 3.58Å; W80-F323 HydrophobicContact CH2-CE2 3.58Å; W80-F323 HydrophobicContact CH2-CZ 4.14Å; W80-F323 HydrophobicContact CZ3-CD2 4.07Å; W80-F323 AromaticContact CZ3-CE2 3.66Å; W80-F323 HydrophobicContact CZ3-CE2 3.66Å; W80-F323 HydrophobicContact CZ3-CZ 4.26Å; L84-F323 HydrophobicContact CD1-CD1 4.35Å; L84-F323 HydrophobicContact CD1-CG 4.38Å; L84-F323 HydrophobicContact CD2-CB 4Å; L84-F323 HydrophobicContact CD2-CG 4.35Å; A223-F323 HydrophobicContact CB-CZ 3.97Å; L226-F323 HydrophobicContact CB-CD1 4.36Å; L226-F323 HydrophobicContact CB-CE1 3.56Å; L226-F323 HydrophobicContact CB-CZ 4.19Å; L228-F323 HydrophobicContact CB-CE1 4.44Å; L228-F323 HydrophobicContact CB-CZ 4.17Å; L228-F323 HydrophobicContact CD1-CZ 4.46Å; T319-F323 WeakPolarHBondContact O-CD2 3.49Å; L320-F323 PolarHBondContact O-N 2.8Å; L320-F323 VanDerWaalsContact O-N 3.12Å; A321-F323 VanDerWaalsContact C-N 3.32Å; A321-F323 PolarHBondContact O-N 2.83Å; F323-I326 HydrophobicContact CD1-CD1 4.25Å; F323-I326 WeakPolarHBondContact O-CG1 3.21Å; F323-Y329 HydrophobicContact CB-CD2 4.05Å; F323-Y329 AromaticContact CD1-CD2 3.96Å; F323-Y329 HydrophobicContact CD1-CD2 3.96Å; F323-Y329 AromaticContact CD1-CE2 4Å; F323-Y329 HydrophobicContact CD1-CE2 4Å; F323-Y329 HydrophobicContact CG-CD2 4.46Å; F323-V331 HydrophobicContact CB-CG2 4.02Å
324	E	96.9	Very high	97.2	Very high	44 Å²	44	30 Å²	30	21%	0.206	15%	0.154	C	C	.	.	H	α-helix	trans	-77.5	-39.2	174.5	-151.1	-170.6	157.1	0	0	112.5	K271 A321 Y322 N327 V331 Y333	K271-E324 HydrophobicContact CD-CB 3.99Å; K271-E324 HydrophobicContact CD-CG 3.95Å; K271-E324 IonicContact NZ-OE1 2.75Å; K271-E324 PolarHBondContact NZ-OE1 2.87Å; K271-E324 IonicContact NZ-OE2 3.68Å; A321-E324 WeakPolarHBondContact O-CB 3.43Å; A321-E324 PolarHBondContact O-N 3.14Å; A321-E324 VanDerWaalsContact O-N 3.14Å; Y322-E324 PolarHBondContact O-N 3.26Å; E324-N327 PolarHBondContact O-N 3.38Å; E324-V331 HydrophobicContact CB-CG2 3.75Å; E324-V331 HydrophobicContact CG-CG2 4.2Å; E324-Y333 VanDerWaalsContact OE2-CE2 3.24Å; E324-Y333 WeakPolarHBondContact OE2-CE2 3.4Å; E324-Y333 PolarHBondContact OE2-OH 3.03Å
325	D	97.2	Very high	97.4	Very high	23 Å²	23	31.6 Å²	31.6	12%	0.123	16%	0.161	C	C	.	.	H	α-helix	trans	-68.3	-36.8	179.4	-91.3	-35.8	0	0	0	112.9	L269 K271 M272 A321 Y322 N327	L269-D325 HydrophobicContact CB-CB 3.83Å; L269-D325 WeakPolarHBondContact CB-OD2 3.34Å; L269-D325 HydrophobicContact CD1-CB 4.07Å; L269-D325 HydrophobicContact CD2-CB 4.43Å; L269-D325 HydrophobicContact CG-CB 4.34Å; K271-D325 WeakPolarHBondContact CA-OD2 3.38Å; K271-D325 WeakPolarHBondContact CB-OD1 3.29Å; K271-D325 WeakPolarHBondContact CB-OD2 2.97Å; K271-D325 WeakPolarHBondContact CG-OD1 3.44Å; K271-D325 VanDerWaalsContact N-CG 3.34Å; K271-D325 PolarHBondContact N-OD1 3.5Å; K271-D325 VanDerWaalsContact N-OD1 3.08Å; K271-D325 PolarHBondContact N-OD2 2.72Å; M272-D325 PolarHBondContact N-OD2 3.46Å; A321-D325 PolarHBondContact O-N 2.78Å; Y322-D325 PolarHBondContact O-N 2.72Å; Y322-D325 VanDerWaalsContact O-N 3.12Å; D325-N327 PolarHBondContact O-N 3.13Å
326	I	95.1	Very high	97.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-8.7	174.8	63.9	173.8	0	0	0	113.2	I232 F238 Y322 F323 M328 Y329	I232-I326 HydrophobicContact CG2-CB 4.4Å; I232-I326 HydrophobicContact CG2-CD1 4.48Å; I232-I326 HydrophobicContact CG2-CG2 4.19Å; F238-I326 HydrophobicContact CZ-CB 4.12Å; F238-I326 HydrophobicContact CZ-CG2 4.1Å; Y322-I326 HydrophobicContact CD1-CG2 4.49Å; Y322-I326 HydrophobicContact CD2-CG2 4.4Å; Y322-I326 HydrophobicContact CE1-CD1 3.89Å; Y322-I326 HydrophobicContact CE1-CG1 4.5Å; Y322-I326 HydrophobicContact CE1-CG2 3.84Å; Y322-I326 HydrophobicContact CE2-CG2 3.76Å; Y322-I326 VanDerWaalsContact CZ-CG2 3.41Å; Y322-I326 PolarHBondContact O-N 3.39Å; Y322-I326 WeakPolarHBondContact OH-CG2 3.47Å; F323-I326 HydrophobicContact CD1-CD1 4.25Å; F323-I326 WeakPolarHBondContact O-CG1 3.21Å; I326-M328 VanDerWaalsContact C-N 3.26Å; I326-M328 HydrophobicContact CD1-CB 4.29Å; I326-M328 HydrophobicContact CD1-CG 4.23Å; I326-M328 HydrophobicContact CD1-SD 3.81Å; I326-M328 HydrophobicContact CG1-CB 4.24Å; I326-M328 HydrophobicContact CG1-CG 4.19Å; I326-M328 HydrophobicContact CG1-SD 4.36Å; I326-M328 PolarHBondContact O-N 3.4Å; I326-Y329 HydrophobicContact CD1-CD2 4.29Å; I326-Y329 HydrophobicContact CD1-CE2 4.1Å
327	N	93.4	Very high	97.2	Very high	99 Å²	99	36.1 Å²	36.1	53%	0.529	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	31.4	174.6	-162.3	40.2	0	0	0	114.1	K87 E324 D325	K87-N327 WeakPolarHBondContact CD-OD1 3.42Å; K87-N327 PolarHBondContact NZ-OD1 3.47Å; E324-N327 PolarHBondContact O-N 3.38Å; D325-N327 PolarHBondContact O-N 3.13Å
328	M	93.4	Very high	96.9	Very high	25 Å²	25	34.2 Å²	34.2	12%	0.123	19%	0.186	C	C	.	.	S	Bend	trans	-100.9	-27.7	173.3	-63.3	179.1	-173.7	0	0	111.6	K87 P190 R191 P192 I232 I326	K87-M328 PolarHBondContact N-O 2.8Å; P190-M328 WeakPolarHBondContact O-CE 3.07Å; R191-M328 HydrophobicContact CB-CB 4.03Å; R191-M328 HydrophobicContact CB-CG 3.95Å; R191-M328 HydrophobicContact CB-SD 3.61Å; P192-M328 VanDerWaalsContact CD-SD 3.59Å; I232-M328 HydrophobicContact CD1-CE 4.39Å; I232-M328 HydrophobicContact CG2-CE 3.72Å; I326-M328 VanDerWaalsContact C-N 3.26Å; I326-M328 HydrophobicContact CD1-CB 4.29Å; I326-M328 HydrophobicContact CD1-CG 4.23Å; I326-M328 HydrophobicContact CD1-SD 3.81Å; I326-M328 HydrophobicContact CG1-CB 4.24Å; I326-M328 HydrophobicContact CG1-CG 4.19Å; I326-M328 HydrophobicContact CG1-SD 4.36Å; I326-M328 PolarHBondContact O-N 3.4Å
329	Y	96.3	Very high	96.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.6	-173.7	-49.1	-79	0	0	0	112.5	L84 K85 V86 K87 L226 F323 I326	L84-Y329 HydrophobicContact CB-CD1 4.05Å; L84-Y329 HydrophobicContact CB-CG 4.34Å; L84-Y329 HydrophobicContact CD1-CD1 4.17Å; L84-Y329 HydrophobicContact CD1-CD2 4.36Å; L84-Y329 HydrophobicContact CD1-CE1 4.43Å; L84-Y329 HydrophobicContact CD1-CG 4.14Å; L84-Y329 HydrophobicContact CD2-CG 4.37Å; K85-Y329 CarbonylContact O-C 3.41Å; K85-Y329 WeakPolarHBondContact O-CA 3.1Å; V86-Y329 HydrophobicContact CG2-CD1 4.24Å; V86-Y329 HydrophobicContact CG2-CE1 4.16Å; K87-Y329 WeakPolarHBondContact CD-O 3.46Å; K87-Y329 WeakPolarHBondContact CE-O 3.35Å; K87-Y329 PolarHBondContact NZ-O 2.82Å; K87-Y329 VanDerWaalsContact NZ-O 3.14Å; L226-Y329 HydrophobicContact CD2-CE1 4.38Å; L226-Y329 VanDerWaalsContact O-CE2 3.31Å; L226-Y329 WeakPolarHBondContact O-CE2 3.35Å; L226-Y329 PolarHBondContact O-OH 3.26Å; F323-Y329 HydrophobicContact CB-CD2 4.05Å; F323-Y329 AromaticContact CD1-CD2 3.96Å; F323-Y329 HydrophobicContact CD1-CD2 3.96Å; F323-Y329 AromaticContact CD1-CE2 4Å; F323-Y329 HydrophobicContact CD1-CE2 4Å; F323-Y329 HydrophobicContact CG-CD2 4.46Å; I326-Y329 HydrophobicContact CD1-CD2 4.29Å; I326-Y329 HydrophobicContact CD1-CE2 4.1Å
330	E	96.6	Very high	96.7	Very high	85 Å²	85	38.4 Å²	38.4	40%	0.397	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	141.9	152	-62.9	167.8	-150.8	0	0	107.1	K85 K87	K85-E330 HydrophobicContact CB-CB 4.22Å; K85-E330 PolarHBondContact N-O 2.96Å; K85-E330 PolarHBondContact O-N 2.77Å; K87-E330 HydrophobicContact CG-CG 3.87Å
331	V	98	Very high	96.6	Very high	22 Å²	22	38.4 Å²	38.4	13%	0.133	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.5	-167.9	-175.6	0	0	0	0	110.2	T83 L84 L320 F323 E324 Y333	T83-V331 HydrophobicContact CG2-CG1 4.36Å; L84-V331 HydrophobicContact CD2-CB 4.36Å; L84-V331 HydrophobicContact CD2-CG1 4.2Å; L84-V331 HydrophobicContact CD2-CG2 3.77Å; L320-V331 HydrophobicContact CB-CG1 3.8Å; L320-V331 HydrophobicContact CD1-CG1 4.15Å; L320-V331 HydrophobicContact CG-CG1 4.37Å; F323-V331 HydrophobicContact CB-CG2 4.02Å; E324-V331 HydrophobicContact CB-CG2 3.75Å; E324-V331 HydrophobicContact CG-CG2 4.2Å; V331-Y333 HydrophobicContact CB-CE2 4.27Å; V331-Y333 HydrophobicContact CG1-CE2 4.49Å; V331-Y333 PolarHBondContact O-N 2.86Å
332	D	98.1	Very high	96.6	Very high	72 Å²	72	38.6 Å²	38.6	39%	0.385	21%	0.205	S	C	.	.			trans	-88.3	97.1	169.7	-169.4	-15.2	0	0	0	110.1	T83 S334 M335	T83-D332 PolarHBondContact O-N 2.99Å; D332-S334 VanDerWaalsContact CG-OG 3.25Å; D332-S334 PolarHBondContact O-N 2.8Å; D332-S334 VanDerWaalsContact OD1-CB 3.27Å; D332-S334 WeakPolarHBondContact OD1-CB 3.24Å; D332-S334 PolarHBondContact OD1-N 3.01Å; D332-S334 PolarHBondContact OD1-OG 3.07Å; D332-S334 PolarHBondContact OD2-OG 3.39Å; D332-M335 HydrophobicContact CB-CG 4.18Å; D332-M335 WeakPolarHBondContact O-CB 3.38Å; D332-M335 PolarHBondContact O-N 3.2Å; D332-M335 VanDerWaalsContact O-N 3.16Å
333	Y	98.2	Very high	96.5	Very high	39 Å²	39	43.7 Å²	43.7	15%	0.153	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-67.4	-10.7	178.9	-71.7	-91	0	0	0	114	E275 R317 L320 A321 E324 V331 M335 A336	E275-Y333 HydrophobicContact CG-CE1 4.34Å; R317-Y333 HydrophobicContact CB-CD1 4.19Å; R317-Y333 HydrophobicContact CG-CD1 4.33Å; L320-Y333 HydrophobicContact CB-CD1 4.26Å; L320-Y333 HydrophobicContact CB-CE1 4.24Å; A321-Y333 VanDerWaalsContact CA-OH 3.31Å; A321-Y333 WeakPolarHBondContact CA-OH 3.11Å; A321-Y333 HydrophobicContact CB-CE1 4.03Å; A321-Y333 WeakPolarHBondContact CB-OH 3.46Å; E324-Y333 VanDerWaalsContact OE2-CE2 3.24Å; E324-Y333 WeakPolarHBondContact OE2-CE2 3.4Å; E324-Y333 PolarHBondContact OE2-OH 3.03Å; V331-Y333 HydrophobicContact CB-CE2 4.27Å; V331-Y333 HydrophobicContact CG1-CE2 4.49Å; V331-Y333 PolarHBondContact O-N 2.86Å; Y333-M335 PolarHBondContact O-N 3.31Å; Y333-A336 WeakPolarHBondContact O-CB 3.26Å; Y333-A336 PolarHBondContact O-N 2.74Å
334	S	97.5	Very high	96.5	Very high	96 Å²	96	45.7 Å²	45.7	67%	0.671	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-70.6	-15.1	173.1	73.7	0	0	0	0	112.7	D332 A336	D332-S334 VanDerWaalsContact CG-OG 3.25Å; D332-S334 PolarHBondContact O-N 2.8Å; D332-S334 VanDerWaalsContact OD1-CB 3.27Å; D332-S334 WeakPolarHBondContact OD1-CB 3.24Å; D332-S334 PolarHBondContact OD1-N 3.01Å; D332-S334 PolarHBondContact OD1-OG 3.07Å; D332-S334 PolarHBondContact OD2-OG 3.39Å; S334-A336 VanDerWaalsContact C-N 3.33Å
335	M	97.7	Very high	96.5	Very high	48 Å²	48	45 Å²	45	24%	0.236	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-80.7	-11.2	174.4	-63.3	-64.6	-59.6	0	0	113.5	Y79 K82 T83 D332 Y333	Y79-M335 HydrophobicContact CD2-CE 3.77Å; Y79-M335 HydrophobicContact CE2-CB 4.42Å; Y79-M335 HydrophobicContact CE2-CE 3.82Å; Y79-M335 PolarHBondContact OH-O 2.97Å; Y79-M335 VanDerWaalsContact OH-O 3.06Å; K82-M335 HydrophobicContact CB-CE 3.97Å; K82-M335 HydrophobicContact CB-SD 4.27Å; K82-M335 HydrophobicContact CD-CE 4.42Å; T83-M335 HydrophobicContact CG2-CB 4Å; T83-M335 HydrophobicContact CG2-CG 4.4Å; T83-M335 WeakPolarHBondContact OG1-CB 3.41Å; T83-M335 WeakPolarHBondContact OG1-CG 3.17Å; D332-M335 HydrophobicContact CB-CG 4.18Å; D332-M335 WeakPolarHBondContact O-CB 3.38Å; D332-M335 PolarHBondContact O-N 3.2Å; D332-M335 VanDerWaalsContact O-N 3.16Å; Y333-M335 PolarHBondContact O-N 3.31Å
336	A	97.9	Very high	96.6	Very high	20 Å²	20	44.7 Å²	44.7	17%	0.165	25%	0.248	C	C	.	.	S	Bend	trans	-68.1	143.1	176.7	0	0	0	0	0	111.4	V315 R317 L320 Y333 S334	V315-A336 WeakPolarHBondContact O-CA 3.45Å; R317-A336 HydrophobicContact CB-CB 4.47Å; R317-A336 HydrophobicContact CG-CB 3.54Å; L320-A336 HydrophobicContact CD1-CB 3.77Å; L320-A336 HydrophobicContact CG-CB 4.48Å; Y333-A336 WeakPolarHBondContact O-CB 3.26Å; Y333-A336 PolarHBondContact O-N 2.74Å; S334-A336 VanDerWaalsContact C-N 3.33Å
337	D	95.6	Very high	96.7	Very high	75 Å²	75	46 Å²	46	40%	0.401	26%	0.257	S	S	.	.			trans	-72.6	161.3	170.1	-65.1	-49.2	0	0	0	110.8	S314 V315 F339	S314-D337 WeakPolarHBondContact CA-OD2 3.36Å; V315-D337 PolarHBondContact N-OD2 3.28Å; V315-D337 PolarHBondContact O-N 2.93Å; D337-F339 PolarHBondContact O-N 3.22Å
338	D	92.7	Very high	97	Very high	68 Å²	68	42.9 Å²	42.9	36%	0.364	24%	0.24	S	C	.	.			trans	-74.5	73.1	169.6	-168.2	8.4	0	0	0	109.5	K340 K343 K547	D338-K340 PolarHBondContact O-N 3.49Å; D338-K343 IonicContact OD1-NZ 3.42Å; D338-K343 PolarHBondContact OD1-NZ 2.79Å; D338-K343 VanDerWaalsContact OD1-NZ 3.17Å; D338-K547 IonicContact OD2-NZ 3.6Å; D338-K547 PolarHBondContact OD2-NZ 3.42Å
339	F	96.7	Very high	97.2	Very high	7 Å²	7	41.7 Å²	41.7	3%	0.031	23%	0.234	C	C	.	.			trans	-61.7	125.2	175.4	-179.6	-121.5	0	0	0	109.6	H279 M300 N302 D303 S316 I318 D337 W341	H279-F339 AromaticContact CD2-CE1 3.93Å; H279-F339 AromaticContact CE1-CD1 3.27Å; H279-F339 WeakPolarHBondContact CE1-CD1 3.5Å; H279-F339 AromaticContact CE1-CE1 3.79Å; H279-F339 PolarHBondContact CE1-O 3.28Å; H279-F339 AromaticContact ND1-CD1 3.97Å; H279-F339 AromaticContact NE2-CD1 3.32Å; H279-F339 VanDerWaalsContact NE2-CD1 3.32Å; H279-F339 WeakPolarHBondContact NE2-CD1 3.5Å; H279-F339 AromaticContact NE2-CE1 3.3Å; H279-F339 VanDerWaalsContact NE2-CE1 3.3Å; H279-F339 WeakPolarHBondContact NE2-CE1 3.5Å; M300-F339 HydrophobicContact CE-CE1 4.18Å; M300-F339 HydrophobicContact CE-CZ 4.29Å; M300-F339 WeakPolarHBondContact O-CE2 3.4Å; M300-F339 WeakPolarHBondContact O-CZ 3.37Å; N302-F339 WeakPolarHBondContact OD1-CE2 3.32Å; D303-F339 HydrophobicContact CB-CE2 4.01Å; D303-F339 HydrophobicContact CB-CZ 4.19Å; S316-F339 VanDerWaalsContact CB-CD1 3.48Å; I318-F339 HydrophobicContact CD1-CE1 4.41Å; D337-F339 PolarHBondContact O-N 3.22Å; F339-W341 HydrophobicContact CD2-CB 4.46Å; F339-W341 HydrophobicContact CE2-CB 3.67Å; F339-W341 HydrophobicContact CZ-CB 3.77Å; F339-W341 HydrophobicContact CZ-CG 4.41Å
340	K	95.5	Very high	97.3	Very high	83 Å²	83	41.9 Å²	41.9	36%	0.361	24%	0.235	S	C	.	.			trans	-118.7	-18.6	-173.6	-73.8	175.1	-172.4	179.3	0	114.2	D338 G342 K343	D338-K340 PolarHBondContact O-N 3.49Å; K340-G342 PolarHBondContact O-N 3.45Å; K340-K343 VanDerWaalsContact O-CB 3.24Å; K340-K343 WeakPolarHBondContact O-CB 3.44Å; K340-K343 PolarHBondContact O-N 3.38Å; K340-K343 VanDerWaalsContact O-N 3.08Å
341	W	97.4	Very high	97.3	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	127.5	178.4	178.7	-83.1	0	0	0	111	H279 R298 I299 N302 F339 K343 F349 P370 Y383 F426 V431	H279-W341 PolarHBondContact NE2-O 2.8Å; R298-W341 PolarHBondContact O-NE1 2.64Å; I299-W341 PolarHBondContact O-NE1 2.8Å; N302-W341 WeakPolarHBondContact OD1-CB 3.27Å; F339-W341 HydrophobicContact CD2-CB 4.46Å; F339-W341 HydrophobicContact CE2-CB 3.67Å; F339-W341 HydrophobicContact CZ-CB 3.77Å; F339-W341 HydrophobicContact CZ-CG 4.41Å; W341-K343 PolarHBondContact O-N 2.99Å; W341-K343 VanDerWaalsContact O-N 3.14Å; W341-F349 HydrophobicContact CZ2-CZ 4.46Å; W341-F349 AromaticContact NE1-CZ 3.53Å; W341-P370 HydrophobicContact CD2-CB 4.3Å; W341-P370 HydrophobicContact CD2-CG 4.04Å; W341-P370 HydrophobicContact CE3-CB 3.78Å; W341-P370 HydrophobicContact CE3-CG 4.02Å; W341-P370 HydrophobicContact CH2-CB 3.62Å; W341-P370 HydrophobicContact CH2-CG 3.59Å; W341-P370 HydrophobicContact CZ2-CB 4.17Å; W341-P370 HydrophobicContact CZ2-CG 3.62Å; W341-P370 HydrophobicContact CZ3-CB 3.41Å; W341-P370 VanDerWaalsContact CZ3-CB 3.41Å; W341-P370 HydrophobicContact CZ3-CG 3.81Å; W341-Y383 AromaticContact CE3-CD1 3.59Å; W341-Y383 HydrophobicContact CE3-CD1 3.59Å; W341-Y383 HydrophobicContact CE3-CD2 4.21Å; W341-Y383 HydrophobicContact CE3-CE1 4.01Å; W341-Y383 AromaticContact CE3-CG 3.69Å; W341-Y383 HydrophobicContact CE3-CG 3.69Å; W341-Y383 AromaticContact CZ3-CD1 3.86Å; W341-Y383 HydrophobicContact CZ3-CD1 3.86Å; W341-Y383 AromaticContact CZ3-CE1 3.84Å; W341-Y383 HydrophobicContact CZ3-CE1 3.84Å; W341-Y383 HydrophobicContact CZ3-CG 4.37Å; W341-F426 HydrophobicContact CH2-CD1 4.39Å; W341-F426 AromaticContact CH2-CE1 3.65Å; W341-F426 HydrophobicContact CH2-CE1 3.65Å; W341-F426 HydrophobicContact CH2-CZ 4.3Å; W341-F426 HydrophobicContact CZ2-CD1 4.4Å; W341-F426 AromaticContact CZ2-CE1 3.84Å; W341-F426 HydrophobicContact CZ2-CE1 3.84Å; W341-V431 HydrophobicContact CH2-CG1 3.47Å; W341-V431 VanDerWaalsContact CH2-CG1 3.47Å; W341-V431 HydrophobicContact CH2-CG2 4.16Å; W341-V431 HydrophobicContact CZ3-CG1 3.81Å
342	G	97.7	Very high	97.4	Very high	3 Å²	3	40.6 Å²	40.6	3%	0.031	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	-2.9	-179.6	0	0	0	0	0	115.8	F280 K340 G344 L345 F349	F280-G342 WeakPolarHBondContact CD1-O 3.47Å; K340-G342 PolarHBondContact O-N 3.45Å; G342-G344 PolarHBondContact O-N 3.44Å; G342-L345 WeakPolarHBondContact O-CB 3.47Å; G342-L345 PolarHBondContact O-N 2.85Å; G342-L345 VanDerWaalsContact O-N 3.14Å; G342-F349 VanDerWaalsContact CA-CE1 3.48Å
343	K	97.3	Very high	97.4	Very high	108 Å²	108	37.2 Å²	37.2	47%	0.47	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	122.1	-171.7	-167.6	173.2	-172.7	167.6	0	111.6	H279 D338 K340 W341 L345	H279-K343 CarbonylContact O-C 3.58Å; H279-K343 VanDerWaalsContact O-CA 3.29Å; H279-K343 WeakPolarHBondContact O-CA 3.32Å; D338-K343 IonicContact OD1-NZ 3.42Å; D338-K343 PolarHBondContact OD1-NZ 2.79Å; D338-K343 VanDerWaalsContact OD1-NZ 3.17Å; K340-K343 VanDerWaalsContact O-CB 3.24Å; K340-K343 WeakPolarHBondContact O-CB 3.44Å; K340-K343 PolarHBondContact O-N 3.38Å; K340-K343 VanDerWaalsContact O-N 3.08Å; W341-K343 PolarHBondContact O-N 2.99Å; W341-K343 VanDerWaalsContact O-N 3.14Å; K343-L345 PolarHBondContact O-N 3.14Å
344	G	97.2	Very high	97.4	Very high	42 Å²	42	35.3 Å²	35.3	43%	0.433	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	20	179.9	0	0	0	0	0	115	H279 G342 G346	H279-G344 PolarHBondContact O-N 2.79Å; G342-G344 PolarHBondContact O-N 3.44Å; G344-G346 VanDerWaalsContact C-N 3.34Å
345	L	97.9	Very high	97.4	Very high	30 Å²	30	31.9 Å²	31.9	16%	0.157	18%	0.175	C	C	.	.			trans	-83.8	-10	-177.9	-61	-172.9	0	0	0	114	F280 G342 K343 F349 Y357 R361	F280-L345 PolarHBondContact O-N 2.96Å; G342-L345 WeakPolarHBondContact O-CB 3.47Å; G342-L345 PolarHBondContact O-N 2.85Å; G342-L345 VanDerWaalsContact O-N 3.14Å; K343-L345 PolarHBondContact O-N 3.14Å; L345-F349 HydrophobicContact CB-CB 3.61Å; L345-F349 HydrophobicContact CB-CD1 4.28Å; L345-F349 HydrophobicContact CB-CD2 4.27Å; L345-F349 HydrophobicContact CB-CG 3.8Å; L345-F349 HydrophobicContact CD1-CD1 4.43Å; L345-F349 HydrophobicContact CD1-CD2 3.71Å; L345-F349 HydrophobicContact CD1-CE2 3.93Å; L345-F349 HydrophobicContact CD1-CG 3.99Å; L345-F349 HydrophobicContact CD1-CZ 4.41Å; L345-Y357 HydrophobicContact CB-CE2 4.37Å; L345-R361 PolarHBondContact O-NH2 3.2Å
346	G	98	Very high	97.4	Very high	15 Å²	15	30.9 Å²	30.9	16%	0.155	17%	0.17	C	C	.	.			trans	83.5	178.2	172.4	0	0	0	0	0	114.4	F280 D281 G344 D348 F349	F280-G346 WeakPolarHBondContact O-CA 3.38Å; F280-G346 PolarHBondContact O-N 3.08Å; D281-G346 WeakPolarHBondContact O-CA 3.42Å; G344-G346 VanDerWaalsContact C-N 3.34Å; G346-D348 PolarHBondContact O-N 2.82Å; G346-F349 WeakPolarHBondContact O-CB 3.43Å; G346-F349 PolarHBondContact O-N 2.93Å
347	C	98.5	Very high	97.5	Very high	29 Å²	29	30 Å²	30	20%	0.196	16%	0.162	C	C	.	.	H	α-helix	trans	-61.9	-27.6	-179.5	-64.8	0	0	0	0	113.9	C282 F349 V350 L351	C282-C347 WeakPolarHBondContact CA-SG 3.48Å; C282-C347 HydrophobicContact CB-CB 3.97Å; C282-C347 WeakPolarHBondContact CB-SG 3.41Å; C282-C347 WeakPolarHBondContact SG-CA 3.29Å; C282-C347 WeakPolarHBondContact SG-CB 3.34Å; C282-C347 CovalentContact SG-SG 2.04Å; C282-C347 PolarHBondContact SG-SG 3.17Å; C347-F349 PolarHBondContact O-N 3.34Å; C347-V350 PolarHBondContact O-N 2.75Å; C347-L351 HydrophobicContact CB-CD1 4.18Å; C347-L351 HydrophobicContact CB-CG 4.5Å; C347-L351 WeakPolarHBondContact O-CB 3.36Å; C347-L351 PolarHBondContact O-N 2.81Å
348	D	98	Very high	97.6	Very high	32 Å²	32	27.3 Å²	27.3	17%	0.171	15%	0.147	C	C	.	.	H	α-helix	trans	-60.6	-29.7	175.4	-75.5	-29.9	0	0	0	111.9	G346 K352 Y357 K360 R364	G346-D348 PolarHBondContact O-N 2.82Å; D348-K352 HydrophobicContact CB-CD 4.1Å; D348-K352 WeakPolarHBondContact O-CB 3.31Å; D348-K352 WeakPolarHBondContact OD1-CD 3.33Å; D348-K352 WeakPolarHBondContact OD1-CE 3.49Å; D348-Y357 HydrophobicContact CB-CD2 4.17Å; D348-K360 IonicContact OD1-NZ 3.91Å; D348-K360 PolarHBondContact OD1-NZ 2.5Å; D348-K360 WeakPolarHBondContact OD2-CD 3.34Å; D348-K360 IonicContact OD2-NZ 2.75Å; D348-R364 IonicContact OD2-NH1 3.05Å
349	F	98.4	Very high	97.8	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-75.5	-46.1	179.4	177.5	-105.4	0	0	0	112.3	F280 R298 W341 G342 L345 G346 C347 Y357 P370 Y371	F280-F349 HydrophobicContact CD1-CD1 4.21Å; F280-F349 HydrophobicContact CD1-CE1 4.31Å; F280-F349 HydrophobicContact CE1-CD1 4.47Å; F280-F349 HydrophobicContact CE1-CE1 4.13Å; R298-F349 PolarHBondContact NH1-O 3.05Å; W341-F349 HydrophobicContact CZ2-CZ 4.46Å; W341-F349 AromaticContact NE1-CZ 3.53Å; G342-F349 VanDerWaalsContact CA-CE1 3.48Å; L345-F349 HydrophobicContact CB-CB 3.61Å; L345-F349 HydrophobicContact CB-CD1 4.28Å; L345-F349 HydrophobicContact CB-CD2 4.27Å; L345-F349 HydrophobicContact CB-CG 3.8Å; L345-F349 HydrophobicContact CD1-CD1 4.43Å; L345-F349 HydrophobicContact CD1-CD2 3.71Å; L345-F349 HydrophobicContact CD1-CE2 3.93Å; L345-F349 HydrophobicContact CD1-CG 3.99Å; L345-F349 HydrophobicContact CD1-CZ 4.41Å; G346-F349 WeakPolarHBondContact O-CB 3.43Å; G346-F349 PolarHBondContact O-N 2.93Å; C347-F349 PolarHBondContact O-N 3.34Å; F349-Y357 HydrophobicContact CB-CD2 3.95Å; F349-Y357 HydrophobicContact CB-CE2 3.78Å; F349-Y357 HydrophobicContact CD2-CD2 4.35Å; F349-Y357 HydrophobicContact CD2-CE2 4.07Å; F349-Y357 HydrophobicContact CG-CE2 4.42Å; F349-P370 HydrophobicContact CE2-CG 3.91Å; F349-P370 HydrophobicContact CZ-CG 4.22Å; F349-Y371 AromaticContact CD2-CE2 3.84Å; F349-Y371 HydrophobicContact CD2-CE2 3.84Å; F349-Y371 AromaticContact CE2-CE2 3.64Å; F349-Y371 HydrophobicContact CE2-CE2 3.64Å; F349-Y371 AromaticContact CE2-CZ 3.88Å
350	V	98.1	Very high	97.8	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.018	16%	0.162	C	C	.	.	H	α-helix	trans	-87.5	-32.2	-171.9	-63	0	0	0	0	113.6	F280 C282 L285 R298 I299 C347	F280-V350 HydrophobicContact CB-CG1 4.02Å; F280-V350 HydrophobicContact CD1-CG1 3.72Å; F280-V350 HydrophobicContact CD2-CG1 4.01Å; F280-V350 HydrophobicContact CE1-CG1 4.18Å; F280-V350 HydrophobicContact CE2-CG1 4.44Å; F280-V350 HydrophobicContact CG-CG1 3.65Å; C282-V350 HydrophobicContact CB-CG2 4Å; L285-V350 HydrophobicContact CD1-CB 4.11Å; L285-V350 HydrophobicContact CD1-CG2 3.85Å; R298-V350 PolarHBondContact NH1-O 3.2Å; R298-V350 PolarHBondContact NH2-O 3.08Å; I299-V350 HydrophobicContact CD1-CB 4.04Å; I299-V350 HydrophobicContact CD1-CG1 4.17Å; I299-V350 HydrophobicContact CG2-CG1 4.36Å; C347-V350 PolarHBondContact O-N 2.75Å
351	L	98.1	Very high	97.9	Very high	35 Å²	35	29.3 Å²	29.3	18%	0.183	15%	0.152	C	C	.	.	H	α-helix	trans	-100.4	-8.1	-173.4	-55.6	-174.3	0	0	0	114.7	L251 E284 L285 C347	L251-L351 HydrophobicContact CD2-CD2 4.3Å; E284-L351 HydrophobicContact CB-CD1 4Å; L285-L351 HydrophobicContact CD1-CD2 4.19Å; C347-L351 HydrophobicContact CB-CD1 4.18Å; C347-L351 HydrophobicContact CB-CG 4.5Å; C347-L351 WeakPolarHBondContact O-CB 3.36Å; C347-L351 PolarHBondContact O-N 2.81Å
352	K	98.3	Very high	97.8	Very high	46 Å²	46	33.2 Å²	33.2	20%	0.2	17%	0.169	C	C	.	.	S	Bend	trans	-119.9	165.9	-177.7	-56	175.9	168	-86.6	0	111.5	R298 D348 E356	R298-K352 PolarHBondContact NH1-O 3.45Å; D348-K352 HydrophobicContact CB-CD 4.1Å; D348-K352 WeakPolarHBondContact O-CB 3.31Å; D348-K352 WeakPolarHBondContact OD1-CD 3.33Å; D348-K352 WeakPolarHBondContact OD1-CE 3.49Å; K352-E356 HydrophobicContact CB-CB 4.2Å; K352-E356 HydrophobicContact CD-CB 4.48Å; K352-E356 VanDerWaalsContact CD-CD 3.5Å; K352-E356 HydrophobicContact CD-CG 4.21Å; K352-E356 VanDerWaalsContact CD-OE2 3.3Å; K352-E356 WeakPolarHBondContact CD-OE2 3.28Å; K352-E356 IonicContact NZ-OE1 2.66Å; K352-E356 PolarHBondContact NZ-OE1 3.02Å; K352-E356 IonicContact NZ-OE2 3.47Å; K352-E356 PolarHBondContact NZ-OE2 3.38Å
353	S	98.3	Very high	97.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.			trans	-62.4	153	168.6	69.3	0	0	0	0	110.9	W253 L254 Y355 E356 Y357	W253-S353 VanDerWaalsContact CE2-CB 3.48Å; L254-S353 VanDerWaalsContact O-CB 3.28Å; L254-S353 WeakPolarHBondContact O-CB 3.46Å; L254-S353 PolarHBondContact O-OG 2.82Å; S353-Y355 PolarHBondContact O-N 3Å; S353-E356 PolarHBondContact O-N 2.87Å; S353-E356 PolarHBondContact OG-N 3.34Å; S353-E356 VanDerWaalsContact OG-N 3.11Å; S353-Y357 PolarHBondContact O-N 3.37Å
354	C	98.2	Very high	97.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.3	-32.9	171.9	49.6	0	0	0	0	112.2	Y357 I358 Y371 Y405 C429	C354-Y357 PolarHBondContact O-N 3.19Å; C354-I358 HydrophobicContact CB-CD1 4.42Å; C354-I358 VanDerWaalsContact O-CB 3.29Å; C354-I358 WeakPolarHBondContact O-CB 3.1Å; C354-I358 WeakPolarHBondContact O-CD1 3.41Å; C354-I358 WeakPolarHBondContact O-CG1 3.19Å; C354-I358 PolarHBondContact O-N 3.15Å; C354-Y371 HydrophobicContact CB-CD1 3.79Å; C354-Y371 HydrophobicContact CB-CD2 4.01Å; C354-Y371 HydrophobicContact CB-CE1 3.51Å; C354-Y371 HydrophobicContact CB-CE2 3.73Å; C354-Y371 HydrophobicContact CB-CG 4.03Å; C354-Y371 VanDerWaalsContact CB-CZ 3.47Å; C354-Y405 WeakPolarHBondContact SG-CD2 3.01Å; C354-Y405 WeakPolarHBondContact SG-CE2 3.1Å; C354-C429 HydrophobicContact CB-CB 3.57Å; C354-C429 WeakPolarHBondContact CB-SG 3.5Å; C354-C429 WeakPolarHBondContact SG-CA 3.29Å; C354-C429 WeakPolarHBondContact SG-CB 3.24Å; C354-C429 CovalentContact SG-SG 2.02Å; C354-C429 PolarHBondContact SG-SG 2.78Å
355	Y	98.2	Very high	97.7	Very high	23 Å²	23	41 Å²	41	9%	0.09	22%	0.219	C	C	.	.	H	α-helix	trans	-61.7	-48.3	175.9	176.2	-110.7	0	0	0	112.6	L254 S255 S353 Y357 I358 K359 Y405 D407	L254-Y355 HydrophobicContact CD2-CD1 4.03Å; L254-Y355 HydrophobicContact CD2-CE1 3.92Å; L254-Y355 HydrophobicContact CG-CD1 3.82Å; L254-Y355 HydrophobicContact CG-CE1 3.86Å; S255-Y355 VanDerWaalsContact C-CD1 3.46Å; S255-Y355 VanDerWaalsContact C-CE1 3.45Å; S255-Y355 VanDerWaalsContact O-CE1 3.24Å; S255-Y355 WeakPolarHBondContact O-CE1 3.39Å; S353-Y355 PolarHBondContact O-N 3Å; Y355-Y357 VanDerWaalsContact C-N 3.35Å; Y355-Y357 PolarHBondContact O-N 3.42Å; Y355-I358 PolarHBondContact O-N 3.39Å; Y355-K359 WeakPolarHBondContact O-CB 3.36Å; Y355-K359 PolarHBondContact O-N 3.19Å; Y355-Y405 WeakPolarHBondContact CD2-O 3.49Å; Y355-Y405 WeakPolarHBondContact CE2-O 3.38Å; Y355-Y405 HydrophobicContact CG-CD1 4.38Å; Y355-D407 HydrophobicContact CE2-CB 4.05Å; Y355-D407 WeakPolarHBondContact CE2-OD2 3.29Å; Y355-D407 PolarHBondContact OH-OD2 2.86Å
356	E	98.2	Very high	97.6	Very high	28 Å²	28	43.8 Å²	43.8	13%	0.131	23%	0.232	C	C	.	.	H	α-helix	trans	-64.1	-43.1	177.3	-159.6	-176.1	160.4	0	0	111.5	L254 K352 S353 K359 K360	L254-E356 HydrophobicContact CB-CB 4.08Å; L254-E356 HydrophobicContact CB-CG 4.3Å; L254-E356 HydrophobicContact CD2-CB 4.11Å; L254-E356 HydrophobicContact CD2-CG 3.83Å; K352-E356 HydrophobicContact CB-CB 4.2Å; K352-E356 HydrophobicContact CD-CB 4.48Å; K352-E356 VanDerWaalsContact CD-CD 3.5Å; K352-E356 HydrophobicContact CD-CG 4.21Å; K352-E356 VanDerWaalsContact CD-OE2 3.3Å; K352-E356 WeakPolarHBondContact CD-OE2 3.28Å; K352-E356 IonicContact NZ-OE1 2.66Å; K352-E356 PolarHBondContact NZ-OE1 3.02Å; K352-E356 IonicContact NZ-OE2 3.47Å; K352-E356 PolarHBondContact NZ-OE2 3.38Å; S353-E356 PolarHBondContact O-N 2.87Å; S353-E356 PolarHBondContact OG-N 3.34Å; S353-E356 VanDerWaalsContact OG-N 3.11Å; E356-K359 PolarHBondContact O-N 3.38Å; E356-K360 WeakPolarHBondContact O-CG 3.07Å; E356-K360 PolarHBondContact O-N 3.09Å; E356-K360 WeakPolarHBondContact OE1-CE 3.38Å; E356-K360 IonicContact OE1-NZ 3.89Å; E356-K360 PolarHBondContact OE1-NZ 2.85Å
357	Y	98.4	Very high	97.4	Very high	2 Å²	2	47 Å²	47	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-57.4	-52.6	176.7	171.7	-89.4	0	0	0	111.7	L345 D348 F349 S353 C354 Y355 K359 K360 R361 I368 Q369 Y371	L345-Y357 HydrophobicContact CB-CE2 4.37Å; D348-Y357 HydrophobicContact CB-CD2 4.17Å; F349-Y357 HydrophobicContact CB-CD2 3.95Å; F349-Y357 HydrophobicContact CB-CE2 3.78Å; F349-Y357 HydrophobicContact CD2-CD2 4.35Å; F349-Y357 HydrophobicContact CD2-CE2 4.07Å; F349-Y357 HydrophobicContact CG-CE2 4.42Å; S353-Y357 PolarHBondContact O-N 3.37Å; C354-Y357 PolarHBondContact O-N 3.19Å; Y355-Y357 VanDerWaalsContact C-N 3.35Å; Y355-Y357 PolarHBondContact O-N 3.42Å; Y357-K359 VanDerWaalsContact C-N 3.32Å; Y357-K359 PolarHBondContact O-N 3.41Å; Y357-K360 PolarHBondContact O-N 2.91Å; Y357-R361 HydrophobicContact CD1-CG 4.29Å; Y357-R361 HydrophobicContact CD2-CG 4.41Å; Y357-R361 HydrophobicContact CE1-CG 3.83Å; Y357-R361 HydrophobicContact CE2-CG 3.99Å; Y357-R361 WeakPolarHBondContact O-CB 3.01Å; Y357-R361 WeakPolarHBondContact O-CG 3.36Å; Y357-R361 PolarHBondContact O-N 3Å; Y357-R361 VanDerWaalsContact OH-CZ 3.23Å; Y357-R361 PolarHBondContact OH-NE 3.45Å; Y357-I368 WeakPolarHBondContact CE1-O 3.36Å; Y357-Q369 PolarHBondContact OH-O 3.44Å; Y357-Y371 AromaticContact CD1-CD2 3.46Å; Y357-Y371 HydrophobicContact CD1-CD2 3.46Å; Y357-Y371 VanDerWaalsContact CD1-CD2 3.46Å; Y357-Y371 AromaticContact CD1-CE2 3.75Å; Y357-Y371 HydrophobicContact CD1-CE2 3.75Å; Y357-Y371 AromaticContact CE1-CD2 3.71Å; Y357-Y371 HydrophobicContact CE1-CD2 3.71Å; Y357-Y371 HydrophobicContact CE1-CE2 4.16Å; Y357-Y371 HydrophobicContact CG-CD2 4.39Å; Y357-Y371 HydrophobicContact CG-CE2 4.26Å
358	I	97.8	Very high	97.4	Very high	17 Å²	17	46.2 Å²	46.2	9%	0.087	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-47.1	179.7	-70.8	162.9	0	0	0	109.5	C354 Y355 K360 R361 K362 I368 Y371 P430	C354-I358 HydrophobicContact CB-CD1 4.42Å; C354-I358 VanDerWaalsContact O-CB 3.29Å; C354-I358 WeakPolarHBondContact O-CB 3.1Å; C354-I358 WeakPolarHBondContact O-CD1 3.41Å; C354-I358 WeakPolarHBondContact O-CG1 3.19Å; C354-I358 PolarHBondContact O-N 3.15Å; Y355-I358 PolarHBondContact O-N 3.39Å; I358-K360 PolarHBondContact O-N 2.97Å; I358-R361 PolarHBondContact O-N 2.04Å; I358-K362 HydrophobicContact CG2-CD 4.02Å; I358-K362 HydrophobicContact CG2-CG 4.34Å; I358-K362 WeakPolarHBondContact O-CB 3.32Å; I358-K362 WeakPolarHBondContact O-CG 3.06Å; I358-K362 PolarHBondContact O-N 3.14Å; I358-I368 HydrophobicContact CG1-CB 4.42Å; I358-I368 HydrophobicContact CG2-CD1 4.3Å; I358-I368 HydrophobicContact CG2-CG2 4.19Å; I358-Y371 HydrophobicContact CD1-CG 4.27Å; I358-Y371 HydrophobicContact CG1-CD2 4.33Å; I358-Y371 HydrophobicContact CG1-CG 4.36Å; I358-P430 HydrophobicContact CD1-CG 4.4Å
359	K	96.8	Very high	97.3	Very high	112 Å²	112	45.7 Å²	45.7	49%	0.487	24%	0.236	S	C	.	.	H	α-helix	trans	-59.2	-45.7	179.9	-173.1	172.9	-177.9	171.3	0	112.1	Y355 E356 Y357 S363	Y355-K359 WeakPolarHBondContact O-CB 3.36Å; Y355-K359 PolarHBondContact O-N 3.19Å; E356-K359 PolarHBondContact O-N 3.38Å; Y357-K359 VanDerWaalsContact C-N 3.32Å; Y357-K359 PolarHBondContact O-N 3.41Å; K359-S363 WeakPolarHBondContact O-CB 3.47Å; K359-S363 PolarHBondContact O-N 3.07Å; K359-S363 PolarHBondContact O-OG 3.15Å
360	K	97.5	Very high	97.3	Very high	50 Å²	50	45.7 Å²	45.7	22%	0.217	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-40	178.3	-74.6	-176.1	178.2	-168.1	0	113.2	D348 E356 Y357 I358 S363 R364	D348-K360 IonicContact OD1-NZ 3.91Å; D348-K360 PolarHBondContact OD1-NZ 2.5Å; D348-K360 WeakPolarHBondContact OD2-CD 3.34Å; D348-K360 IonicContact OD2-NZ 2.75Å; E356-K360 WeakPolarHBondContact O-CG 3.07Å; E356-K360 PolarHBondContact O-N 3.09Å; E356-K360 WeakPolarHBondContact OE1-CE 3.38Å; E356-K360 IonicContact OE1-NZ 3.89Å; E356-K360 PolarHBondContact OE1-NZ 2.85Å; Y357-K360 PolarHBondContact O-N 2.91Å; I358-K360 PolarHBondContact O-N 2.97Å; K360-S363 PolarHBondContact O-OG 3.47Å; K360-R364 VanDerWaalsContact O-CG 3.32Å; K360-R364 WeakPolarHBondContact O-CG 3.28Å; K360-R364 PolarHBondContact O-N 3.32Å
361	R	97.6	Very high	97.3	Very high	39 Å²	39	45.7 Å²	45.7	15%	0.147	24%	0.235	C	C	.	.	H	α-helix	trans	-65	-48	176.8	-76.1	-67.6	-173.2	124.5	-11.4	110.8	L345 Y357 I358 S363 R364 G365 Q366 D367 I368	L345-R361 PolarHBondContact O-NH2 3.2Å; Y357-R361 HydrophobicContact CD1-CG 4.29Å; Y357-R361 HydrophobicContact CD2-CG 4.41Å; Y357-R361 HydrophobicContact CE1-CG 3.83Å; Y357-R361 HydrophobicContact CE2-CG 3.99Å; Y357-R361 WeakPolarHBondContact O-CB 3.01Å; Y357-R361 WeakPolarHBondContact O-CG 3.36Å; Y357-R361 PolarHBondContact O-N 3Å; Y357-R361 VanDerWaalsContact OH-CZ 3.23Å; Y357-R361 PolarHBondContact OH-NE 3.45Å; I358-R361 PolarHBondContact O-N 2.04Å; R361-S363 PolarHBondContact O-N 2.96Å; R361-R364 CarbonylContact O-C 3.49Å; R361-R364 PolarHBondContact O-N 2.9Å; R361-R364 VanDerWaalsContact O-N 3.07Å; R361-G365 PolarHBondContact O-N 3.31Å; R361-G365 VanDerWaalsContact O-N 3.14Å; R361-Q366 HydrophobicContact CB-CB 4.33Å; R361-Q366 PolarHBondContact O-N 3.02Å; R361-D367 WeakPolarHBondContact CD-O 3.2Å; R361-D367 PolarHBondContact NH1-O 3.33Å; R361-I368 HydrophobicContact CB-CG2 3.86Å
362	K	96.1	Very high	97.2	Very high	82 Å²	82	44 Å²	44	36%	0.357	23%	0.227	S	C	.	.	H	α-helix	trans	-57.4	-45.7	174.8	-75.7	-176.9	173.8	-175.8	0	112.5	I358 R364 G365 I368 D373	I358-K362 HydrophobicContact CG2-CD 4.02Å; I358-K362 HydrophobicContact CG2-CG 4.34Å; I358-K362 WeakPolarHBondContact O-CB 3.32Å; I358-K362 WeakPolarHBondContact O-CG 3.06Å; I358-K362 PolarHBondContact O-N 3.14Å; K362-R364 PolarHBondContact O-N 2.79Å; K362-R364 VanDerWaalsContact O-N 3.12Å; K362-G365 PolarHBondContact O-N 2.8Å; K362-I368 HydrophobicContact CG-CG2 3.86Å; K362-D373 WeakPolarHBondContact CE-OD2 3.28Å; K362-D373 IonicContact NZ-OD2 2.73Å; K362-D373 PolarHBondContact NZ-OD2 3.48Å
363	S	96.4	Very high	97	Very high	97 Å²	97	43.1 Å²	43.1	68%	0.678	22%	0.224	S	C	*	.	H	α-helix	trans	-63.6	-20.5	179.7	71.7	0	0	0	0	113.4	K359 K360 R361	K359-S363 WeakPolarHBondContact O-CB 3.47Å; K359-S363 PolarHBondContact O-N 3.07Å; K359-S363 PolarHBondContact O-OG 3.15Å; K360-S363 PolarHBondContact O-OG 3.47Å; R361-S363 PolarHBondContact O-N 2.96Å
364	R	97.2	Very high	96.7	Very high	145 Å²	145	46.4 Å²	46.4	55%	0.547	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	1.3	176.1	-64.9	171.4	-177	160.9	2	113.1	D348 K360 R361 K362 Q366	D348-R364 IonicContact OD2-NH1 3.05Å; K360-R364 VanDerWaalsContact O-CG 3.32Å; K360-R364 WeakPolarHBondContact O-CG 3.28Å; K360-R364 PolarHBondContact O-N 3.32Å; R361-R364 CarbonylContact O-C 3.49Å; R361-R364 PolarHBondContact O-N 2.9Å; R361-R364 VanDerWaalsContact O-N 3.07Å; K362-R364 PolarHBondContact O-N 2.79Å; K362-R364 VanDerWaalsContact O-N 3.12Å; R364-Q366 VanDerWaalsContact C-N 3.27Å; R364-Q366 HydrophobicContact CB-CG 3.92Å; R364-Q366 PolarHBondContact O-N 2.79Å
365	G	96.1	Very high	96.5	Very high	75 Å²	75	48.7 Å²	48.7	77%	0.773	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	27.9	-175	0	0	0	0	0	113.9	R361 K362	R361-G365 PolarHBondContact O-N 3.31Å; R361-G365 VanDerWaalsContact O-N 3.14Å; K362-G365 PolarHBondContact O-N 2.8Å
366	Q	95.7	Very high	96.1	Very high	88 Å²	88	53.8 Å²	53.8	41%	0.411	29%	0.287	S	S	.	.			trans	-99.3	154.4	-178.5	-65.4	177.8	-45	0	0	111.3	R361 R364	R361-Q366 HydrophobicContact CB-CB 4.33Å; R361-Q366 PolarHBondContact O-N 3.02Å; R364-Q366 VanDerWaalsContact C-N 3.27Å; R364-Q366 HydrophobicContact CB-CG 3.92Å; R364-Q366 PolarHBondContact O-N 2.79Å
367	D	94.7	Very high	95.9	Very high	84 Å²	84	54 Å²	54	45%	0.449	29%	0.288	S	S	.	.			trans	-58.5	139.7	170.7	-169.1	3.1	0	0	0	110.7	R361 Q369	R361-D367 WeakPolarHBondContact CD-O 3.2Å; R361-D367 PolarHBondContact NH1-O 3.33Å; D367-Q369 WeakPolarHBondContact OD1-CG 3.3Å; D367-Q369 PolarHBondContact OD1-N 3.19Å; D367-Q369 PolarHBondContact OD2-NE2 2.86Å
368	I	97.1	Very high	95.6	Very high	11 Å²	11	57.6 Å²	57.6	6%	0.056	31%	0.305	C	S	.	.			trans	-97.2	-4.9	-179.4	64.6	166.3	0	0	0	112.5	Y357 I358 R361 K362 Y371 D373	Y357-I368 WeakPolarHBondContact CE1-O 3.36Å; I358-I368 HydrophobicContact CG1-CB 4.42Å; I358-I368 HydrophobicContact CG2-CD1 4.3Å; I358-I368 HydrophobicContact CG2-CG2 4.19Å; R361-I368 HydrophobicContact CB-CG2 3.86Å; K362-I368 HydrophobicContact CG-CG2 3.86Å; I368-Y371 CarbonylContact C-O 3.46Å; I368-Y371 WeakPolarHBondContact O-CB 3.32Å; I368-Y371 PolarHBondContact O-N 2.68Å; I368-Y371 VanDerWaalsContact O-N 3.07Å; I368-D373 HydrophobicContact CD1-CB 4.21Å
369	Q	97.4	Very high	95.4	Very high	22 Å²	22	59.3 Å²	59.3	10%	0.103	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	145.7	176	-77.7	-164	74.5	0	0	112.4	Y357 D367 Y371 C380 S382 L432	Y357-Q369 PolarHBondContact OH-O 3.44Å; D367-Q369 WeakPolarHBondContact OD1-CG 3.3Å; D367-Q369 PolarHBondContact OD1-N 3.19Å; D367-Q369 PolarHBondContact OD2-NE2 2.86Å; Q369-Y371 VanDerWaalsContact C-N 3.3Å; Q369-C380 PolarHBondContact NE2-O 3.29Å; Q369-C380 PolarHBondContact OE1-O 3.2Å; Q369-S382 PolarHBondContact OE1-OG 3.21Å; Q369-L432 HydrophobicContact CG-CD2 4.44Å; Q369-L432 VanDerWaalsContact OE1-CD2 3.31Å
370	P	97.1	Very high	95.3	Very high	1 Å²	1	55 Å²	55	1%	0.006	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	cis	-81.3	0	9.7	34.7	-38	0	0	0	114.5	W341 F349 Y383 L432	W341-P370 HydrophobicContact CD2-CB 4.3Å; W341-P370 HydrophobicContact CD2-CG 4.04Å; W341-P370 HydrophobicContact CE3-CB 3.78Å; W341-P370 HydrophobicContact CE3-CG 4.02Å; W341-P370 HydrophobicContact CH2-CB 3.62Å; W341-P370 HydrophobicContact CH2-CG 3.59Å; W341-P370 HydrophobicContact CZ2-CB 4.17Å; W341-P370 HydrophobicContact CZ2-CG 3.62Å; W341-P370 HydrophobicContact CZ3-CB 3.41Å; W341-P370 VanDerWaalsContact CZ3-CB 3.41Å; W341-P370 HydrophobicContact CZ3-CG 3.81Å; F349-P370 HydrophobicContact CE2-CG 3.91Å; F349-P370 HydrophobicContact CZ-CG 4.22Å; P370-Y383 HydrophobicContact CB-CD1 4.29Å; P370-L432 PolarHBondContact O-N 3.13Å
371	Y	97.8	Very high	95.2	Very high	2 Å²	2	53 Å²	53	1%	0.008	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-75.9	166.4	174.2	-55.2	-63.9	0	0	0	112	F349 C354 Y357 I358 I368 Q369 C429 P430 V431	F349-Y371 AromaticContact CD2-CE2 3.84Å; F349-Y371 HydrophobicContact CD2-CE2 3.84Å; F349-Y371 AromaticContact CE2-CE2 3.64Å; F349-Y371 HydrophobicContact CE2-CE2 3.64Å; F349-Y371 AromaticContact CE2-CZ 3.88Å; C354-Y371 HydrophobicContact CB-CD1 3.79Å; C354-Y371 HydrophobicContact CB-CD2 4.01Å; C354-Y371 HydrophobicContact CB-CE1 3.51Å; C354-Y371 HydrophobicContact CB-CE2 3.73Å; C354-Y371 HydrophobicContact CB-CG 4.03Å; C354-Y371 VanDerWaalsContact CB-CZ 3.47Å; Y357-Y371 AromaticContact CD1-CD2 3.46Å; Y357-Y371 HydrophobicContact CD1-CD2 3.46Å; Y357-Y371 VanDerWaalsContact CD1-CD2 3.46Å; Y357-Y371 AromaticContact CD1-CE2 3.75Å; Y357-Y371 HydrophobicContact CD1-CE2 3.75Å; Y357-Y371 AromaticContact CE1-CD2 3.71Å; Y357-Y371 HydrophobicContact CE1-CD2 3.71Å; Y357-Y371 HydrophobicContact CE1-CE2 4.16Å; Y357-Y371 HydrophobicContact CG-CD2 4.39Å; Y357-Y371 HydrophobicContact CG-CE2 4.26Å; I358-Y371 HydrophobicContact CD1-CG 4.27Å; I358-Y371 HydrophobicContact CG1-CD2 4.33Å; I358-Y371 HydrophobicContact CG1-CG 4.36Å; I368-Y371 CarbonylContact C-O 3.46Å; I368-Y371 WeakPolarHBondContact O-CB 3.32Å; I368-Y371 PolarHBondContact O-N 2.68Å; I368-Y371 VanDerWaalsContact O-N 3.07Å; Q369-Y371 VanDerWaalsContact C-N 3.3Å; Y371-C429 HydrophobicContact CD1-CB 3.85Å; Y371-C429 HydrophobicContact CE1-CB 3.5Å; Y371-P430 WeakPolarHBondContact CA-O 3.27Å; Y371-P430 WeakPolarHBondContact CB-O 3.45Å; Y371-P430 WeakPolarHBondContact CD1-O 3.27Å; Y371-V431 HydrophobicContact CD1-CG2 3.7Å; Y371-V431 HydrophobicContact CE1-CG2 3.93Å
372	C	96.3	Very high	94.8	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.301	C	S	.	.			trans	-146.5	168.1	178.5	58.7	0	0	0	0	109.8	E377 C390 P430	C372-E377 VanDerWaalsContact CB-OE1 3.31Å; C372-E377 WeakPolarHBondContact CB-OE1 3.21Å; C372-C390 HydrophobicContact CB-CB 3.59Å; C372-C390 WeakPolarHBondContact CB-SG 3.13Å; C372-C390 WeakPolarHBondContact SG-CA 3.46Å; C372-C390 WeakPolarHBondContact SG-CB 3.39Å; C372-C390 CovalentContact SG-SG 2.02Å; C372-C390 PolarHBondContact SG-SG 2.88Å; C372-P430 PolarHBondContact N-O 2.83Å; C372-P430 VanDerWaalsContact O-CB 3.23Å; C372-P430 WeakPolarHBondContact O-CB 3.38Å; C372-P430 WeakPolarHBondContact O-CG 3.48Å
373	D	94.5	Very high	94.6	Very high	28 Å²	28	50.4 Å²	50.4	15%	0.15	29%	0.285	C	S	.	.			trans	-139.6	-6.9	-175	63.3	-24	0	0	0	113.8	K362 I368 L410	K362-D373 WeakPolarHBondContact CE-OD2 3.28Å; K362-D373 IonicContact NZ-OD2 2.73Å; K362-D373 PolarHBondContact NZ-OD2 3.48Å; I368-D373 HydrophobicContact CD1-CB 4.21Å; D373-L410 HydrophobicContact CB-CD2 4.31Å; D373-L410 VanDerWaalsContact O-CD2 3.22Å; D373-L410 WeakPolarHBondContact O-CD2 3.37Å
374	V	92.7	Very high	94.1	Very high	69 Å²	69	46.4 Å²	46.4	42%	0.418	26%	0.259	S	S	.	.	S	Bend	trans	-107.7	119.8	176	-179.3	0	0	0	0	109.4	L376 E377 C390	V374-L376 PolarHBondContact O-N 2.82Å; V374-E377 HydrophobicContact CB-CB 3.89Å; V374-E377 HydrophobicContact CB-CG 4Å; V374-E377 HydrophobicContact CG1-CB 4.02Å; V374-E377 VanDerWaalsContact O-CG 3.3Å; V374-E377 WeakPolarHBondContact O-CG 3.3Å; V374-E377 PolarHBondContact O-N 3.17Å; V374-C390 WeakPolarHBondContact O-CB 3.21Å; V374-C390 PolarHBondContact O-SG 2.84Å
375	P	92.3	Very high	93.8	Very high	48 Å²	48	41.2 Å²	41.2	31%	0.312	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	132.7	179.1	-26.8	34.4	0	0	0	112.6	E377 L392 F412	P375-E377 PolarHBondContact O-N 2.94Å; P375-L392 HydrophobicContact CG-CD2 3.95Å; P375-L392 HydrophobicContact CG-CG 4.13Å; P375-F412 HydrophobicContact CG-CE1 4.08Å; P375-F412 HydrophobicContact CG-CZ 3.54Å
376	L	90.9	Very high	93.6	Very high	130 Å²	130	37.7 Å²	37.7	68%	0.681	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	11	175.8	-51	175.2	0	0	0	114.8	V374 Q378 T389 C390	V374-L376 PolarHBondContact O-N 2.82Å; L376-Q378 PolarHBondContact O-N 2.88Å; L376-T389 HydrophobicContact CD2-CG2 4.44Å; L376-C390 PolarHBondContact N-O 2.71Å
377	E	92.8	Very high	93.5	Very high	33 Å²	33	33.7 Å²	33.7	15%	0.154	19%	0.187	C	C	.	.			trans	-59.7	142.4	172.3	72.7	174.1	-179.3	0	0	109.8	C372 V374 P375 K379 T389 C390	C372-E377 VanDerWaalsContact CB-OE1 3.31Å; C372-E377 WeakPolarHBondContact CB-OE1 3.21Å; V374-E377 HydrophobicContact CB-CB 3.89Å; V374-E377 HydrophobicContact CB-CG 4Å; V374-E377 HydrophobicContact CG1-CB 4.02Å; V374-E377 VanDerWaalsContact O-CG 3.3Å; V374-E377 WeakPolarHBondContact O-CG 3.3Å; V374-E377 PolarHBondContact O-N 3.17Å; P375-E377 PolarHBondContact O-N 2.94Å; E377-K379 VanDerWaalsContact CD-CE 3.5Å; E377-K379 IonicContact OE1-NZ 3.65Å; E377-K379 PolarHBondContact OE1-NZ 3.3Å; E377-K379 WeakPolarHBondContact OE2-CE 3.24Å; E377-K379 IonicContact OE2-NZ 2.62Å; E377-K379 PolarHBondContact OE2-NZ 2.9Å; E377-T389 CarbonylContact O-C 3.49Å; E377-T389 WeakPolarHBondContact O-CA 3.36Å; E377-C390 HydrophobicContact CG-CB 3.56Å; E377-C390 PolarHBondContact O-N 3.33Å
378	Q	92.8	Very high	93.4	Very high	77 Å²	77	29.7 Å²	29.7	36%	0.36	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.3	177.1	-60.3	-168.2	-56.6	0	0	109.5	L376 I387 G388 T389 P491	L376-Q378 PolarHBondContact O-N 2.88Å; Q378-I387 HydrophobicContact CB-CG2 4.37Å; Q378-G388 VanDerWaalsContact CA-O 3.28Å; Q378-G388 WeakPolarHBondContact CA-O 3.38Å; Q378-T389 HydrophobicContact CG-CG2 4.41Å; Q378-T389 PolarHBondContact NE2-OG1 3.24Å; Q378-P491 HydrophobicContact CB-CG 3.61Å; Q378-P491 WeakPolarHBondContact O-CD 3.02Å
379	K	94.3	Very high	93.3	Very high	52 Å²	52	30.7 Å²	30.7	23%	0.226	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	162	175.9	-69.8	174.2	-178.6	156	0	109.3	E377 A381 G388 L432 M472	E377-K379 VanDerWaalsContact CD-CE 3.5Å; E377-K379 IonicContact OE1-NZ 3.65Å; E377-K379 PolarHBondContact OE1-NZ 3.3Å; E377-K379 WeakPolarHBondContact OE2-CE 3.24Å; E377-K379 IonicContact OE2-NZ 2.62Å; E377-K379 PolarHBondContact OE2-NZ 2.9Å; K379-A381 PolarHBondContact O-N 2.68Å; K379-G388 PolarHBondContact N-O 3.36Å; K379-G388 PolarHBondContact O-N 3.21Å; K379-L432 HydrophobicContact CB-CD1 4.06Å; K379-L432 HydrophobicContact CB-CD2 3.66Å; K379-M472 HydrophobicContact CB-SD 4.14Å; K379-M472 HydrophobicContact CG-CE 4.21Å; K379-M472 HydrophobicContact CG-SD 4.4Å
380	C	94.3	Very high	93.2	Very high	22 Å²	22	29.7 Å²	29.7	15%	0.149	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	124.4	164.9	-63.4	0	0	0	0	110	Q369 S382 C470 F471 M472	Q369-C380 PolarHBondContact NE2-O 3.29Å; Q369-C380 PolarHBondContact OE1-O 3.2Å; C380-S382 PolarHBondContact O-N 2.76Å; C380-C470 WeakPolarHBondContact CA-SG 3.45Å; C380-C470 HydrophobicContact CB-CB 3.68Å; C380-C470 WeakPolarHBondContact CB-SG 3.46Å; C380-C470 WeakPolarHBondContact SG-CB 3.46Å; C380-C470 CovalentContact SG-SG 2.04Å; C380-C470 PolarHBondContact SG-SG 3.02Å; C380-F471 PolarHBondContact SG-N 2.68Å; C380-F471 VanDerWaalsContact SG-N 3.37Å; C380-F471 PolarHBondContact SG-O 3.08Å; C380-F471 VanDerWaalsContact SG-O 3.38Å; C380-M472 HydrophobicContact CB-SD 4.38Å; C380-M472 PolarHBondContact N-SD 3.28Å; C380-M472 VanDerWaalsContact N-SD 3.4Å
381	A	94.4	Very high	93.1	Very high	8 Å²	8	30.3 Å²	30.3	7%	0.066	17%	0.172	C	C	.	.			trans	-69.1	123.5	-179.6	0	0	0	0	0	110.9	K379 Y383 G384 G386 L432 V434	K379-A381 PolarHBondContact O-N 2.68Å; A381-Y383 HydrophobicContact CB-CD1 4.13Å; A381-Y383 HydrophobicContact CB-CE1 3.74Å; A381-Y383 PolarHBondContact O-N 3.13Å; A381-G384 PolarHBondContact O-N 3.22Å; A381-G386 PolarHBondContact N-O 2.02Å; A381-L432 HydrophobicContact CB-CD2 4.36Å; A381-V434 HydrophobicContact CB-CG2 3.49Å; A381-V434 VanDerWaalsContact CB-CG2 3.49Å
382	S	90.6	Very high	93	Very high	60 Å²	60	30.4 Å²	30.4	42%	0.42	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.6	-176.8	64.6	0	0	0	0	113.7	Q369 C380	Q369-S382 PolarHBondContact OE1-OG 3.21Å; C380-S382 PolarHBondContact O-N 2.76Å
383	Y	91	Very high	92.9	Very high	7 Å²	7	33.9 Å²	33.9	3%	0.027	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-11.5	-178.4	65.2	-88.8	0	0	0	114.2	N302 W341 P370 A381 L432 L433 V434	N302-Y383 HydrophobicContact CB-CD2 4.12Å; N302-Y383 HydrophobicContact CB-CE2 4.23Å; W341-Y383 AromaticContact CE3-CD1 3.59Å; W341-Y383 HydrophobicContact CE3-CD1 3.59Å; W341-Y383 HydrophobicContact CE3-CD2 4.21Å; W341-Y383 HydrophobicContact CE3-CE1 4.01Å; W341-Y383 AromaticContact CE3-CG 3.69Å; W341-Y383 HydrophobicContact CE3-CG 3.69Å; W341-Y383 AromaticContact CZ3-CD1 3.86Å; W341-Y383 HydrophobicContact CZ3-CD1 3.86Å; W341-Y383 AromaticContact CZ3-CE1 3.84Å; W341-Y383 HydrophobicContact CZ3-CE1 3.84Å; W341-Y383 HydrophobicContact CZ3-CG 4.37Å; P370-Y383 HydrophobicContact CB-CD1 4.29Å; A381-Y383 HydrophobicContact CB-CD1 4.13Å; A381-Y383 HydrophobicContact CB-CE1 3.74Å; A381-Y383 PolarHBondContact O-N 3.13Å; Y383-L432 WeakPolarHBondContact CE1-O 3.46Å; Y383-L432 PolarHBondContact OH-O 3.01Å; Y383-L432 VanDerWaalsContact OH-O 3.1Å; Y383-L433 WeakPolarHBondContact OH-CA 3.14Å; Y383-V434 PolarHBondContact OH-N 2.89Å
384	G	86.2	Confident	93	Very high	12 Å²	12	37.5 Å²	37.5	12%	0.124	20%	0.202	C	C	.	.	S	Bend	trans	-152.3	152.4	-173.8	0	0	0	0	0	112.3	A381 G386	A381-G384 PolarHBondContact O-N 3.22Å; G384-G386 VanDerWaalsContact C-N 3.26Å; G384-G386 PolarHBondContact O-N 3.33Å
385	N	90.8	Very high	93.1	Very high	37 Å²	37	35.7 Å²	35.7	20%	0.198	19%	0.189	C	C	.	.	S	Bend	trans	-79.9	75.1	179.6	-171.2	9.9	0	0	0	111.2	L444 C445 E446 S468 A469 C470	N385-L444 WeakPolarHBondContact O-CA 3.28Å; N385-C445 PolarHBondContact O-N 3.24Å; N385-E446 HydrophobicContact CB-CG 4.29Å; N385-E446 WeakPolarHBondContact ND2-CG 3.3Å; N385-E446 PolarHBondContact ND2-OE1 3.33Å; N385-S468 PolarHBondContact ND2-O 2.92Å; N385-A469 WeakPolarHBondContact OD1-CA 3.23Å; N385-C470 PolarHBondContact OD1-N 3.29Å
386	G	92.5	Very high	93.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-169	171.8	-176	0	0	0	0	0	114.4	A381 G384 A443	A381-G386 PolarHBondContact N-O 2.02Å; G384-G386 VanDerWaalsContact C-N 3.26Å; G384-G386 PolarHBondContact O-N 3.33Å; G386-A443 CarbonylContact C-O 3.57Å; G386-A443 WeakPolarHBondContact CA-O 3.49Å
387	I	92.5	Very high	93.5	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	111.1	-179.1	-60.1	172.9	0	0	0	108.3	Q378 Y437 A443 P491	Q378-I387 HydrophobicContact CB-CG2 4.37Å; I387-Y437 VanDerWaalsContact CD1-OH 3.32Å; I387-Y437 WeakPolarHBondContact CD1-OH 3.4Å; I387-A443 HydrophobicContact CB-CB 4.44Å; I387-A443 PolarHBondContact N-O 3.42Å; I387-A443 WeakPolarHBondContact O-CB 3.42Å; I387-P491 HydrophobicContact CG1-CB 4.15Å; I387-P491 HydrophobicContact CG1-CG 4.49Å; I387-P491 HydrophobicContact CG2-CB 4.09Å; I387-P491 HydrophobicContact CG2-CG 3.56Å
388	G	94.2	Very high	93.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	147.4	175.5	0	0	0	0	0	111.6	Q378 K379 L432 L433	Q378-G388 VanDerWaalsContact CA-O 3.28Å; Q378-G388 WeakPolarHBondContact CA-O 3.38Å; K379-G388 PolarHBondContact N-O 3.36Å; K379-G388 PolarHBondContact O-N 3.21Å; G388-L432 WeakPolarHBondContact O-CD1 3.41Å; G388-L433 CarbonylContact C-O 3.55Å; G388-L433 VanDerWaalsContact CA-O 3.3Å; G388-L433 WeakPolarHBondContact CA-O 3.23Å
389	T	94.2	Very high	93.9	Very high	33 Å²	33	42.3 Å²	42.3	20%	0.202	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135.2	173.7	-58.3	0	0	0	0	109.2	L376 E377 Q378 V391 L433	L376-T389 HydrophobicContact CD2-CG2 4.44Å; E377-T389 CarbonylContact O-C 3.49Å; E377-T389 WeakPolarHBondContact O-CA 3.36Å; Q378-T389 HydrophobicContact CG-CG2 4.41Å; Q378-T389 PolarHBondContact NE2-OG1 3.24Å; T389-V391 PolarHBondContact O-N 3.19Å; T389-V391 VanDerWaalsContact O-N 3.17Å; T389-L433 PolarHBondContact N-O 2.86Å; T389-L433 PolarHBondContact O-N 2.98Å
390	C	95.9	Very high	94.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	114.5	-178.5	-179.4	0	0	0	0	111.2	C372 V374 L376 E377 L392 L432	C372-C390 HydrophobicContact CB-CB 3.59Å; C372-C390 WeakPolarHBondContact CB-SG 3.13Å; C372-C390 WeakPolarHBondContact SG-CA 3.46Å; C372-C390 WeakPolarHBondContact SG-CB 3.39Å; C372-C390 CovalentContact SG-SG 2.02Å; C372-C390 PolarHBondContact SG-SG 2.88Å; V374-C390 WeakPolarHBondContact O-CB 3.21Å; V374-C390 PolarHBondContact O-SG 2.84Å; L376-C390 PolarHBondContact N-O 2.71Å; E377-C390 HydrophobicContact CG-CB 3.56Å; E377-C390 PolarHBondContact O-N 3.33Å; C390-L392 PolarHBondContact O-N 2.95Å; C390-L392 VanDerWaalsContact O-N 3.13Å; C390-L432 HydrophobicContact CB-CD1 4.47Å
391	V	94.9	Very high	94.2	Very high	15 Å²	15	48.2 Å²	48.2	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	88.4	176	-177.1	0	0	0	0	109.1	T389 F393 G422 F423 P430 V431 L433 H435	T389-V391 PolarHBondContact O-N 3.19Å; T389-V391 VanDerWaalsContact O-N 3.17Å; V391-F393 HydrophobicContact CG1-CD1 3.74Å; V391-F393 HydrophobicContact CG1-CE1 3.52Å; V391-G422 WeakPolarHBondContact O-CA 2.97Å; V391-F423 HydrophobicContact CB-CE2 4.4Å; V391-F423 HydrophobicContact CG1-CD2 3.68Å; V391-F423 HydrophobicContact CG1-CE2 3.49Å; V391-F423 VanDerWaalsContact CG1-CE2 3.49Å; V391-F423 HydrophobicContact CG1-CG 4.3Å; V391-F423 HydrophobicContact CG1-CZ 3.94Å; V391-F423 HydrophobicContact CG2-CE2 4.25Å; V391-P430 WeakPolarHBondContact O-CA 3.46Å; V391-V431 PolarHBondContact N-O 2.93Å; V391-L433 HydrophobicContact CB-CD1 4.46Å; V391-L433 HydrophobicContact CG2-CB 3.94Å; V391-L433 HydrophobicContact CG2-CD1 3.86Å; V391-L433 HydrophobicContact CG2-CG 4.06Å; V391-H435 WeakPolarHBondContact CG2-NE2 3.19Å
392	L	95.4	Very high	94.4	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.021	25%	0.245	C	C	.	.			trans	-139	109.7	174.3	173.5	55.3	0	0	0	108.2	P375 C390 M406 F412 Y420 P430	P375-L392 HydrophobicContact CG-CD2 3.95Å; P375-L392 HydrophobicContact CG-CG 4.13Å; C390-L392 PolarHBondContact O-N 2.95Å; C390-L392 VanDerWaalsContact O-N 3.13Å; L392-M406 HydrophobicContact CD1-CE 3.99Å; L392-M406 HydrophobicContact CD1-SD 3.71Å; L392-M406 HydrophobicContact CD2-CE 4.39Å; L392-M406 HydrophobicContact CD2-SD 3.85Å; L392-M406 HydrophobicContact CG-SD 4.38Å; L392-F412 HydrophobicContact CD2-CE2 4.4Å; L392-F412 HydrophobicContact CD2-CZ 4.41Å; L392-Y420 HydrophobicContact CD1-CD1 4.14Å; L392-Y420 HydrophobicContact CG-CD1 4.23Å; L392-P430 HydrophobicContact CB-CB 4.01Å; L392-P430 HydrophobicContact CD1-CB 4.21Å; L392-P430 HydrophobicContact CD2-CB 4.39Å; L392-P430 HydrophobicContact CG-CB 4.43Å
393	F	94.7	Very high	94.7	Very high	73 Å²	73	47.2 Å²	47.2	32%	0.32	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	163.9	-173.2	59.3	-96	0	0	0	112	V391 H395 Y420 G421 F423	V391-F393 HydrophobicContact CG1-CD1 3.74Å; V391-F393 HydrophobicContact CG1-CE1 3.52Å; F393-H395 AromaticContact CE2-CD2 3.92Å; F393-H395 AromaticContact CE2-CE1 3.47Å; F393-H395 VanDerWaalsContact CE2-CE1 3.47Å; F393-H395 WeakPolarHBondContact CE2-CE1 3.43Å; F393-H395 AromaticContact CE2-ND1 3.9Å; F393-H395 AromaticContact CE2-NE2 3.47Å; F393-H395 WeakPolarHBondContact CE2-NE2 3.15Å; F393-H395 AromaticContact CZ-CE1 3.77Å; F393-H395 AromaticContact CZ-NE2 3.83Å; F393-Y420 WeakPolarHBondContact O-CA 3.38Å; F393-G421 PolarHBondContact N-O 2.81Å; F393-G421 VanDerWaalsContact N-O 3.14Å; F393-G421 PolarHBondContact O-N 3.41Å; F393-G421 VanDerWaalsContact O-N 3.1Å; F393-G421 VanDerWaalsContact O-O 3.12Å; F393-F423 AromaticContact CE1-CD1 3.83Å; F393-F423 HydrophobicContact CE1-CD1 3.83Å; F393-F423 AromaticContact CE1-CE1 3.73Å; F393-F423 HydrophobicContact CE1-CE1 3.73Å; F393-F423 HydrophobicContact CE1-CG 4.38Å; F393-F423 HydrophobicContact CE1-CZ 4.22Å; F393-F423 AromaticContact CZ-CD1 3.73Å; F393-F423 HydrophobicContact CZ-CD1 3.73Å; F393-F423 AromaticContact CZ-CE1 3.83Å; F393-F423 HydrophobicContact CZ-CE1 3.83Å
394	K	95.4	Very high	95	Very high	103 Å²	103	46.9 Å²	46.9	45%	0.448	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	117.1	178.6	-168.1	174.4	-174.1	165.1	0	111	E416 K419 Y420	K394-E416 IonicContact NZ-OE1 2.98Å; K394-K419 HydrophobicContact CG-CB 4.02Å; K394-Y420 HydrophobicContact CB-CD2 3.98Å; K394-Y420 HydrophobicContact CB-CE1 4.29Å; K394-Y420 HydrophobicContact CB-CE2 3.64Å; K394-Y420 HydrophobicContact CB-CG 4.5Å; K394-Y420 HydrophobicContact CD-CE2 3.96Å; K394-Y420 HydrophobicContact CG-CD2 4.1Å; K394-Y420 HydrophobicContact CG-CE2 3.87Å
395	H	96.2	Very high	95.5	Very high	32 Å²	32	46.6 Å²	46.6	15%	0.148	23%	0.226	C	C	.	.			trans	-74.6	156.1	172.4	-69	-100.4	0	0	0	111.5	F393 L399 K419 G421 G422 Y428	F393-H395 AromaticContact CE2-CD2 3.92Å; F393-H395 AromaticContact CE2-CE1 3.47Å; F393-H395 VanDerWaalsContact CE2-CE1 3.47Å; F393-H395 WeakPolarHBondContact CE2-CE1 3.43Å; F393-H395 AromaticContact CE2-ND1 3.9Å; F393-H395 AromaticContact CE2-NE2 3.47Å; F393-H395 WeakPolarHBondContact CE2-NE2 3.15Å; F393-H395 AromaticContact CZ-CE1 3.77Å; F393-H395 AromaticContact CZ-NE2 3.83Å; H395-L399 HydrophobicContact CB-CD2 4Å; H395-K419 WeakPolarHBondContact CB-O 2.95Å; H395-K419 PolarHBondContact CD2-O 3.1Å; H395-K419 VanDerWaalsContact CD2-O 3.28Å; H395-K419 PolarHBondContact N-O 3.14Å; H395-G421 PolarHBondContact NE2-O 2.82Å; H395-G422 PolarHBondContact CE1-O 2.84Å; H395-G422 VanDerWaalsContact CE1-O 3.22Å; H395-G422 PolarHBondContact NE2-O 2.78Å; H395-Y428 AromaticContact CE1-CD1 3.71Å; H395-Y428 AromaticContact CE1-CE1 3.76Å; H395-Y428 AromaticContact NE2-CD1 3.87Å
396	K	95.1	Very high	95.8	Very high	190 Å²	190	45.1 Å²	45.1	83%	0.826	22%	0.218	S	C	*	.	S	Bend	trans	-63.1	-45.4	179.9	-176.9	179.4	177.8	-179.3	0	111.8
397	N	95.6	Very high	95.8	Very high	116 Å²	116	46.9 Å²	46.9	62%	0.62	23%	0.228	S	C	*	.	S	Bend	trans	-107.2	159.3	-178.7	-60.4	-31.1	0	0	0	110.1	L399	N397-L399 PolarHBondContact O-N 3.04Å
398	Q	96.6	Very high	95.7	Very high	109 Å²	109	53.3 Å²	53.3	51%	0.509	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-58.4	135.5	168.5	170.1	171.9	-7.9	0	0	110.2	E418	Q398-E418 HydrophobicContact CG-CB 4.17Å
399	L	97.6	Very high	95.4	Very high	12 Å²	12	57 Å²	57	6%	0.063	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-75	152	174.7	-59.1	-178.9	0	0	0	109.7	H395 N397 E401 Q404 E418 Y428	H395-L399 HydrophobicContact CB-CD2 4Å; N397-L399 PolarHBondContact O-N 3.04Å; L399-E401 PolarHBondContact O-N 3.35Å; L399-Q404 HydrophobicContact CB-CG 3.98Å; L399-Q404 PolarHBondContact O-NE2 2.84Å; L399-E418 PolarHBondContact N-O 3.13Å; L399-Y428 HydrophobicContact CD1-CD1 4.05Å; L399-Y428 HydrophobicContact CD1-CG 4.43Å; L399-Y428 HydrophobicContact CD2-CD1 3.56Å; L399-Y428 HydrophobicContact CD2-CE1 3.46Å; L399-Y428 VanDerWaalsContact CD2-CE1 3.46Å; L399-Y428 HydrophobicContact CD2-CG 4.42Å; L399-Y428 HydrophobicContact CG-CD1 4.42Å
400	N	97.5	Very high	95.1	Very high	105 Å²	105	56.4 Å²	56.4	56%	0.561	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-57	140.7	168.5	-173.2	-20.2	0	0	0	109.1	V402 N403 Q404	N400-V402 HydrophobicContact CB-CG1 4.21Å; N400-V402 PolarHBondContact O-N 2.93Å; N400-V402 VanDerWaalsContact O-N 3.1Å; N400-V402 PolarHBondContact OD1-N 2.84Å; N400-N403 CarbonylContact O-C 3.6Å; N400-N403 WeakPolarHBondContact O-CA 3.47Å; N400-N403 WeakPolarHBondContact O-CB 3.39Å; N400-N403 PolarHBondContact O-N 3.34Å; N400-Q404 PolarHBondContact O-N 3.08Å
401	E	97.7	Very high	94.7	Very high	93 Å²	93	62.4 Å²	62.4	44%	0.435	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-52.9	-32.6	-178.3	-60.5	-175.3	159.5	0	0	113.6	S255 K257 Y260 L399 N403 Q404	S255-E401 WeakPolarHBondContact CB-O 3.41Å; S255-E401 PolarHBondContact OG-O 2.8Å; K257-E401 HydrophobicContact CB-CB 3.99Å; K257-E401 HydrophobicContact CB-CG 4.47Å; K257-E401 HydrophobicContact CG-CB 4.09Å; K257-E401 HydrophobicContact CG-CG 4.31Å; Y260-E401 HydrophobicContact CE1-CB 4.37Å; Y260-E401 VanDerWaalsContact OH-CB 3.24Å; Y260-E401 WeakPolarHBondContact OH-CB 3.14Å; Y260-E401 PolarHBondContact OH-OE2 3.28Å; L399-E401 PolarHBondContact O-N 3.35Å; E401-N403 PolarHBondContact O-N 3.1Å; E401-Q404 PolarHBondContact O-N 3.44Å
402	V	97.5	Very high	94.5	Very high	18 Å²	18	63 Å²	63	11%	0.109	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-66.8	-18.8	175.3	71.7	0	0	0	0	113.7	W253 Y260 V262 N400 Y405	W253-V402 HydrophobicContact CB-CG2 4.43Å; W253-V402 HydrophobicContact CG-CG2 4.2Å; W253-V402 PolarHBondContact NE1-O 3.48Å; Y260-V402 HydrophobicContact CD1-CB 4.45Å; Y260-V402 HydrophobicContact CD2-CB 4.42Å; Y260-V402 HydrophobicContact CD2-CG2 4.35Å; Y260-V402 HydrophobicContact CG-CB 4.19Å; Y260-V402 HydrophobicContact CG-CG2 4.04Å; V262-V402 HydrophobicContact CG1-CG2 3.48Å; V262-V402 VanDerWaalsContact CG1-CG2 3.48Å; N400-V402 HydrophobicContact CB-CG1 4.21Å; N400-V402 PolarHBondContact O-N 2.93Å; N400-V402 VanDerWaalsContact O-N 3.1Å; N400-V402 PolarHBondContact OD1-N 2.84Å; V402-Y405 WeakPolarHBondContact O-CE1 3.28Å; V402-Y405 PolarHBondContact O-OH 3.41Å
403	N	98	Very high	94.4	Very high	28 Å²	28	66.6 Å²	66.6	15%	0.15	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-109.9	9.6	-179.7	-63.9	-19.8	0	0	0	112.9	N400 E401 Y428	N400-N403 CarbonylContact O-C 3.6Å; N400-N403 WeakPolarHBondContact O-CA 3.47Å; N400-N403 WeakPolarHBondContact O-CB 3.39Å; N400-N403 PolarHBondContact O-N 3.34Å; E401-N403 PolarHBondContact O-N 3.1Å; N403-Y428 HydrophobicContact CB-CD2 3.66Å; N403-Y428 HydrophobicContact CB-CE2 4.35Å; N403-Y428 HydrophobicContact CB-CG 4.06Å; N403-Y428 VanDerWaalsContact ND2-CD2 3.29Å; N403-Y428 WeakPolarHBondContact ND2-CD2 3.38Å; N403-Y428 VanDerWaalsContact ND2-CE2 3.32Å; N403-Y428 WeakPolarHBondContact ND2-CE2 3.48Å
404	Q	97.2	Very high	94.2	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.358	C	S	.	.			trans	-93.8	114.5	175	-66.7	-178.3	23.1	0	0	110	S255 S256 K257 L399 N400 E401	S255-Q404 VanDerWaalsContact CB-O 3.3Å; S255-Q404 WeakPolarHBondContact CB-O 3.26Å; S256-Q404 PolarHBondContact N-O 2.89Å; S256-Q404 PolarHBondContact OG-O 2.8Å; S256-Q404 VanDerWaalsContact OG-O 3.12Å; K257-Q404 HydrophobicContact CG-CB 4.35Å; L399-Q404 HydrophobicContact CB-CG 3.98Å; L399-Q404 PolarHBondContact O-NE2 2.84Å; N400-Q404 PolarHBondContact O-N 3.08Å; E401-Q404 PolarHBondContact O-N 3.44Å
405	Y	97	Very high	94	Very high	6 Å²	6	67.4 Å²	67.4	2%	0.024	36%	0.362	C	S	.	.			trans	-115.8	-7.8	-173.8	-54.8	-42.9	0	0	0	113.7	W253 C354 Y355 V402 D427	W253-Y405 PolarHBondContact NE1-OH 2.75Å; C354-Y405 WeakPolarHBondContact SG-CD2 3.01Å; C354-Y405 WeakPolarHBondContact SG-CE2 3.1Å; Y355-Y405 WeakPolarHBondContact CD2-O 3.49Å; Y355-Y405 WeakPolarHBondContact CE2-O 3.38Å; Y355-Y405 HydrophobicContact CG-CD1 4.38Å; V402-Y405 WeakPolarHBondContact O-CE1 3.28Å; V402-Y405 PolarHBondContact O-OH 3.41Å; Y405-D427 VanDerWaalsContact CE2-O 3.26Å; Y405-D427 WeakPolarHBondContact CE2-O 3.34Å; Y405-D427 PolarHBondContact OH-O 3.26Å; Y405-D427 VanDerWaalsContact OH-O 3.04Å
406	M	95.9	Very high	93.9	Very high	6 Å²	6	68.1 Å²	68.1	3%	0.03	37%	0.365	C	S	.	.			trans	-80.2	129.4	179.8	-54.6	-60.4	95.2	0	0	109.5	S256 L392 L410 F412 K417 P430	S256-M406 WeakPolarHBondContact CB-O 3.19Å; S256-M406 PolarHBondContact OG-O 2.92Å; L392-M406 HydrophobicContact CD1-CE 3.99Å; L392-M406 HydrophobicContact CD1-SD 3.71Å; L392-M406 HydrophobicContact CD2-CE 4.39Å; L392-M406 HydrophobicContact CD2-SD 3.85Å; L392-M406 HydrophobicContact CG-SD 4.38Å; M406-L410 HydrophobicContact CB-CD1 4.38Å; M406-L410 HydrophobicContact CE-CD1 4.17Å; M406-L410 HydrophobicContact CG-CD1 4.47Å; M406-L410 HydrophobicContact SD-CD1 3.35Å; M406-L410 WeakPolarHBondContact SD-CD1 3.43Å; M406-F412 HydrophobicContact CB-CD2 4.14Å; M406-F412 HydrophobicContact CG-CD2 4.09Å; M406-F412 HydrophobicContact CG-CE2 4.16Å; M406-F412 HydrophobicContact SD-CD2 4.12Å; M406-F412 HydrophobicContact SD-CE2 3.64Å; M406-K417 HydrophobicContact CB-CB 3.9Å; M406-K417 HydrophobicContact CB-CG 3.96Å; M406-P430 HydrophobicContact CE-CG 4.24Å
407	D	92.6	Very high	93.9	Very high	38 Å²	38	60 Å²	60	20%	0.203	33%	0.33	C	S	.	.			trans	-123	-173.5	179	69.6	14.3	0	0	0	111.2	Y355 S409 L410	Y355-D407 HydrophobicContact CE2-CB 4.05Å; Y355-D407 WeakPolarHBondContact CE2-OD2 3.29Å; Y355-D407 PolarHBondContact OH-OD2 2.86Å; D407-S409 PolarHBondContact O-N 3.31Å; D407-S409 VanDerWaalsContact O-N 3.15Å; D407-S409 WeakPolarHBondContact OD1-CA 3.3Å; D407-S409 WeakPolarHBondContact OD1-CB 3.44Å; D407-S409 PolarHBondContact OD1-N 2.92Å; D407-S409 PolarHBondContact OD1-OG 2.9Å; D407-L410 PolarHBondContact O-N 2.91Å
408	D	90.8	Very high	93.9	Very high	138 Å²	138	56.6 Å²	56.6	74%	0.738	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-6.9	-178.4	-60.3	-30.9	0	0	0	114	L410 K417	D408-L410 PolarHBondContact O-N 2.03Å; D408-K417 IonicContact OD1-NZ 3.34Å; D408-K417 PolarHBondContact OD1-NZ 2.89Å
409	S	87.7	Confident	93.9	Very high	77 Å²	77	54.1 Å²	54.1	54%	0.538	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-11.8	173.2	75.2	0	0	0	0	112.9	D407	D407-S409 PolarHBondContact O-N 3.31Å; D407-S409 VanDerWaalsContact O-N 3.15Å; D407-S409 WeakPolarHBondContact OD1-CA 3.3Å; D407-S409 WeakPolarHBondContact OD1-CB 3.44Å; D407-S409 PolarHBondContact OD1-N 2.92Å; D407-S409 PolarHBondContact OD1-OG 2.9Å
410	L	87.2	Confident	93.9	Very high	21 Å²	21	55.5 Å²	55.5	11%	0.11	30%	0.303	C	S	.	.	S	Bend	trans	-109.8	146.6	-179.6	-61.6	175.1	0	0	0	111.2	D373 M406 D407 D408 F412	D373-L410 HydrophobicContact CB-CD2 4.31Å; D373-L410 VanDerWaalsContact O-CD2 3.22Å; D373-L410 WeakPolarHBondContact O-CD2 3.37Å; M406-L410 HydrophobicContact CB-CD1 4.38Å; M406-L410 HydrophobicContact CE-CD1 4.17Å; M406-L410 HydrophobicContact CG-CD1 4.47Å; M406-L410 HydrophobicContact SD-CD1 3.35Å; M406-L410 WeakPolarHBondContact SD-CD1 3.43Å; D407-L410 PolarHBondContact O-N 2.91Å; D408-L410 PolarHBondContact O-N 2.03Å; L410-F412 HydrophobicContact CB-CD2 3.67Å; L410-F412 HydrophobicContact CB-CE2 3.87Å; L410-F412 HydrophobicContact CB-CG 4.49Å; L410-F412 HydrophobicContact CD1-CD2 4.2Å; L410-F412 HydrophobicContact CD1-CE2 3.85Å; L410-F412 HydrophobicContact CG-CE2 4.42Å; L410-F412 PolarHBondContact O-N 3.27Å
411	P	88.2	Confident	93.8	Very high	127 Å²	127	50.5 Å²	50.5	83%	0.825	28%	0.276	S	S	*	.	S	Bend	trans	-79.3	41.7	-174.5	35.8	-38.4	0	0	0	112.8
412	F	90.9	Very high	93.8	Very high	26 Å²	26	46.1 Å²	46.1	11%	0.114	26%	0.255	C	S	.	.			trans	-100.7	144.9	178.7	-60.9	-46.1	0	0	0	111.1	P375 L392 M406 L410 E416 K417 Y420	P375-F412 HydrophobicContact CG-CE1 4.08Å; P375-F412 HydrophobicContact CG-CZ 3.54Å; L392-F412 HydrophobicContact CD2-CE2 4.4Å; L392-F412 HydrophobicContact CD2-CZ 4.41Å; M406-F412 HydrophobicContact CB-CD2 4.14Å; M406-F412 HydrophobicContact CG-CD2 4.09Å; M406-F412 HydrophobicContact CG-CE2 4.16Å; M406-F412 HydrophobicContact SD-CD2 4.12Å; M406-F412 HydrophobicContact SD-CE2 3.64Å; L410-F412 HydrophobicContact CB-CD2 3.67Å; L410-F412 HydrophobicContact CB-CE2 3.87Å; L410-F412 HydrophobicContact CB-CG 4.49Å; L410-F412 HydrophobicContact CD1-CD2 4.2Å; L410-F412 HydrophobicContact CD1-CE2 3.85Å; L410-F412 HydrophobicContact CG-CE2 4.42Å; L410-F412 PolarHBondContact O-N 3.27Å; F412-E416 HydrophobicContact CB-CB 3.97Å; F412-K417 HydrophobicContact CB-CG 3.84Å; F412-K417 WeakPolarHBondContact O-CE 3.47Å; F412-Y420 HydrophobicContact CD1-CE2 4.34Å; F412-Y420 HydrophobicContact CE1-CD1 4.15Å; F412-Y420 AromaticContact CE1-CE1 3.9Å; F412-Y420 HydrophobicContact CE1-CE1 3.9Å; F412-Y420 HydrophobicContact CE1-CE2 4.36Å; F412-Y420 HydrophobicContact CE1-CG 4.5Å; F412-Y420 AromaticContact CE1-CZ 3.98Å; F412-Y420 HydrophobicContact CE2-CD1 4.38Å; F412-Y420 HydrophobicContact CE2-CG 4.46Å; F412-Y420 AromaticContact CZ-CD1 3.92Å; F412-Y420 HydrophobicContact CZ-CD1 3.92Å; F412-Y420 HydrophobicContact CZ-CE1 4.05Å; F412-Y420 HydrophobicContact CZ-CG 4.35Å
413	T	93	Very high	93.6	Very high	80 Å²	80	48.1 Å²	48.1	49%	0.491	26%	0.262	S	S	.	.			trans	-68.3	160.6	166.9	61.4	0	0	0	0	110.8	T415 E416 K417	T413-T415 VanDerWaalsContact C-N 3.3Å; T413-T415 PolarHBondContact O-N 2.83Å; T413-E416 WeakPolarHBondContact CB-OE2 3.4Å; T413-E416 WeakPolarHBondContact CG2-OE2 3.36Å; T413-E416 PolarHBondContact N-OE2 3.47Å; T413-E416 CarbonylContact O-C 3.56Å; T413-E416 WeakPolarHBondContact O-CA 2.99Å; T413-E416 WeakPolarHBondContact O-CB 3.42Å; T413-E416 PolarHBondContact O-N 3.21Å; T413-E416 WeakPolarHBondContact OG1-CB 3.23Å; T413-E416 VanDerWaalsContact OG1-CD 3.23Å; T413-E416 WeakPolarHBondContact OG1-CG 3.04Å; T413-E416 PolarHBondContact OG1-N 3.03Å; T413-E416 PolarHBondContact OG1-OE2 3.42Å; T413-K417 WeakPolarHBondContact O-CG 3.38Å; T413-K417 PolarHBondContact O-N 2.95Å
414	D	90.4	Very high	93.5	Very high	106 Å²	106	49.9 Å²	49.9	57%	0.567	28%	0.276	S	S	*	.	H	α-helix	trans	-59.6	-40.1	-178.1	-63.4	-30.4	0	0	0	112.7	E416 K417 E418	D414-E416 PolarHBondContact O-N 2.83Å; D414-K417 PolarHBondContact O-N 2.82Å; D414-K417 IonicContact OD1-NZ 3.94Å; D414-K417 PolarHBondContact OD1-NZ 3.31Å; D414-E418 WeakPolarHBondContact O-CG 3.29Å; D414-E418 PolarHBondContact O-N 2.86Å
415	T	91.5	Very high	93.3	Very high	87 Å²	87	51.5 Å²	51.5	53%	0.534	28%	0.283	S	S	.	.	H	α-helix	trans	-65.8	-26.7	174.2	-50.9	0	0	0	0	112.9	T413	T413-T415 VanDerWaalsContact C-N 3.3Å; T413-T415 PolarHBondContact O-N 2.83Å
416	E	94.1	Very high	93.3	Very high	47 Å²	47	51.3 Å²	51.3	22%	0.22	28%	0.282	C	S	.	.	H	α-helix	trans	-77.6	-44.2	173.6	-74.2	171.1	138.9	0	0	111.3	K394 F412 T413 D414 E418 K419 Y420	K394-E416 IonicContact NZ-OE1 2.98Å; F412-E416 HydrophobicContact CB-CB 3.97Å; T413-E416 WeakPolarHBondContact CB-OE2 3.4Å; T413-E416 WeakPolarHBondContact CG2-OE2 3.36Å; T413-E416 PolarHBondContact N-OE2 3.47Å; T413-E416 CarbonylContact O-C 3.56Å; T413-E416 WeakPolarHBondContact O-CA 2.99Å; T413-E416 WeakPolarHBondContact O-CB 3.42Å; T413-E416 PolarHBondContact O-N 3.21Å; T413-E416 WeakPolarHBondContact OG1-CB 3.23Å; T413-E416 VanDerWaalsContact OG1-CD 3.23Å; T413-E416 WeakPolarHBondContact OG1-CG 3.04Å; T413-E416 PolarHBondContact OG1-N 3.03Å; T413-E416 PolarHBondContact OG1-OE2 3.42Å; D414-E416 PolarHBondContact O-N 2.83Å; E416-E418 PolarHBondContact O-N 2.87Å; E416-E418 VanDerWaalsContact O-N 3.08Å; E416-K419 CarbonylContact O-C 3.59Å; E416-K419 PolarHBondContact O-N 2.97Å; E416-Y420 HydrophobicContact CB-CD2 3.87Å; E416-Y420 HydrophobicContact CB-CE2 3.85Å; E416-Y420 HydrophobicContact CG-CD2 4.48Å; E416-Y420 HydrophobicContact CG-CE2 4.02Å; E416-Y420 VanDerWaalsContact O-CD2 3.28Å; E416-Y420 WeakPolarHBondContact O-CD2 3.3Å; E416-Y420 PolarHBondContact O-N 3.36Å
417	K	95	Very high	93.3	Very high	20 Å²	20	52.4 Å²	52.4	9%	0.087	29%	0.288	C	S	.	.	H	α-helix	trans	-52.4	-36.6	177.6	-67.3	173.9	-166.1	152.7	0	112.3	M406 D408 F412 T413 D414 K419	M406-K417 HydrophobicContact CB-CB 3.9Å; M406-K417 HydrophobicContact CB-CG 3.96Å; D408-K417 IonicContact OD1-NZ 3.34Å; D408-K417 PolarHBondContact OD1-NZ 2.89Å; F412-K417 HydrophobicContact CB-CG 3.84Å; F412-K417 WeakPolarHBondContact O-CE 3.47Å; T413-K417 WeakPolarHBondContact O-CG 3.38Å; T413-K417 PolarHBondContact O-N 2.95Å; D414-K417 PolarHBondContact O-N 2.82Å; D414-K417 IonicContact OD1-NZ 3.94Å; D414-K417 PolarHBondContact OD1-NZ 3.31Å; K417-K419 VanDerWaalsContact C-N 3.26Å; K417-K419 PolarHBondContact O-N 3.47Å
418	E	96.2	Very high	93.5	Very high	45 Å²	45	53.3 Å²	53.3	21%	0.21	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.3	178.8	-69.2	175.7	173.2	0	0	114.7	K257 Q398 L399 D414 E416	K257-E418 IonicContact NZ-OE1 3.63Å; K257-E418 PolarHBondContact NZ-OE1 3.45Å; Q398-E418 HydrophobicContact CG-CB 4.17Å; L399-E418 PolarHBondContact N-O 3.13Å; D414-E418 WeakPolarHBondContact O-CG 3.29Å; D414-E418 PolarHBondContact O-N 2.86Å; E416-E418 PolarHBondContact O-N 2.87Å; E416-E418 VanDerWaalsContact O-N 3.08Å
419	K	96.8	Very high	93.9	Very high	56 Å²	56	46.8 Å²	46.8	24%	0.243	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-14.9	-175.8	-65.8	-174.8	-178.9	-169.7	0	113.6	K394 H395 E416 K417	K394-K419 HydrophobicContact CG-CB 4.02Å; H395-K419 WeakPolarHBondContact CB-O 2.95Å; H395-K419 PolarHBondContact CD2-O 3.1Å; H395-K419 VanDerWaalsContact CD2-O 3.28Å; H395-K419 PolarHBondContact N-O 3.14Å; E416-K419 CarbonylContact O-C 3.59Å; E416-K419 PolarHBondContact O-N 2.97Å; K417-K419 VanDerWaalsContact C-N 3.26Å; K417-K419 PolarHBondContact O-N 3.47Å
420	Y	96.5	Very high	94.3	Very high	42 Å²	42	43.1 Å²	43.1	17%	0.165	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	132.6	-178.9	-91.8	-100.1	0	0	0	111.4	L392 F393 K394 F412 E416	L392-Y420 HydrophobicContact CD1-CD1 4.14Å; L392-Y420 HydrophobicContact CG-CD1 4.23Å; F393-Y420 WeakPolarHBondContact O-CA 3.38Å; K394-Y420 HydrophobicContact CB-CD2 3.98Å; K394-Y420 HydrophobicContact CB-CE1 4.29Å; K394-Y420 HydrophobicContact CB-CE2 3.64Å; K394-Y420 HydrophobicContact CB-CG 4.5Å; K394-Y420 HydrophobicContact CD-CE2 3.96Å; K394-Y420 HydrophobicContact CG-CD2 4.1Å; K394-Y420 HydrophobicContact CG-CE2 3.87Å; F412-Y420 HydrophobicContact CD1-CE2 4.34Å; F412-Y420 HydrophobicContact CE1-CD1 4.15Å; F412-Y420 AromaticContact CE1-CE1 3.9Å; F412-Y420 HydrophobicContact CE1-CE1 3.9Å; F412-Y420 HydrophobicContact CE1-CE2 4.36Å; F412-Y420 HydrophobicContact CE1-CG 4.5Å; F412-Y420 AromaticContact CE1-CZ 3.98Å; F412-Y420 HydrophobicContact CE2-CD1 4.38Å; F412-Y420 HydrophobicContact CE2-CG 4.46Å; F412-Y420 AromaticContact CZ-CD1 3.92Å; F412-Y420 HydrophobicContact CZ-CD1 3.92Å; F412-Y420 HydrophobicContact CZ-CE1 4.05Å; F412-Y420 HydrophobicContact CZ-CG 4.35Å; E416-Y420 HydrophobicContact CB-CD2 3.87Å; E416-Y420 HydrophobicContact CB-CE2 3.85Å; E416-Y420 HydrophobicContact CG-CD2 4.48Å; E416-Y420 HydrophobicContact CG-CE2 4.02Å; E416-Y420 VanDerWaalsContact O-CD2 3.28Å; E416-Y420 WeakPolarHBondContact O-CD2 3.3Å; E416-Y420 PolarHBondContact O-N 3.36Å
421	G	96.6	Very high	94.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	173.9	176.6	0	0	0	0	0	111.3	F393 H395	F393-G421 PolarHBondContact N-O 2.81Å; F393-G421 VanDerWaalsContact N-O 3.14Å; F393-G421 PolarHBondContact O-N 3.41Å; F393-G421 VanDerWaalsContact O-N 3.1Å; F393-G421 VanDerWaalsContact O-O 3.12Å; H395-G421 PolarHBondContact NE2-O 2.82Å
422	G	96.1	Very high	95.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.			trans	-80.3	-161.1	171.6	0	0	0	0	0	112.7	V391 H395 Y428	V391-G422 WeakPolarHBondContact O-CA 2.97Å; H395-G422 PolarHBondContact CE1-O 2.84Å; H395-G422 VanDerWaalsContact CE1-O 3.22Å; H395-G422 PolarHBondContact NE2-O 2.78Å; G422-Y428 PolarHBondContact N-O 3.5Å
423	F	95.2	Very high	95.2	Very high	60 Å²	60	35 Å²	35	26%	0.263	18%	0.18	S	C	.	.			trans	-71.4	148.4	177.5	-70	-59.5	0	0	0	112.6	V391 F393 F425 F426 Y428 L433	V391-F423 HydrophobicContact CB-CE2 4.4Å; V391-F423 HydrophobicContact CG1-CD2 3.68Å; V391-F423 HydrophobicContact CG1-CE2 3.49Å; V391-F423 VanDerWaalsContact CG1-CE2 3.49Å; V391-F423 HydrophobicContact CG1-CG 4.3Å; V391-F423 HydrophobicContact CG1-CZ 3.94Å; V391-F423 HydrophobicContact CG2-CE2 4.25Å; F393-F423 AromaticContact CE1-CD1 3.83Å; F393-F423 HydrophobicContact CE1-CD1 3.83Å; F393-F423 AromaticContact CE1-CE1 3.73Å; F393-F423 HydrophobicContact CE1-CE1 3.73Å; F393-F423 HydrophobicContact CE1-CG 4.38Å; F393-F423 HydrophobicContact CE1-CZ 4.22Å; F393-F423 AromaticContact CZ-CD1 3.73Å; F393-F423 HydrophobicContact CZ-CD1 3.73Å; F393-F423 AromaticContact CZ-CE1 3.83Å; F393-F423 HydrophobicContact CZ-CE1 3.83Å; F423-F425 HydrophobicContact CB-CD1 3.65Å; F423-F425 HydrophobicContact CB-CD2 4.48Å; F423-F425 HydrophobicContact CB-CE1 3.31Å; F423-F425 HydrophobicContact CB-CE2 4.25Å; F423-F425 HydrophobicContact CB-CG 4.23Å; F423-F425 HydrophobicContact CB-CZ 3.65Å; F423-F425 HydrophobicContact CD1-CE1 4.1Å; F423-F425 AromaticContact CD2-CE1 3.81Å; F423-F425 HydrophobicContact CD2-CE1 3.81Å; F423-F425 HydrophobicContact CD2-CE2 4.38Å; F423-F425 AromaticContact CD2-CZ 3.49Å; F423-F425 HydrophobicContact CD2-CZ 3.49Å; F423-F425 VanDerWaalsContact CD2-CZ 3.49Å; F423-F425 HydrophobicContact CE2-CZ 4.28Å; F423-F425 HydrophobicContact CG-CD1 4.31Å; F423-F425 AromaticContact CG-CE1 3.49Å; F423-F425 HydrophobicContact CG-CE1 3.49Å; F423-F425 VanDerWaalsContact CG-CE1 3.49Å; F423-F425 AromaticContact CG-CZ 3.69Å; F423-F425 HydrophobicContact CG-CZ 3.69Å; F423-F425 PolarHBondContact O-N 2.83Å; F423-F426 HydrophobicContact CB-CD2 4.42Å; F423-F426 PolarHBondContact O-N 2.82Å; F423-Y428 WeakPolarHBondContact O-CA 3.14Å; F423-Y428 PolarHBondContact O-N 3.38Å; F423-L433 HydrophobicContact CD2-CD1 4.09Å; F423-L433 HydrophobicContact CE2-CD1 4.14Å
424	P	95.1	Very high	95.2	Very high	66 Å²	66	31.4 Å²	31.4	43%	0.429	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-55.7	-34.8	178	-26.8	34.5	0	0	0	114.4	F426 D427 Y428	P424-F426 PolarHBondContact O-N 3.4Å; P424-D427 WeakPolarHBondContact O-CA 3.18Å; P424-D427 PolarHBondContact O-N 3.37Å; P424-Y428 HydrophobicContact CB-CE1 4.16Å; P424-Y428 HydrophobicContact CB-CE2 4.18Å; P424-Y428 HydrophobicContact CG-CE1 3.8Å
425	F	92.7	Very high	94.8	Very high	33 Å²	33	28.6 Å²	28.6	15%	0.145	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-73.7	-10.9	-178.9	58.9	-98	0	0	0	114.1	H297 Y308 F423	H297-F425 HydrophobicContact CB-CD2 3.95Å; H297-F425 WeakPolarHBondContact CB-O 3.48Å; H297-F425 AromaticContact CD2-CD2 3.6Å; H297-F425 AromaticContact CG-CD2 3.74Å; Y308-F425 HydrophobicContact CD2-CB 3.93Å; Y308-F425 AromaticContact CD2-CD1 3.76Å; Y308-F425 HydrophobicContact CD2-CD1 3.76Å; Y308-F425 AromaticContact CD2-CD2 3.74Å; Y308-F425 HydrophobicContact CD2-CD2 3.74Å; Y308-F425 HydrophobicContact CD2-CE1 4.14Å; Y308-F425 HydrophobicContact CD2-CE2 4.07Å; Y308-F425 AromaticContact CD2-CG 3.56Å; Y308-F425 HydrophobicContact CD2-CG 3.56Å; Y308-F425 HydrophobicContact CD2-CZ 4.29Å; Y308-F425 HydrophobicContact CE2-CB 3.47Å; Y308-F425 VanDerWaalsContact CE2-CB 3.47Å; Y308-F425 AromaticContact CE2-CD1 3.49Å; Y308-F425 HydrophobicContact CE2-CD1 3.49Å; Y308-F425 VanDerWaalsContact CE2-CD1 3.49Å; Y308-F425 HydrophobicContact CE2-CD2 4.13Å; Y308-F425 HydrophobicContact CE2-CE1 4.2Å; Y308-F425 AromaticContact CE2-CG 3.45Å; Y308-F425 HydrophobicContact CE2-CG 3.45Å; Y308-F425 VanDerWaalsContact CE2-CG 3.45Å; F423-F425 HydrophobicContact CB-CD1 3.65Å; F423-F425 HydrophobicContact CB-CD2 4.48Å; F423-F425 HydrophobicContact CB-CE1 3.31Å; F423-F425 HydrophobicContact CB-CE2 4.25Å; F423-F425 HydrophobicContact CB-CG 4.23Å; F423-F425 HydrophobicContact CB-CZ 3.65Å; F423-F425 HydrophobicContact CD1-CE1 4.1Å; F423-F425 AromaticContact CD2-CE1 3.81Å; F423-F425 HydrophobicContact CD2-CE1 3.81Å; F423-F425 HydrophobicContact CD2-CE2 4.38Å; F423-F425 AromaticContact CD2-CZ 3.49Å; F423-F425 HydrophobicContact CD2-CZ 3.49Å; F423-F425 VanDerWaalsContact CD2-CZ 3.49Å; F423-F425 HydrophobicContact CE2-CZ 4.28Å; F423-F425 HydrophobicContact CG-CD1 4.31Å; F423-F425 AromaticContact CG-CE1 3.49Å; F423-F425 HydrophobicContact CG-CE1 3.49Å; F423-F425 VanDerWaalsContact CG-CE1 3.49Å; F423-F425 AromaticContact CG-CZ 3.69Å; F423-F425 HydrophobicContact CG-CZ 3.69Å; F423-F425 PolarHBondContact O-N 2.83Å
426	F	96.3	Very high	93.8	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-98.4	22.5	166	-75.9	-73.5	0	0	0	111.9	H297 L310 W341 F423 P424 Y428 C429 V431 L433	H297-F426 HydrophobicContact CB-CD1 3.79Å; H297-F426 HydrophobicContact CB-CE1 3.62Å; H297-F426 HydrophobicContact CB-CG 4.31Å; H297-F426 HydrophobicContact CB-CZ 4Å; H297-F426 AromaticContact ND1-CZ 3.92Å; H297-F426 VanDerWaalsContact O-CE1 3.26Å; H297-F426 WeakPolarHBondContact O-CE1 3.43Å; L310-F426 HydrophobicContact CD1-CZ 4.25Å; W341-F426 HydrophobicContact CH2-CD1 4.39Å; W341-F426 AromaticContact CH2-CE1 3.65Å; W341-F426 HydrophobicContact CH2-CE1 3.65Å; W341-F426 HydrophobicContact CH2-CZ 4.3Å; W341-F426 HydrophobicContact CZ2-CD1 4.4Å; W341-F426 AromaticContact CZ2-CE1 3.84Å; W341-F426 HydrophobicContact CZ2-CE1 3.84Å; F423-F426 HydrophobicContact CB-CD2 4.42Å; F423-F426 PolarHBondContact O-N 2.82Å; P424-F426 PolarHBondContact O-N 3.4Å; F426-Y428 PolarHBondContact O-N 2.89Å; F426-C429 HydrophobicContact CB-CB 4.46Å; F426-C429 WeakPolarHBondContact O-CB 3.29Å; F426-C429 PolarHBondContact O-N 2.85Å; F426-C429 PolarHBondContact O-SG 3.08Å; F426-C429 VanDerWaalsContact O-SG 3.33Å; F426-V431 HydrophobicContact CB-CG2 4.32Å; F426-V431 HydrophobicContact CD1-CG2 3.9Å; F426-V431 HydrophobicContact CD2-CG2 4.46Å; F426-V431 HydrophobicContact CE1-CG1 4.48Å; F426-V431 HydrophobicContact CE1-CG2 4.28Å; F426-V431 HydrophobicContact CG-CG2 4Å; F426-V431 HydrophobicContact CZ-CG1 4.42Å; F426-L433 HydrophobicContact CD2-CD1 4.46Å; F426-L433 HydrophobicContact CE2-CD1 3.7Å; F426-L433 HydrophobicContact CE2-CD2 3.88Å; F426-L433 HydrophobicContact CE2-CG 4.34Å; F426-L433 HydrophobicContact CZ-CD1 4.44Å; F426-L433 HydrophobicContact CZ-CD2 3.79Å
427	D	96.4	Very high	92.6	Very high	30 Å²	30	26.8 Å²	26.8	16%	0.16	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	33.9	-169.8	-64.9	-45.5	0	0	0	112.6	K264 R298 Y405 P424 C429	K264-D427 IonicContact NZ-OD1 2.58Å; K264-D427 PolarHBondContact NZ-OD1 3.14Å; K264-D427 IonicContact NZ-OD2 3.02Å; K264-D427 PolarHBondContact NZ-OD2 3.23Å; R298-D427 WeakPolarHBondContact CD-OD2 3.46Å; R298-D427 IonicContact NE-OD2 3.28Å; R298-D427 PolarHBondContact NE-OD2 2.87Å; Y405-D427 VanDerWaalsContact CE2-O 3.26Å; Y405-D427 WeakPolarHBondContact CE2-O 3.34Å; Y405-D427 PolarHBondContact OH-O 3.26Å; Y405-D427 VanDerWaalsContact OH-O 3.04Å; P424-D427 WeakPolarHBondContact O-CA 3.18Å; P424-D427 PolarHBondContact O-N 3.37Å; D427-C429 PolarHBondContact O-N 2.9Å
428	Y	97.5	Very high	90.9	Very high	57 Å²	57	33.1 Å²	33.1	22%	0.224	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	13.1	-174.8	-54.4	-94.7	0	0	0	114.7	H395 L399 N403 G422 F423 P424 F426	H395-Y428 AromaticContact CE1-CD1 3.71Å; H395-Y428 AromaticContact CE1-CE1 3.76Å; H395-Y428 AromaticContact NE2-CD1 3.87Å; L399-Y428 HydrophobicContact CD1-CD1 4.05Å; L399-Y428 HydrophobicContact CD1-CG 4.43Å; L399-Y428 HydrophobicContact CD2-CD1 3.56Å; L399-Y428 HydrophobicContact CD2-CE1 3.46Å; L399-Y428 VanDerWaalsContact CD2-CE1 3.46Å; L399-Y428 HydrophobicContact CD2-CG 4.42Å; L399-Y428 HydrophobicContact CG-CD1 4.42Å; N403-Y428 HydrophobicContact CB-CD2 3.66Å; N403-Y428 HydrophobicContact CB-CE2 4.35Å; N403-Y428 HydrophobicContact CB-CG 4.06Å; N403-Y428 VanDerWaalsContact ND2-CD2 3.29Å; N403-Y428 WeakPolarHBondContact ND2-CD2 3.38Å; N403-Y428 VanDerWaalsContact ND2-CE2 3.32Å; N403-Y428 WeakPolarHBondContact ND2-CE2 3.48Å; G422-Y428 PolarHBondContact N-O 3.5Å; F423-Y428 WeakPolarHBondContact O-CA 3.14Å; F423-Y428 PolarHBondContact O-N 3.38Å; P424-Y428 HydrophobicContact CB-CE1 4.16Å; P424-Y428 HydrophobicContact CB-CE2 4.18Å; P424-Y428 HydrophobicContact CG-CE1 3.8Å; F426-Y428 PolarHBondContact O-N 2.89Å
429	C	98.1	Very high	89.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.185	C	C	.	.			trans	-68.3	133.1	174.1	-67.5	0	0	0	0	111.2	C354 Y371 F426 D427 V431	C354-C429 HydrophobicContact CB-CB 3.57Å; C354-C429 WeakPolarHBondContact CB-SG 3.5Å; C354-C429 WeakPolarHBondContact SG-CA 3.29Å; C354-C429 WeakPolarHBondContact SG-CB 3.24Å; C354-C429 CovalentContact SG-SG 2.02Å; C354-C429 PolarHBondContact SG-SG 2.78Å; Y371-C429 HydrophobicContact CD1-CB 3.85Å; Y371-C429 HydrophobicContact CE1-CB 3.5Å; F426-C429 HydrophobicContact CB-CB 4.46Å; F426-C429 WeakPolarHBondContact O-CB 3.29Å; F426-C429 PolarHBondContact O-N 2.85Å; F426-C429 PolarHBondContact O-SG 3.08Å; F426-C429 VanDerWaalsContact O-SG 3.33Å; D427-C429 PolarHBondContact O-N 2.9Å; C429-V431 PolarHBondContact O-N 3.15Å
430	P	97.1	Very high	87.6	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.006	20%	0.203	C	C	.	.			trans	-70.6	120.6	173.1	29.2	-34.9	0	0	0	110.2	I358 Y371 C372 V391 L392 M406	I358-P430 HydrophobicContact CD1-CG 4.4Å; Y371-P430 WeakPolarHBondContact CA-O 3.27Å; Y371-P430 WeakPolarHBondContact CB-O 3.45Å; Y371-P430 WeakPolarHBondContact CD1-O 3.27Å; C372-P430 PolarHBondContact N-O 2.83Å; C372-P430 VanDerWaalsContact O-CB 3.23Å; C372-P430 WeakPolarHBondContact O-CB 3.38Å; C372-P430 WeakPolarHBondContact O-CG 3.48Å; V391-P430 WeakPolarHBondContact O-CA 3.46Å; L392-P430 HydrophobicContact CB-CB 4.01Å; L392-P430 HydrophobicContact CD1-CB 4.21Å; L392-P430 HydrophobicContact CD2-CB 4.39Å; L392-P430 HydrophobicContact CG-CB 4.43Å; M406-P430 HydrophobicContact CE-CG 4.24Å
431	V	96.8	Very high	86.4	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.3	-174.3	171.9	0	0	0	0	110.1	W341 Y371 V391 F426 C429 L433	W341-V431 HydrophobicContact CH2-CG1 3.47Å; W341-V431 VanDerWaalsContact CH2-CG1 3.47Å; W341-V431 HydrophobicContact CH2-CG2 4.16Å; W341-V431 HydrophobicContact CZ3-CG1 3.81Å; Y371-V431 HydrophobicContact CD1-CG2 3.7Å; Y371-V431 HydrophobicContact CE1-CG2 3.93Å; V391-V431 PolarHBondContact N-O 2.93Å; F426-V431 HydrophobicContact CB-CG2 4.32Å; F426-V431 HydrophobicContact CD1-CG2 3.9Å; F426-V431 HydrophobicContact CD2-CG2 4.46Å; F426-V431 HydrophobicContact CE1-CG1 4.48Å; F426-V431 HydrophobicContact CE1-CG2 4.28Å; F426-V431 HydrophobicContact CG-CG2 4Å; F426-V431 HydrophobicContact CZ-CG1 4.42Å; C429-V431 PolarHBondContact O-N 3.15Å; V431-L433 HydrophobicContact CB-CD2 4.34Å; V431-L433 HydrophobicContact CB-CG 4.27Å; V431-L433 HydrophobicContact CG1-CD2 3.43Å; V431-L433 VanDerWaalsContact CG1-CD2 3.43Å; V431-L433 HydrophobicContact CG1-CG 3.79Å; V431-L433 PolarHBondContact O-N 2.91Å
432	L	95.6	Very high	85.5	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	103.1	169.7	-168.4	78.4	0	0	0	109.6	Q369 P370 K379 A381 Y383 G388 C390	Q369-L432 HydrophobicContact CG-CD2 4.44Å; Q369-L432 VanDerWaalsContact OE1-CD2 3.31Å; P370-L432 PolarHBondContact O-N 3.13Å; K379-L432 HydrophobicContact CB-CD1 4.06Å; K379-L432 HydrophobicContact CB-CD2 3.66Å; A381-L432 HydrophobicContact CB-CD2 4.36Å; Y383-L432 WeakPolarHBondContact CE1-O 3.46Å; Y383-L432 PolarHBondContact OH-O 3.01Å; Y383-L432 VanDerWaalsContact OH-O 3.1Å; G388-L432 WeakPolarHBondContact O-CD1 3.41Å; C390-L432 HydrophobicContact CB-CD1 4.47Å
433	L	93.1	Very high	85	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133.7	-176.4	-67.9	-177.3	0	0	0	112.2	L310 Y383 G388 T389 V391 F423 F426 V431 H435	L310-L433 HydrophobicContact CD1-CD2 4.2Å; Y383-L433 WeakPolarHBondContact OH-CA 3.14Å; G388-L433 CarbonylContact C-O 3.55Å; G388-L433 VanDerWaalsContact CA-O 3.3Å; G388-L433 WeakPolarHBondContact CA-O 3.23Å; T389-L433 PolarHBondContact N-O 2.86Å; T389-L433 PolarHBondContact O-N 2.98Å; V391-L433 HydrophobicContact CB-CD1 4.46Å; V391-L433 HydrophobicContact CG2-CB 3.94Å; V391-L433 HydrophobicContact CG2-CD1 3.86Å; V391-L433 HydrophobicContact CG2-CG 4.06Å; F423-L433 HydrophobicContact CD2-CD1 4.09Å; F423-L433 HydrophobicContact CE2-CD1 4.14Å; F426-L433 HydrophobicContact CD2-CD1 4.46Å; F426-L433 HydrophobicContact CE2-CD1 3.7Å; F426-L433 HydrophobicContact CE2-CD2 3.88Å; F426-L433 HydrophobicContact CE2-CG 4.34Å; F426-L433 HydrophobicContact CZ-CD1 4.44Å; F426-L433 HydrophobicContact CZ-CD2 3.79Å; V431-L433 HydrophobicContact CB-CD2 4.34Å; V431-L433 HydrophobicContact CB-CG 4.27Å; V431-L433 HydrophobicContact CG1-CD2 3.43Å; V431-L433 VanDerWaalsContact CG1-CD2 3.43Å; V431-L433 HydrophobicContact CG1-CG 3.79Å; V431-L433 PolarHBondContact O-N 2.91Å; L433-H435 WeakPolarHBondContact CB-NE2 3.3Å; L433-H435 PolarHBondContact O-N 2.89Å
434	V	91.5	Very high	84.7	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	114.6	169.7	-173.2	0	0	0	0	107.2	A381 Y383 A443 L444	A381-V434 HydrophobicContact CB-CG2 3.49Å; A381-V434 VanDerWaalsContact CB-CG2 3.49Å; Y383-V434 PolarHBondContact OH-N 2.89Å; V434-A443 HydrophobicContact CG1-CB 3.7Å; V434-L444 HydrophobicContact CG1-CD2 3.96Å; V434-L444 HydrophobicContact CG1-CG 4.32Å
435	H	82	Confident	84.5	Confident	47 Å²	47	36.6 Å²	36.6	22%	0.218	19%	0.191	C	C	.	.			trans	-127	145	178.6	-65.3	-58.7	0	0	0	109.6	F6 E311 V391 L433 A443	F6-H435 HydrophobicContact CZ-CB 4.43Å; E311-H435 VanDerWaalsContact OE2-CA 3.25Å; E311-H435 WeakPolarHBondContact OE2-CA 3.12Å; E311-H435 PolarHBondContact OE2-N 3.08Å; V391-H435 WeakPolarHBondContact CG2-NE2 3.19Å; L433-H435 WeakPolarHBondContact CB-NE2 3.3Å; L433-H435 PolarHBondContact O-N 2.89Å; H435-A443 WeakPolarHBondContact O-CB 3.48Å
436	P	71.9	Confident	84.2	Confident	31 Å²	31	40.1 Å²	40.1	20%	0.201	21%	0.208	C	C	.	.			trans	-61.9	146	173.1	14.6	-17.7	0	0	0	110.6	F6 E311 D441	F6-P436 HydrophobicContact CE2-CB 4.47Å; F6-P436 HydrophobicContact CE2-CG 3.61Å; F6-P436 VanDerWaalsContact CZ-CD 3.46Å; F6-P436 HydrophobicContact CZ-CG 3.6Å; E311-P436 WeakPolarHBondContact OE2-CD 3.41Å; P436-D441 CarbonylContact C-O 3.48Å; P436-D441 WeakPolarHBondContact CA-O 3.44Å; P436-D441 WeakPolarHBondContact CB-O 3.49Å
437	Y	68.5	Low	83.3	Confident	66 Å²	66	43 Å²	43	26%	0.259	23%	0.225	S	C	.	.			trans	-62.8	163.8	174.4	-63.3	-68.3	0	0	0	111.7	I387 E439 G440 D441 T442 A443 R464	I387-Y437 VanDerWaalsContact CD1-OH 3.32Å; I387-Y437 WeakPolarHBondContact CD1-OH 3.4Å; Y437-E439 PolarHBondContact O-N 2.77Å; Y437-G440 PolarHBondContact O-N 2.86Å; Y437-D441 HydrophobicContact CD2-CB 4.13Å; Y437-D441 WeakPolarHBondContact CD2-O 3.33Å; Y437-D441 PolarHBondContact N-O 2.92Å; Y437-T442 WeakPolarHBondContact CE2-O 3.42Å; Y437-A443 HydrophobicContact CE2-CB 4.05Å; Y437-R464 PolarHBondContact OH-NH2 3.45Å
438	E	59.4	Low	82	Confident	152 Å²	152	48.9 Å²	48.9	71%	0.71	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.3	-176.7	-64.8	-162.4	158.6	0	0	114.4	G440	E438-G440 VanDerWaalsContact C-N 3.28Å
439	E	60.2	Low	80.4	Confident	173 Å²	173	47.4 Å²	47.4	81%	0.808	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-0.8	177.2	-61.9	-171.3	178.2	0	0	113.2	Y437 D441	Y437-E439 PolarHBondContact O-N 2.77Å; E439-D441 VanDerWaalsContact C-N 3.3Å
440	G	63	Low	78.4	Confident	61 Å²	61	54 Å²	54	63%	0.629	28%	0.281	S	S	*	.	S	Bend	trans	88	-3.8	-174.4	0	0	0	0	0	113.7	Y437 E438	Y437-G440 PolarHBondContact O-N 2.86Å; E438-G440 VanDerWaalsContact C-N 3.28Å
441	D	70.9	Confident	76.3	Confident	63 Å²	63	56.7 Å²	56.7	34%	0.337	30%	0.295	S	S	.	.			trans	-68.1	138	177	-76.8	-21.7	0	0	0	111.5	P436 Y437 E439 I449	P436-D441 CarbonylContact C-O 3.48Å; P436-D441 WeakPolarHBondContact CA-O 3.44Å; P436-D441 WeakPolarHBondContact CB-O 3.49Å; Y437-D441 HydrophobicContact CD2-CB 4.13Å; Y437-D441 WeakPolarHBondContact CD2-O 3.33Å; Y437-D441 PolarHBondContact N-O 2.92Å; E439-D441 VanDerWaalsContact C-N 3.3Å; D441-I449 HydrophobicContact CB-CD1 3.98Å
442	T	78.5	Confident	74.2	Confident	18 Å²	18	64.6 Å²	64.6	11%	0.11	33%	0.329	C	S	.	.			trans	-68.7	144.7	-180	-177.7	0	0	0	0	113.3	E311 Y437 L444 T447 I449 R464	E311-T442 WeakPolarHBondContact OE1-CA 3.44Å; E311-T442 WeakPolarHBondContact OE1-CB 3.39Å; E311-T442 PolarHBondContact OE1-OG1 3.4Å; Y437-T442 WeakPolarHBondContact CE2-O 3.42Å; T442-L444 VanDerWaalsContact C-N 3.32Å; T442-L444 WeakPolarHBondContact OG1-CB 3.31Å; T442-L444 PolarHBondContact OG1-N 3.22Å; T442-L444 VanDerWaalsContact OG1-N 3.07Å; T442-T447 HydrophobicContact CG2-CG2 3.67Å; T442-I449 HydrophobicContact CG2-CD1 4.23Å; T442-I449 HydrophobicContact CG2-CG1 4.35Å; T442-R464 PolarHBondContact O-NE 3.37Å
443	A	85	Confident	71.9	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.008	36%	0.36	C	S	.	.	S	Bend	trans	-88.6	1.5	169.4	0	0	0	0	0	113.2	E311 G386 I387 V434 H435 Y437	E311-A443 PolarHBondContact OE1-N 3.36Å; G386-A443 CarbonylContact C-O 3.57Å; G386-A443 WeakPolarHBondContact CA-O 3.49Å; I387-A443 HydrophobicContact CB-CB 4.44Å; I387-A443 PolarHBondContact N-O 3.42Å; I387-A443 WeakPolarHBondContact O-CB 3.42Å; V434-A443 HydrophobicContact CG1-CB 3.7Å; H435-A443 WeakPolarHBondContact O-CB 3.48Å; Y437-A443 HydrophobicContact CE2-CB 4.05Å
444	L	89.2	Confident	69.6	Low	26 Å²	26	76.9 Å²	76.9	14%	0.136	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-76.4	136.6	172.5	-62.9	171.8	0	0	0	110.9	E311 N385 V434 T442 R464	E311-L444 HydrophobicContact CG-CD1 3.93Å; E311-L444 HydrophobicContact CG-CG 4.07Å; N385-L444 WeakPolarHBondContact O-CA 3.28Å; V434-L444 HydrophobicContact CG1-CD2 3.96Å; V434-L444 HydrophobicContact CG1-CG 4.32Å; T442-L444 VanDerWaalsContact C-N 3.32Å; T442-L444 WeakPolarHBondContact OG1-CB 3.31Å; T442-L444 PolarHBondContact OG1-N 3.22Å; T442-L444 VanDerWaalsContact OG1-N 3.07Å; L444-R464 WeakPolarHBondContact O-CD 3.22Å
445	C	90	Very high	67.7	Low	0 Å²	0	78.4 Å²	78.4	0%	0	41%	0.411	C	S	.	.	S	Bend	trans	-76.4	-25.8	-178.9	-62.4	0	0	0	0	112.9	N385 T447 R464 G465 S468 C470 C493	N385-C445 PolarHBondContact O-N 3.24Å; C445-T447 VanDerWaalsContact C-N 3.34Å; C445-T447 PolarHBondContact O-N 2.84Å; C445-R464 CarbonylContact O-C 3.52Å; C445-R464 VanDerWaalsContact O-CA 3.27Å; C445-R464 WeakPolarHBondContact O-CA 3.35Å; C445-G465 PolarHBondContact O-N 3.3Å; C445-S468 VanDerWaalsContact O-CB 3.32Å; C445-S468 WeakPolarHBondContact O-CB 3.3Å; C445-C470 VanDerWaalsContact SG-CA 3.58Å; C445-C470 PolarHBondContact SG-N 3.32Å; C445-C470 VanDerWaalsContact SG-N 3.38Å; C445-C493 WeakPolarHBondContact CA-SG 3.18Å; C445-C493 HydrophobicContact CB-CB 3.51Å; C445-C493 WeakPolarHBondContact CB-SG 3.31Å; C445-C493 WeakPolarHBondContact SG-CB 3.31Å; C445-C493 CovalentContact SG-SG 2.03Å; C445-C493 PolarHBondContact SG-SG 3.44Å
446	E	86.2	Confident	66.1	Low	108 Å²	108	80.7 Å²	80.7	51%	0.505	43%	0.43	S	S	.	.	S	Bend	trans	-79.4	-18.1	-174.5	-62.2	-179.7	-175.4	0	0	113.8	N385 K448 G465	N385-E446 HydrophobicContact CB-CG 4.29Å; N385-E446 WeakPolarHBondContact ND2-CG 3.3Å; N385-E446 PolarHBondContact ND2-OE1 3.33Å; E446-K448 PolarHBondContact O-N 3.31Å; E446-G465 VanDerWaalsContact CA-O 3.29Å; E446-G465 WeakPolarHBondContact CA-O 3.46Å; E446-G465 CarbonylContact O-C 3.49Å; E446-G465 WeakPolarHBondContact O-CA 3.38Å
447	T	77.4	Confident	65.1	Low	62 Å²	62	80.9 Å²	80.9	38%	0.38	43%	0.429	S	S	.	.	S	Bend	trans	-82.6	121	-176.7	-49.1	0	0	0	0	109.9	T442 C445 I449 R464	T442-T447 HydrophobicContact CG2-CG2 3.67Å; C445-T447 VanDerWaalsContact C-N 3.34Å; C445-T447 PolarHBondContact O-N 2.84Å; T447-I449 PolarHBondContact O-N 2.75Å; T447-R464 WeakPolarHBondContact O-CB 2.98Å
448	K	69.2	Low	64.5	Low	153 Å²	153	81 Å²	81	67%	0.665	43%	0.434	S	S	*	.			trans	-64.9	123.1	178.2	-170.6	-178.4	177.1	-167	0	110.6	E446	E446-K448 PolarHBondContact O-N 3.31Å
449	I	65.3	Low	64.2	Low	26 Å²	26	76.4 Å²	76.4	13%	0.133	42%	0.422	C	S	.	.			trans	-105.4	132.2	167.6	-54.9	-171.9	0	0	0	108	D441 T442 T447 L451 R464	D441-I449 HydrophobicContact CB-CD1 3.98Å; T442-I449 HydrophobicContact CG2-CD1 4.23Å; T442-I449 HydrophobicContact CG2-CG1 4.35Å; T447-I449 PolarHBondContact O-N 2.75Å; I449-L451 HydrophobicContact CB-CD2 4.05Å; I449-L451 HydrophobicContact CB-CG 4.4Å; I449-L451 HydrophobicContact CG2-CD2 3.7Å; I449-L451 HydrophobicContact CG2-CG 4.34Å; I449-L451 PolarHBondContact O-N 3.07Å; I449-R464 HydrophobicContact CG1-CB 4.34Å
450	D	56.2	Low	64.2	Low	140 Å²	140	70 Å²	70	75%	0.749	39%	0.392	S	S	*	.			trans	-74.6	82.2	167.1	-71.6	-30.4	0	0	0	108.3	K452	D450-K452 PolarHBondContact O-N 3.05Å
451	L	52.7	Low	64.3	Low	57 Å²	57	68.1 Å²	68.1	30%	0.298	37%	0.367	S	S	.	.			trans	-63.5	130.2	179.6	-62.5	174.9	0	0	0	110.4	I449 L457 D462	I449-L451 HydrophobicContact CB-CD2 4.05Å; I449-L451 HydrophobicContact CB-CG 4.4Å; I449-L451 HydrophobicContact CG2-CD2 3.7Å; I449-L451 HydrophobicContact CG2-CG 4.34Å; I449-L451 PolarHBondContact O-N 3.07Å; L451-L457 HydrophobicContact CD1-CD2 3.92Å; L451-L457 HydrophobicContact CD2-CB 4.15Å; L451-L457 HydrophobicContact CD2-CD2 3.29Å; L451-L457 HydrophobicContact CD2-CG 4.32Å; L451-L457 HydrophobicContact CG-CD2 4.25Å; L451-D462 VanDerWaalsContact CD1-O 3.26Å; L451-D462 WeakPolarHBondContact CD1-O 3.36Å
452	K	51.6	Low	64.5	Low	167 Å²	167	65.8 Å²	65.8	73%	0.726	35%	0.354	S	S	*	.			trans	-70	135.3	163.5	-68.4	179.9	-176.5	170.6	0	108.1	D450 D454 S455	D450-K452 PolarHBondContact O-N 3.05Å; K452-D454 PolarHBondContact O-N 2.93Å; K452-S455 VanDerWaalsContact O-CB 3.26Å; K452-S455 WeakPolarHBondContact O-CB 3.42Å; K452-S455 PolarHBondContact O-N 3.21Å
453	P	47.4	Very low	64.6	Low	101 Å²	101	68.7 Å²	68.7	66%	0.656	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-25.6	179.1	-25.1	32.5	0	0	0	114.5
454	D	46.4	Very low	64.5	Low	160 Å²	160	69 Å²	69	86%	0.856	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	13.2	-179.2	-58	-37.8	0	0	0	113.1	K452	K452-D454 PolarHBondContact O-N 2.93Å
455	S	49.9	Very low	64.3	Low	35 Å²	35	67.8 Å²	67.8	25%	0.245	36%	0.359	C	S	.	.	S	Bend	trans	-71.4	141.2	176.9	-176.8	0	0	0	0	110.7	K452 L457 D458 A459	K452-S455 VanDerWaalsContact O-CB 3.26Å; K452-S455 WeakPolarHBondContact O-CB 3.42Å; K452-S455 PolarHBondContact O-N 3.21Å; S455-L457 PolarHBondContact O-N 3.39Å; S455-L457 WeakPolarHBondContact OG-CB 3.33Å; S455-L457 PolarHBondContact OG-N 3.44Å; S455-D458 WeakPolarHBondContact O-CB 3.01Å; S455-D458 PolarHBondContact O-N 2.02Å; S455-A459 PolarHBondContact O-N 3.29Å
456	P	49	Very low	64.1	Low	95 Å²	95	73.1 Å²	73.1	62%	0.617	39%	0.394	S	S	*	.	H	α-helix	trans	-50.8	-25.3	166.9	-23.2	31.5	0	0	0	112.7	A459 F460	P456-A459 WeakPolarHBondContact O-CB 2.9Å; P456-A459 PolarHBondContact O-N 3.49Å; P456-F460 WeakPolarHBondContact O-CD2 3.18Å; P456-F460 PolarHBondContact O-N 2.95Å
457	L	51.6	Low	64.3	Low	35 Å²	35	70.6 Å²	70.6	18%	0.183	38%	0.383	C	S	.	.	H	α-helix	trans	-64.3	-38.7	175.8	-132.4	101.4	0	0	0	112.8	L451 S455 F460 L461 D462	L451-L457 HydrophobicContact CD1-CD2 3.92Å; L451-L457 HydrophobicContact CD2-CB 4.15Å; L451-L457 HydrophobicContact CD2-CD2 3.29Å; L451-L457 HydrophobicContact CD2-CG 4.32Å; L451-L457 HydrophobicContact CG-CD2 4.25Å; S455-L457 PolarHBondContact O-N 3.39Å; S455-L457 WeakPolarHBondContact OG-CB 3.33Å; S455-L457 PolarHBondContact OG-N 3.44Å; L457-F460 PolarHBondContact O-N 3.44Å; L457-L461 PolarHBondContact O-N 3.19Å; L457-D462 HydrophobicContact CD2-CB 3.75Å; L457-D462 WeakPolarHBondContact CD2-OD2 3.5Å; L457-D462 HydrophobicContact CG-CB 3.71Å; L457-D462 WeakPolarHBondContact CG-OD2 3.38Å; L457-D462 WeakPolarHBondContact O-CB 3.23Å; L457-D462 PolarHBondContact O-N 2.9Å
458	D	56.1	Low	65	Low	69 Å²	69	67.6 Å²	67.6	37%	0.369	37%	0.365	S	S	.	.	H	α-helix	trans	-71.3	-33.3	173.8	-159.9	26.2	0	0	0	110.8	S455 F460 L461	S455-D458 WeakPolarHBondContact O-CB 3.01Å; S455-D458 PolarHBondContact O-N 2.02Å; D458-F460 PolarHBondContact O-N 2.87Å; D458-F460 VanDerWaalsContact O-N 3.16Å; D458-L461 PolarHBondContact O-N 3.37Å
459	A	52.9	Low	66.1	Low	55 Å²	55	60.3 Å²	60.3	46%	0.455	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-21.3	174.2	0	0	0	0	0	113.6	S455 P456	S455-A459 PolarHBondContact O-N 3.29Å; P456-A459 WeakPolarHBondContact O-CB 2.9Å; P456-A459 PolarHBondContact O-N 3.49Å
460	F	59	Low	67.4	Low	39 Å²	39	59.9 Å²	59.9	17%	0.171	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	5.8	172.2	-63.2	-68	0	0	0	113.3	P456 L457 D458 D462 I476 V487	P456-F460 WeakPolarHBondContact O-CD2 3.18Å; P456-F460 PolarHBondContact O-N 2.95Å; L457-F460 PolarHBondContact O-N 3.44Å; D458-F460 PolarHBondContact O-N 2.87Å; D458-F460 VanDerWaalsContact O-N 3.16Å; F460-D462 PolarHBondContact O-N 3.12Å; F460-I476 HydrophobicContact CD1-CD1 3.94Å; F460-I476 HydrophobicContact CD1-CG2 4.03Å; F460-I476 HydrophobicContact CE1-CG2 4.44Å; F460-V487 HydrophobicContact CE1-CG2 3.72Å; F460-V487 HydrophobicContact CZ-CG2 4.06Å
461	L	65.2	Low	69.2	Low	21 Å²	21	53.3 Å²	53.3	11%	0.11	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	29	-179	-58	173.2	0	0	0	114	L457 D458 Y463 Y508 H509 L528 F533	L457-L461 PolarHBondContact O-N 3.19Å; D458-L461 PolarHBondContact O-N 3.37Å; L461-Y463 PolarHBondContact O-N 3.15Å; L461-Y463 VanDerWaalsContact O-N 3.12Å; L461-Y508 HydrophobicContact CB-CD1 4.36Å; L461-Y508 HydrophobicContact CB-CE1 4.08Å; L461-Y508 HydrophobicContact CD1-CD1 3.8Å; L461-Y508 HydrophobicContact CD1-CE1 3.99Å; L461-H509 VanDerWaalsContact CD2-NE2 3.28Å; L461-H509 WeakPolarHBondContact CD2-NE2 3.42Å; L461-L528 HydrophobicContact CD2-CD2 4.49Å; L461-F533 HydrophobicContact CD1-CD1 3.92Å; L461-F533 HydrophobicContact CD1-CE1 3.71Å; L461-F533 HydrophobicContact CD1-CG 4.44Å; L461-F533 HydrophobicContact CD1-CZ 4.06Å
462	D	76.2	Confident	71	Confident	13 Å²	13	53 Å²	53	7%	0.07	30%	0.295	C	S	.	.			trans	-68.1	107.9	177.7	-171.9	6.7	0	0	0	108.9	L451 L457 F460 R464 C493	L451-D462 VanDerWaalsContact CD1-O 3.26Å; L451-D462 WeakPolarHBondContact CD1-O 3.36Å; L457-D462 HydrophobicContact CD2-CB 3.75Å; L457-D462 WeakPolarHBondContact CD2-OD2 3.5Å; L457-D462 HydrophobicContact CG-CB 3.71Å; L457-D462 WeakPolarHBondContact CG-OD2 3.38Å; L457-D462 WeakPolarHBondContact O-CB 3.23Å; L457-D462 PolarHBondContact O-N 2.9Å; F460-D462 PolarHBondContact O-N 3.12Å; D462-R464 IonicContact OD1-CZ 2.92Å; D462-R464 IonicContact OD1-NH2 3.57Å; D462-R464 IonicContact OD2-CZ 3.58Å; D462-R464 VanDerWaalsContact OD2-CZ 3.3Å; D462-R464 IonicContact OD2-NH1 2.69Å; D462-R464 PolarHBondContact OD2-NH1 2.95Å; D462-R464 IonicContact OD2-NH2 3.41Å; D462-R464 PolarHBondContact OD2-NH2 2.81Å; D462-C493 CarbonylContact C-O 3.57Å; D462-C493 WeakPolarHBondContact CA-O 3.29Å; D462-C493 WeakPolarHBondContact OD1-CA 3.47Å; D462-C493 WeakPolarHBondContact OD1-CB 3.38Å; D462-C493 PolarHBondContact OD1-N 3.3Å
463	Y	80.3	Confident	72.8	Confident	80 Å²	80	45.1 Å²	45.1	31%	0.314	26%	0.261	S	S	.	.			trans	-101.8	126.2	179.6	172.5	-90	0	0	0	109.9	L461 D467 S468 C493 K495	L461-Y463 PolarHBondContact O-N 3.15Å; L461-Y463 VanDerWaalsContact O-N 3.12Å; Y463-D467 VanDerWaalsContact CE1-OD1 3.22Å; Y463-D467 WeakPolarHBondContact CE1-OD1 3.4Å; Y463-D467 PolarHBondContact OH-OD1 2.73Å; Y463-S468 WeakPolarHBondContact O-CB 3.15Å; Y463-S468 PolarHBondContact O-OG 3.39Å; Y463-C493 PolarHBondContact N-O 3.45Å; Y463-C493 CarbonylContact O-C 3.54Å; Y463-C493 WeakPolarHBondContact O-CB 3.28Å; Y463-K495 HydrophobicContact CD1-CB 3.42Å; Y463-K495 VanDerWaalsContact CD1-CB 3.42Å; Y463-K495 HydrophobicContact CD1-CD 4.48Å; Y463-K495 HydrophobicContact CD1-CG 3.98Å; Y463-K495 HydrophobicContact CE1-CB 3.69Å; Y463-K495 HydrophobicContact CE1-CD 4.08Å; Y463-K495 HydrophobicContact CE1-CG 3.67Å; Y463-K495 HydrophobicContact CE2-CD 4.4Å; Y463-K495 HydrophobicContact CG-CB 3.94Å; Y463-K495 PolarHBondContact OH-NZ 2.95Å
464	R	83.1	Confident	74.7	Confident	7 Å²	7	43.2 Å²	43.2	3%	0.026	24%	0.243	C	C	.	.			trans	-117.5	131.6	172.6	-62	-170.2	172.8	80.1	24	112.4	Y437 T442 L444 C445 T447 I449 D462 C493	Y437-R464 PolarHBondContact OH-NH2 3.45Å; T442-R464 PolarHBondContact O-NE 3.37Å; L444-R464 WeakPolarHBondContact O-CD 3.22Å; C445-R464 CarbonylContact O-C 3.52Å; C445-R464 VanDerWaalsContact O-CA 3.27Å; C445-R464 WeakPolarHBondContact O-CA 3.35Å; T447-R464 WeakPolarHBondContact O-CB 2.98Å; I449-R464 HydrophobicContact CG1-CB 4.34Å; D462-R464 IonicContact OD1-CZ 2.92Å; D462-R464 IonicContact OD1-NH2 3.57Å; D462-R464 IonicContact OD2-CZ 3.58Å; D462-R464 VanDerWaalsContact OD2-CZ 3.3Å; D462-R464 IonicContact OD2-NH1 2.69Å; D462-R464 PolarHBondContact OD2-NH1 2.95Å; D462-R464 IonicContact OD2-NH2 3.41Å; D462-R464 PolarHBondContact OD2-NH2 2.81Å; R464-C493 HydrophobicContact CG-CB 4.04Å
465	G	84.8	Confident	76.8	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.01	21%	0.214	C	C	.	.	S	Bend	trans	168.5	172.4	-179.1	0	0	0	0	0	111.6	C445 E446 D467 S468	C445-G465 PolarHBondContact O-N 3.3Å; E446-G465 VanDerWaalsContact CA-O 3.29Å; E446-G465 WeakPolarHBondContact CA-O 3.46Å; E446-G465 CarbonylContact O-C 3.49Å; E446-G465 WeakPolarHBondContact O-CA 3.38Å; G465-D467 PolarHBondContact O-N 2.89Å; G465-S468 VanDerWaalsContact O-CB 3.24Å; G465-S468 WeakPolarHBondContact O-CB 3.48Å; G465-S468 PolarHBondContact O-N 3.33Å
466	P	86.2	Confident	78.6	Confident	112 Å²	112	36 Å²	36	73%	0.727	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-15.2	-170.3	-26.3	34.8	0	0	0	115.7
467	D	89.5	Confident	80.5	Confident	54 Å²	54	35.4 Å²	35.4	29%	0.289	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	27	178.2	61.6	-25.1	0	0	0	112.7	Y463 G465 K495 F496	Y463-D467 VanDerWaalsContact CE1-OD1 3.22Å; Y463-D467 WeakPolarHBondContact CE1-OD1 3.4Å; Y463-D467 PolarHBondContact OH-OD1 2.73Å; G465-D467 PolarHBondContact O-N 2.89Å; D467-K495 CarbonylContact O-C 3.53Å; D467-K495 WeakPolarHBondContact O-CA 3.47Å; D467-K495 IonicContact OD1-NZ 3.97Å; D467-K495 WeakPolarHBondContact OD2-CE 3.41Å; D467-K495 IonicContact OD2-NZ 2.65Å; D467-K495 PolarHBondContact OD2-NZ 2.8Å; D467-F496 WeakPolarHBondContact O-CD1 3.34Å; D467-F496 PolarHBondContact O-N 3.23Å
468	S	91.9	Very high	82.1	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	149.6	176.8	-167.9	0	0	0	0	112.1	N385 C445 Y463 G465 C493 H494	N385-S468 PolarHBondContact ND2-O 2.92Å; C445-S468 VanDerWaalsContact O-CB 3.32Å; C445-S468 WeakPolarHBondContact O-CB 3.3Å; Y463-S468 WeakPolarHBondContact O-CB 3.15Å; Y463-S468 PolarHBondContact O-OG 3.39Å; G465-S468 VanDerWaalsContact O-CB 3.24Å; G465-S468 WeakPolarHBondContact O-CB 3.48Å; G465-S468 PolarHBondContact O-N 3.33Å; S468-C493 WeakPolarHBondContact OG-CB 3.41Å; S468-H494 VanDerWaalsContact CA-O 3.31Å; S468-H494 WeakPolarHBondContact CA-O 3.25Å; S468-H494 VanDerWaalsContact OG-C 3.26Å; S468-H494 PolarHBondContact OG-N 2.61Å; S468-H494 PolarHBondContact OG-O 3.12Å
469	A	92.6	Very high	83.7	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	156.1	170.7	0	0	0	0	0	111.6	N385 F471 C493 H494 F496 L545	N385-A469 WeakPolarHBondContact OD1-CA 3.23Å; A469-F471 HydrophobicContact CB-CE2 3.83Å; A469-F471 HydrophobicContact CB-CZ 4.28Å; A469-F471 WeakPolarHBondContact O-CD2 3.5Å; A469-F471 VanDerWaalsContact O-CE2 3.29Å; A469-F471 WeakPolarHBondContact O-CE2 3.44Å; A469-C493 CarbonylContact O-C 3.56Å; A469-C493 WeakPolarHBondContact O-CA 3.34Å; A469-H494 PolarHBondContact N-O 2.84Å; A469-H494 PolarHBondContact O-N 2.98Å; A469-F496 HydrophobicContact CB-CD1 3.69Å; A469-F496 HydrophobicContact CB-CE1 3.54Å; A469-F496 HydrophobicContact CB-CZ 4.3Å; A469-L545 HydrophobicContact CB-CD1 4.32Å; A469-L545 HydrophobicContact CB-CD2 3.86Å
470	C	93	Very high	85.2	Confident	17 Å²	17	35.5 Å²	35.5	12%	0.115	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	129.2	172.5	-170.1	0	0	0	0	110.9	C380 N385 C445 S492	C380-C470 WeakPolarHBondContact CA-SG 3.45Å; C380-C470 HydrophobicContact CB-CB 3.68Å; C380-C470 WeakPolarHBondContact CB-SG 3.46Å; C380-C470 WeakPolarHBondContact SG-CB 3.46Å; C380-C470 CovalentContact SG-SG 2.04Å; C380-C470 PolarHBondContact SG-SG 3.02Å; N385-C470 PolarHBondContact OD1-N 3.29Å; C445-C470 VanDerWaalsContact SG-CA 3.58Å; C445-C470 PolarHBondContact SG-N 3.32Å; C445-C470 VanDerWaalsContact SG-N 3.38Å; C470-S492 CarbonylContact C-O 3.49Å; C470-S492 WeakPolarHBondContact CA-O 3.01Å
471	F	93	Very high	86.4	Confident	2 Å²	2	37 Å²	37	1%	0.009	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	150.1	171.6	-63	-99.3	0	0	0	110.1	C380 A469 P491 S492 H494 F496 V506 V537 P540 L545	C380-F471 PolarHBondContact SG-N 2.68Å; C380-F471 VanDerWaalsContact SG-N 3.37Å; C380-F471 PolarHBondContact SG-O 3.08Å; C380-F471 VanDerWaalsContact SG-O 3.38Å; A469-F471 HydrophobicContact CB-CE2 3.83Å; A469-F471 HydrophobicContact CB-CZ 4.28Å; A469-F471 WeakPolarHBondContact O-CD2 3.5Å; A469-F471 VanDerWaalsContact O-CE2 3.29Å; A469-F471 WeakPolarHBondContact O-CE2 3.44Å; F471-P491 VanDerWaalsContact O-CA 3.29Å; F471-P491 WeakPolarHBondContact O-CA 3.37Å; F471-S492 PolarHBondContact N-O 3.16Å; F471-S492 PolarHBondContact O-N 2.03Å; F471-H494 HydrophobicContact CD2-CB 3.67Å; F471-H494 AromaticContact CD2-CD2 3.63Å; F471-H494 HydrophobicContact CE2-CB 3.81Å; F471-H494 AromaticContact CG-CD2 3.86Å; F471-F496 HydrophobicContact CZ-CB 4.22Å; F471-V506 HydrophobicContact CE1-CG2 3.99Å; F471-V506 HydrophobicContact CZ-CG2 4.04Å; F471-V537 HydrophobicContact CB-CG1 3.9Å; F471-V537 HydrophobicContact CD1-CG1 3.86Å; F471-V537 HydrophobicContact CG-CG1 4.04Å; F471-P540 HydrophobicContact CE1-CG 4.38Å; F471-L545 HydrophobicContact CE1-CD1 4.07Å; F471-L545 HydrophobicContact CZ-CD1 3.84Å
472	M	91.7	Very high	87.3	Confident	51 Å²	51	41.8 Å²	41.8	25%	0.251	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	110.5	169.8	-69	-61.6	-57.4	0	0	108.1	K379 C380 P491 Q538	K379-M472 HydrophobicContact CB-SD 4.14Å; K379-M472 HydrophobicContact CG-CE 4.21Å; K379-M472 HydrophobicContact CG-SD 4.4Å; C380-M472 HydrophobicContact CB-SD 4.38Å; C380-M472 PolarHBondContact N-SD 3.28Å; C380-M472 VanDerWaalsContact N-SD 3.4Å; M472-P491 HydrophobicContact SD-CB 3.81Å; M472-Q538 HydrophobicContact CB-CB 4.24Å; M472-Q538 WeakPolarHBondContact O-CA 3.09Å; M472-Q538 WeakPolarHBondContact O-CB 3.38Å; M472-Q538 PolarHBondContact O-N 2.91Å
473	D	88.1	Confident	87.8	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	123.2	174	-54.5	-37.6	0	0	0	109	I476 K489 K490 S492 H494 I535 D536	D473-I476 HydrophobicContact CB-CD1 4.09Å; D473-I476 HydrophobicContact CB-CG1 3.93Å; D473-K489 CarbonylContact O-C 3.6Å; D473-K489 WeakPolarHBondContact O-CA 3.01Å; D473-K489 PolarHBondContact O-N 2.04Å; D473-K490 WeakPolarHBondContact CB-O 3.43Å; D473-K490 PolarHBondContact N-O 3.02Å; D473-K490 PolarHBondContact O-N 3.36Å; D473-S492 WeakPolarHBondContact OD2-CB 3Å; D473-S492 PolarHBondContact OD2-OG 2.9Å; D473-H494 IonicContact OD1-CD2 3.5Å; D473-H494 IonicContact OD1-NE2 3.17Å; D473-H494 PolarHBondContact OD1-NE2 2.88Å; D473-H494 IonicContact OD2-CE1 3.87Å; D473-H494 IonicContact OD2-NE2 2.93Å; D473-H494 PolarHBondContact OD2-NE2 3.08Å; D473-I535 HydrophobicContact CB-CD1 3.96Å; D473-I535 HydrophobicContact CB-CG1 4.12Å; D473-I535 WeakPolarHBondContact OD1-CD1 3.17Å; D473-I535 WeakPolarHBondContact OD2-CD1 3.47Å; D473-D536 CarbonylContact C-O 3.55Å; D473-D536 WeakPolarHBondContact CA-O 3.41Å
474	E	89.2	Confident	88.2	Confident	61 Å²	61	50.7 Å²	50.7	29%	0.285	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	-46	179.9	-72.3	-64	154.8	0	0	110.6	E488 K489 I521 D536 Q538	E474-E488 VanDerWaalsContact O-CA 3.32Å; E474-E488 WeakPolarHBondContact O-CA 3.24Å; E474-K489 PolarHBondContact O-N 3.34Å; E474-I521 HydrophobicContact CG-CD1 3.93Å; E474-I521 HydrophobicContact CG-CG1 4.21Å; E474-D536 HydrophobicContact CB-CB 4.07Å; E474-D536 PolarHBondContact N-O 3.01Å; E474-Q538 HydrophobicContact CG-CB 4.29Å
475	T	90.1	Very high	88.3	Confident	41 Å²	41	55.3 Å²	55.3	25%	0.252	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	133.3	178.2	-62.8	0	0	0	0	110.2	I486 V487 I535 D536	T475-I486 HydrophobicContact CG2-CG2 3.92Å; T475-V487 CarbonylContact C-O 3.11Å; T475-V487 WeakPolarHBondContact CA-O 3.48Å; T475-I535 CarbonylContact O-C 3.5Å; T475-I535 WeakPolarHBondContact O-CA 3.34Å; T475-D536 PolarHBondContact O-N 3.37Å
476	I	86.9	Confident	88.4	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.015	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.8	170	-53.9	170.3	0	0	0	107.7	F460 D473 I486 V487 K490 F533 I535	F460-I476 HydrophobicContact CD1-CD1 3.94Å; F460-I476 HydrophobicContact CD1-CG2 4.03Å; F460-I476 HydrophobicContact CE1-CG2 4.44Å; D473-I476 HydrophobicContact CB-CD1 4.09Å; D473-I476 HydrophobicContact CB-CG1 3.93Å; I476-I486 CarbonylContact O-C 3.54Å; I476-I486 VanDerWaalsContact O-CA 3.31Å; I476-I486 WeakPolarHBondContact O-CA 3.44Å; I476-V487 HydrophobicContact CB-CB 4.35Å; I476-V487 PolarHBondContact N-O 3.13Å; I476-V487 PolarHBondContact O-N 2.9Å; I476-K490 HydrophobicContact CD1-CD 4.42Å; I476-F533 HydrophobicContact CG2-CD2 4.2Å; I476-F533 HydrophobicContact CG2-CE2 3.3Å; I476-F533 HydrophobicContact CG2-CZ 3.8Å; I476-I535 HydrophobicContact CD1-CD1 4.35Å; I476-I535 HydrophobicContact CG1-CD1 3.92Å; I476-I535 HydrophobicContact CG1-CG1 3.97Å
477	K	88.9	Confident	88.4	Confident	82 Å²	82	55.8 Å²	55.8	36%	0.357	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	119.7	-178.9	179.2	-178.9	179.9	-177.3	0	110.5	V479 T484 H485 I486 F533 F534	K477-V479 HydrophobicContact CD-CG2 4.37Å; K477-V479 HydrophobicContact CG-CG2 4.08Å; K477-T484 HydrophobicContact CD-CG2 4.47Å; K477-T484 HydrophobicContact CG-CG2 4.04Å; K477-H485 WeakPolarHBondContact CA-O 3.41Å; K477-I486 HydrophobicContact CG-CG1 4.24Å; K477-F533 CarbonylContact O-C 3.54Å; K477-F533 WeakPolarHBondContact O-CA 3.09Å; K477-F534 HydrophobicContact CB-CB 4.3Å; K477-F534 HydrophobicContact CD-CD2 4.37Å; K477-F534 HydrophobicContact CG-CD2 4.49Å; K477-F534 PolarHBondContact N-O 3Å; K477-F534 PolarHBondContact O-N 2.62Å
478	Y	86.4	Confident	88.4	Confident	64 Å²	64	59.9 Å²	59.9	25%	0.251	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.9	173.1	178.8	-104.6	0	0	0	110.5	N480 T484 H485 L528	Y478-N480 HydrophobicContact CD1-CB 4.46Å; Y478-N480 HydrophobicContact CE1-CB 3.6Å; Y478-N480 PolarHBondContact OH-ND2 3.45Å; Y478-T484 CarbonylContact O-C 3.55Å; Y478-T484 WeakPolarHBondContact O-CA 3.35Å; Y478-H485 PolarHBondContact N-O 2.82Å; Y478-H485 PolarHBondContact O-N 3.43Å; Y478-L528 HydrophobicContact CD2-CD1 3.91Å; Y478-L528 HydrophobicContact CE2-CB 4.41Å; Y478-L528 HydrophobicContact CE2-CD1 3.7Å
479	V	87.9	Confident	88.2	Confident	31 Å²	31	67 Å²	67	19%	0.188	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	113.8	-178	-175.7	0	0	0	0	109.5	K477 R483 T484 G531 Y532	K477-V479 HydrophobicContact CD-CG2 4.37Å; K477-V479 HydrophobicContact CG-CG2 4.08Å; V479-R483 WeakPolarHBondContact CA-O 3.39Å; V479-T484 HydrophobicContact CG2-CG2 4.21Å; V479-G531 CarbonylContact O-C 3.25Å; V479-G531 WeakPolarHBondContact O-CA 3.32Å; V479-Y532 PolarHBondContact N-O 3.46Å; V479-Y532 PolarHBondContact O-N 3.28Å
480	N	85.2	Confident	88	Confident	66 Å²	66	69.6 Å²	69.6	35%	0.353	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	106.6	174	178.9	-19	0	0	0	109.3	Y478 S482 R483 D530	Y478-N480 HydrophobicContact CD1-CB 4.46Å; Y478-N480 HydrophobicContact CE1-CB 3.6Å; Y478-N480 PolarHBondContact OH-ND2 3.45Å; N480-S482 PolarHBondContact O-N 3.4Å; N480-S482 VanDerWaalsContact O-N 3.13Å; N480-R483 PolarHBondContact N-O 2.91Å; N480-R483 WeakPolarHBondContact O-CB 3.39Å; N480-R483 PolarHBondContact O-N 2.78Å; N480-D530 VanDerWaalsContact CB-O 3.28Å; N480-D530 WeakPolarHBondContact CB-O 2.94Å; N480-D530 PolarHBondContact ND2-O 3.15Å; N480-D530 VanDerWaalsContact ND2-O 3.09Å; N480-D530 PolarHBondContact OD1-O 2.96Å
481	G	84.8	Confident	87.9	Confident	70 Å²	70	69 Å²	69	72%	0.722	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	-116.3	-173.7	0	0	0	0	0	111.3
482	S	84.4	Confident	87.7	Confident	122 Å²	122	69 Å²	69	85%	0.853	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-10.4	176.1	59.4	0	0	0	0	114.3	N480	N480-S482 PolarHBondContact O-N 3.4Å; N480-S482 VanDerWaalsContact O-N 3.13Å
483	R	86	Confident	87.6	Confident	204 Å²	204	66.6 Å²	66.6	77%	0.77	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	123.8	-177.9	-63.2	-179.1	-179.4	179.1	0.7	109.4	V479 N480	V479-R483 WeakPolarHBondContact CA-O 3.39Å; N480-R483 PolarHBondContact N-O 2.91Å; N480-R483 WeakPolarHBondContact O-CB 3.39Å; N480-R483 PolarHBondContact O-N 2.78Å
484	T	87.8	Confident	87.8	Confident	76 Å²	76	66.6 Å²	66.6	47%	0.466	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.7	171.4	-60.1	0	0	0	0	108.6	K477 Y478 V479 I486	K477-T484 HydrophobicContact CD-CG2 4.47Å; K477-T484 HydrophobicContact CG-CG2 4.04Å; Y478-T484 CarbonylContact O-C 3.55Å; Y478-T484 WeakPolarHBondContact O-CA 3.35Å; V479-T484 HydrophobicContact CG2-CG2 4.21Å; T484-I486 HydrophobicContact CG2-CD1 4.22Å; T484-I486 HydrophobicContact CG2-CG1 3.93Å
485	H	85.7	Confident	87.9	Confident	103 Å²	103	66.6 Å²	66.6	48%	0.477	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.9	172.7	-174.3	-91.3	0	0	0	108.7	K477 Y478 V487	K477-H485 WeakPolarHBondContact CA-O 3.41Å; Y478-H485 PolarHBondContact N-O 2.82Å; Y478-H485 PolarHBondContact O-N 3.43Å; H485-V487 WeakPolarHBondContact CE1-CG2 3.45Å
486	I	87.7	Confident	88	Confident	93 Å²	93	66.3 Å²	66.3	48%	0.477	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.9	-179.6	-56	178.7	0	0	0	108.1	T475 I476 K477 T484 E488	T475-I486 HydrophobicContact CG2-CG2 3.92Å; I476-I486 CarbonylContact O-C 3.54Å; I476-I486 VanDerWaalsContact O-CA 3.31Å; I476-I486 WeakPolarHBondContact O-CA 3.44Å; K477-I486 HydrophobicContact CG-CG1 4.24Å; T484-I486 HydrophobicContact CG2-CD1 4.22Å; T484-I486 HydrophobicContact CG2-CG1 3.93Å; I486-E488 HydrophobicContact CG2-CG 4.17Å
487	V	86.4	Confident	88.3	Confident	31 Å²	31	72.3 Å²	72.3	19%	0.188	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.6	170.1	-173.8	0	0	0	0	107.6	F460 T475 I476 H485 K490	F460-V487 HydrophobicContact CE1-CG2 3.72Å; F460-V487 HydrophobicContact CZ-CG2 4.06Å; T475-V487 CarbonylContact C-O 3.11Å; T475-V487 WeakPolarHBondContact CA-O 3.48Å; I476-V487 HydrophobicContact CB-CB 4.35Å; I476-V487 PolarHBondContact N-O 3.13Å; I476-V487 PolarHBondContact O-N 2.9Å; H485-V487 WeakPolarHBondContact CE1-CG2 3.45Å; V487-K490 HydrophobicContact CG1-CB 3.91Å; V487-K490 HydrophobicContact CG1-CD 3.75Å; V487-K490 HydrophobicContact CG1-CG 4.44Å
488	E	89.2	Confident	88.6	Confident	139 Å²	139	70.1 Å²	70.1	65%	0.65	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	149.2	-179.8	-62.7	-179.1	169.1	0	0	110.2	E474 I486 K490	E474-E488 VanDerWaalsContact O-CA 3.32Å; E474-E488 WeakPolarHBondContact O-CA 3.24Å; I486-E488 HydrophobicContact CG2-CG 4.17Å; E488-K490 PolarHBondContact O-N 3.49Å
489	K	86.9	Confident	88.8	Confident	150 Å²	150	68.5 Å²	68.5	65%	0.652	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.1	54.3	171	-60.4	-177.8	179	179.2	0	113.7	D473 E474	D473-K489 CarbonylContact O-C 3.6Å; D473-K489 WeakPolarHBondContact O-CA 3.01Å; D473-K489 PolarHBondContact O-N 2.04Å; E474-K489 PolarHBondContact O-N 3.34Å
490	K	88.8	Confident	88.9	Confident	55 Å²	55	74.7 Å²	74.7	24%	0.239	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.4	-177.2	-179.2	172.4	172.7	-171.1	0	110.6	D473 I476 V487 E488	D473-K490 WeakPolarHBondContact CB-O 3.43Å; D473-K490 PolarHBondContact N-O 3.02Å; D473-K490 PolarHBondContact O-N 3.36Å; I476-K490 HydrophobicContact CD1-CD 4.42Å; V487-K490 HydrophobicContact CG1-CB 3.91Å; V487-K490 HydrophobicContact CG1-CD 3.75Å; V487-K490 HydrophobicContact CG1-CG 4.44Å; E488-K490 PolarHBondContact O-N 3.49Å
491	P	91	Very high	89.2	Confident	4 Å²	4	79.1 Å²	79.1	3%	0.026	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	142.3	168.8	32.3	-36.6	0	0	0	111.3	Q378 I387 F471 M472	Q378-P491 HydrophobicContact CB-CG 3.61Å; Q378-P491 WeakPolarHBondContact O-CD 3.02Å; I387-P491 HydrophobicContact CG1-CB 4.15Å; I387-P491 HydrophobicContact CG1-CG 4.49Å; I387-P491 HydrophobicContact CG2-CB 4.09Å; I387-P491 HydrophobicContact CG2-CG 3.56Å; F471-P491 VanDerWaalsContact O-CA 3.29Å; F471-P491 WeakPolarHBondContact O-CA 3.37Å; M472-P491 HydrophobicContact SD-CB 3.81Å
492	S	88.9	Confident	89.5	Confident	2 Å²	2	78.9 Å²	78.9	1%	0.014	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	160.2	175.6	66.6	0	0	0	0	110.5	C470 F471 D473 H494	C470-S492 CarbonylContact C-O 3.49Å; C470-S492 WeakPolarHBondContact CA-O 3.01Å; F471-S492 PolarHBondContact N-O 3.16Å; F471-S492 PolarHBondContact O-N 2.03Å; D473-S492 WeakPolarHBondContact OD2-CB 3Å; D473-S492 PolarHBondContact OD2-OG 2.9Å; S492-H494 PolarHBondContact OG-CE1 3.01Å; S492-H494 PolarHBondContact OG-NE2 2.8Å
493	C	90.1	Very high	89.9	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.2	176.6	-56.7	0	0	0	0	110.2	C445 D462 Y463 R464 S468 A469	C445-C493 WeakPolarHBondContact CA-SG 3.18Å; C445-C493 HydrophobicContact CB-CB 3.51Å; C445-C493 WeakPolarHBondContact CB-SG 3.31Å; C445-C493 WeakPolarHBondContact SG-CB 3.31Å; C445-C493 CovalentContact SG-SG 2.03Å; C445-C493 PolarHBondContact SG-SG 3.44Å; D462-C493 CarbonylContact C-O 3.57Å; D462-C493 WeakPolarHBondContact CA-O 3.29Å; D462-C493 WeakPolarHBondContact OD1-CA 3.47Å; D462-C493 WeakPolarHBondContact OD1-CB 3.38Å; D462-C493 PolarHBondContact OD1-N 3.3Å; Y463-C493 PolarHBondContact N-O 3.45Å; Y463-C493 CarbonylContact O-C 3.54Å; Y463-C493 WeakPolarHBondContact O-CB 3.28Å; R464-C493 HydrophobicContact CG-CB 4.04Å; S468-C493 WeakPolarHBondContact OG-CB 3.41Å; A469-C493 CarbonylContact O-C 3.56Å; A469-C493 WeakPolarHBondContact O-CA 3.34Å
494	H	90.7	Very high	90.4	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.009	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.5	176.1	-59.4	-50	0	0	0	111.7	S468 A469 F471 D473 S492 F496 V506 Y508	S468-H494 VanDerWaalsContact CA-O 3.31Å; S468-H494 WeakPolarHBondContact CA-O 3.25Å; S468-H494 VanDerWaalsContact OG-C 3.26Å; S468-H494 PolarHBondContact OG-N 2.61Å; S468-H494 PolarHBondContact OG-O 3.12Å; A469-H494 PolarHBondContact N-O 2.84Å; A469-H494 PolarHBondContact O-N 2.98Å; F471-H494 HydrophobicContact CD2-CB 3.67Å; F471-H494 AromaticContact CD2-CD2 3.63Å; F471-H494 HydrophobicContact CE2-CB 3.81Å; F471-H494 AromaticContact CG-CD2 3.86Å; D473-H494 IonicContact OD1-CD2 3.5Å; D473-H494 IonicContact OD1-NE2 3.17Å; D473-H494 PolarHBondContact OD1-NE2 2.88Å; D473-H494 IonicContact OD2-CE1 3.87Å; D473-H494 IonicContact OD2-NE2 2.93Å; D473-H494 PolarHBondContact OD2-NE2 3.08Å; S492-H494 PolarHBondContact OG-CE1 3.01Å; S492-H494 PolarHBondContact OG-NE2 2.8Å; H494-F496 PolarHBondContact O-N 3.41Å; H494-V506 HydrophobicContact CB-CG1 3.63Å; H494-Y508 PolarHBondContact CD2-OH 2.04Å; H494-Y508 AromaticContact CE1-CZ 3.69Å; H494-Y508 PolarHBondContact CE1-OH 3.13Å; H494-Y508 AromaticContact ND1-CZ 3.62Å; H494-Y508 PolarHBondContact ND1-OH 2.85Å; H494-Y508 PolarHBondContact NE2-OH 3.25Å
495	K	91.3	Very high	90.7	Very high	61 Å²	61	60.4 Å²	60.4	27%	0.265	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	134	168.7	-166.4	-178.8	-179.3	87.8	0	109.4	Y463 D467 I507	Y463-K495 HydrophobicContact CD1-CB 3.42Å; Y463-K495 VanDerWaalsContact CD1-CB 3.42Å; Y463-K495 HydrophobicContact CD1-CD 4.48Å; Y463-K495 HydrophobicContact CD1-CG 3.98Å; Y463-K495 HydrophobicContact CE1-CB 3.69Å; Y463-K495 HydrophobicContact CE1-CD 4.08Å; Y463-K495 HydrophobicContact CE1-CG 3.67Å; Y463-K495 HydrophobicContact CE2-CD 4.4Å; Y463-K495 HydrophobicContact CG-CB 3.94Å; Y463-K495 PolarHBondContact OH-NZ 2.95Å; D467-K495 CarbonylContact O-C 3.53Å; D467-K495 WeakPolarHBondContact O-CA 3.47Å; D467-K495 IonicContact OD1-NZ 3.97Å; D467-K495 WeakPolarHBondContact OD2-CE 3.41Å; D467-K495 IonicContact OD2-NZ 2.65Å; D467-K495 PolarHBondContact OD2-NZ 2.8Å; K495-I507 HydrophobicContact CB-CB 4.1Å; K495-I507 HydrophobicContact CD-CB 4.05Å; K495-I507 HydrophobicContact CD-CG2 4.07Å; K495-I507 HydrophobicContact CG-CB 4.13Å; K495-I507 HydrophobicContact CG-CG1 4.4Å; K495-I507 PolarHBondContact O-N 2.88Å
496	F	92.9	Very high	91.1	Very high	35 Å²	35	55.5 Å²	55.5	15%	0.154	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	162.8	176.8	79.6	-74.3	0	0	0	111.6	D467 A469 F471 H494 V504 E505 L545	D467-F496 WeakPolarHBondContact O-CD1 3.34Å; D467-F496 PolarHBondContact O-N 3.23Å; A469-F496 HydrophobicContact CB-CD1 3.69Å; A469-F496 HydrophobicContact CB-CE1 3.54Å; A469-F496 HydrophobicContact CB-CZ 4.3Å; F471-F496 HydrophobicContact CZ-CB 4.22Å; H494-F496 PolarHBondContact O-N 3.41Å; F496-V504 HydrophobicContact CD2-CG1 4.37Å; F496-E505 CarbonylContact C-O 3.56Å; F496-E505 VanDerWaalsContact CA-O 3.23Å; F496-E505 WeakPolarHBondContact CA-O 3.32Å; F496-L545 HydrophobicContact CD2-CD1 4.32Å; F496-L545 HydrophobicContact CE2-CB 3.98Å; F496-L545 HydrophobicContact CE2-CD1 4.33Å; F496-L545 HydrophobicContact CZ-CB 4.47Å
497	R	94.1	Very high	91.2	Very high	128 Å²	128	52.4 Å²	52.4	48%	0.483	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	153.7	167.8	68.4	-179.2	-171.3	-156.8	-5.3	110.7	E505 I507 A512	R497-E505 HydrophobicContact CG-CB 3.85Å; R497-E505 IonicContact CZ-OE1 3.3Å; R497-E505 IonicContact CZ-OE2 2.72Å; R497-E505 PolarHBondContact N-O 3.32Å; R497-E505 VanDerWaalsContact NE-CD 3.33Å; R497-E505 IonicContact NE-OE1 2.64Å; R497-E505 PolarHBondContact NE-OE1 3.13Å; R497-E505 IonicContact NE-OE2 3.4Å; R497-E505 PolarHBondContact NE-OE2 3.08Å; R497-E505 IonicContact NH2-OE1 3.85Å; R497-E505 PolarHBondContact NH2-OE1 2.84Å; R497-E505 IonicContact NH2-OE2 3.52Å; R497-E505 PolarHBondContact O-N 3.37Å; R497-I507 HydrophobicContact CG-CD1 4.13Å; R497-A512 VanDerWaalsContact NH2-CB 3.34Å
498	C	94.4	Very high	91.1	Very high	37 Å²	37	51.3 Å²	51.3	25%	0.25	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.4	175.2	-67.1	0	0	0	0	110.9	G503 C546 K549	C498-G503 WeakPolarHBondContact CA-O 3.02Å; C498-C546 VanDerWaalsContact CA-SG 3.57Å; C498-C546 HydrophobicContact CB-CB 3.72Å; C498-C546 WeakPolarHBondContact CB-SG 3.37Å; C498-C546 WeakPolarHBondContact SG-CA 3.49Å; C498-C546 WeakPolarHBondContact SG-CB 3.33Å; C498-C546 CovalentContact SG-SG 2.03Å; C498-C546 PolarHBondContact SG-SG 2.99Å; C498-K549 HydrophobicContact CB-CB 4.07Å; C498-K549 HydrophobicContact CB-CD 3.87Å
499	S	91.2	Very high	90.7	Very high	29 Å²	29	49.3 Å²	49.3	20%	0.203	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	140	171.5	77.3	0	0	0	0	111.7	K501 F502 G503 E505 K549	S499-K501 PolarHBondContact O-N 3.45Å; S499-F502 PolarHBondContact O-N 2.93Å; S499-F502 WeakPolarHBondContact OG-CB 3.35Å; S499-F502 WeakPolarHBondContact OG-CD2 3.34Å; S499-F502 PolarHBondContact OG-N 3.26Å; S499-F502 VanDerWaalsContact OG-N 3.08Å; S499-G503 PolarHBondContact N-O 3.32Å; S499-G503 WeakPolarHBondContact O-CA 3.44Å; S499-G503 PolarHBondContact O-N 3.38Å; S499-E505 PolarHBondContact OG-OE2 3.03Å; S499-K549 CarbonylContact C-O 3.56Å; S499-K549 VanDerWaalsContact C-O 3.25Å
500	K	90.2	Very high	90.5	Very high	162 Å²	162	45.5 Å²	45.5	70%	0.704	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-21.2	176.9	-70.1	-173.3	176.1	-175.9	0	113.6	K549	K500-K549 WeakPolarHBondContact CA-O 3.39Å; K500-K549 PolarHBondContact N-O 2.79Å
501	K	91.4	Very high	90.5	Very high	158 Å²	158	48.5 Å²	48.5	69%	0.687	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-41.4	-178.3	-176.2	176.4	174.9	-175.6	0	112.5	S499 P551	S499-K501 PolarHBondContact O-N 3.45Å; K501-P551 WeakPolarHBondContact O-CG 3.32Å
502	F	90.7	Very high	90.5	Very high	66 Å²	66	50.2 Å²	50.2	29%	0.289	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-17.5	-170.9	-57.5	-66	0	0	0	113.5	S499 E505 Q514	S499-F502 PolarHBondContact O-N 2.93Å; S499-F502 WeakPolarHBondContact OG-CB 3.35Å; S499-F502 WeakPolarHBondContact OG-CD2 3.34Å; S499-F502 PolarHBondContact OG-N 3.26Å; S499-F502 VanDerWaalsContact OG-N 3.08Å; F502-E505 HydrophobicContact CB-CG 3.92Å; F502-Q514 HydrophobicContact CB-CG 4.1Å; F502-Q514 PolarHBondContact O-NE2 2.98Å; F502-Q514 VanDerWaalsContact O-NE2 3.13Å
503	G	93.4	Very high	90.7	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	82.9	-126.9	-172.7	0	0	0	0	0	110.9	C498 S499 C542	C498-G503 WeakPolarHBondContact CA-O 3.02Å; S499-G503 PolarHBondContact N-O 3.32Å; S499-G503 WeakPolarHBondContact O-CA 3.44Å; S499-G503 PolarHBondContact O-N 3.38Å; G503-C542 WeakPolarHBondContact CA-SG 3.43Å
504	V	95.5	Very high	91	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128	175.6	177.6	0	0	0	0	108.9	F496 C515 C542 L545 C546	F496-V504 HydrophobicContact CD2-CG1 4.37Å; V504-C515 HydrophobicContact CB-CB 3.95Å; V504-C515 HydrophobicContact CG1-CB 4.21Å; V504-C515 WeakPolarHBondContact O-CB 3.38Å; V504-C515 PolarHBondContact O-N 3.06Å; V504-C542 HydrophobicContact CG2-CB 4.34Å; V504-L545 HydrophobicContact CG1-CD1 4.15Å; V504-L545 HydrophobicContact CG2-CB 4.13Å; V504-L545 HydrophobicContact CG2-CD1 4.18Å; V504-C546 WeakPolarHBondContact CG2-SG 3.41Å
505	E	94.7	Very high	91.2	Very high	12 Å²	12	57.7 Å²	57.7	6%	0.056	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.1	168.9	-64.8	169.7	89.2	0	0	108.7	F496 R497 S499 F502 A512 F513	F496-E505 CarbonylContact C-O 3.56Å; F496-E505 VanDerWaalsContact CA-O 3.23Å; F496-E505 WeakPolarHBondContact CA-O 3.32Å; R497-E505 HydrophobicContact CG-CB 3.85Å; R497-E505 IonicContact CZ-OE1 3.3Å; R497-E505 IonicContact CZ-OE2 2.72Å; R497-E505 PolarHBondContact N-O 3.32Å; R497-E505 VanDerWaalsContact NE-CD 3.33Å; R497-E505 IonicContact NE-OE1 2.64Å; R497-E505 PolarHBondContact NE-OE1 3.13Å; R497-E505 IonicContact NE-OE2 3.4Å; R497-E505 PolarHBondContact NE-OE2 3.08Å; R497-E505 IonicContact NH2-OE1 3.85Å; R497-E505 PolarHBondContact NH2-OE1 2.84Å; R497-E505 IonicContact NH2-OE2 3.52Å; R497-E505 PolarHBondContact O-N 3.37Å; S499-E505 PolarHBondContact OG-OE2 3.03Å; F502-E505 HydrophobicContact CB-CG 3.92Å; E505-A512 HydrophobicContact CB-CB 4.3Å; E505-F513 CarbonylContact C-O 3.59Å; E505-F513 VanDerWaalsContact CA-O 3.29Å; E505-F513 WeakPolarHBondContact CA-O 3.21Å
506	V	93.2	Very high	91.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	135.9	174.9	-168.6	0	0	0	0	108.7	F471 H494 Y508 F513 I522	F471-V506 HydrophobicContact CE1-CG2 3.99Å; F471-V506 HydrophobicContact CZ-CG2 4.04Å; H494-V506 HydrophobicContact CB-CG1 3.63Å; V506-Y508 HydrophobicContact CB-CE2 4.41Å; V506-Y508 HydrophobicContact CG1-CD2 3.81Å; V506-Y508 HydrophobicContact CG1-CE2 3.45Å; V506-Y508 VanDerWaalsContact CG1-CE2 3.45Å; V506-F513 PolarHBondContact N-O 3.21Å; V506-F513 PolarHBondContact O-N 3.11Å; V506-I522 HydrophobicContact CB-CD1 4.45Å; V506-I522 HydrophobicContact CG2-CD1 4.16Å
507	I	90.2	Very high	91.4	Very high	29 Å²	29	58.2 Å²	58.2	15%	0.149	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	116.7	-174.2	-51.5	-57.9	0	0	0	110.1	K495 R497 H511 A512	K495-I507 HydrophobicContact CB-CB 4.1Å; K495-I507 HydrophobicContact CD-CB 4.05Å; K495-I507 HydrophobicContact CD-CG2 4.07Å; K495-I507 HydrophobicContact CG-CB 4.13Å; K495-I507 HydrophobicContact CG-CG1 4.4Å; K495-I507 PolarHBondContact O-N 2.88Å; R497-I507 HydrophobicContact CG-CD1 4.13Å; I507-H511 CarbonylContact C-O 3.41Å; I507-H511 VanDerWaalsContact CA-O 3.3Å; I507-H511 WeakPolarHBondContact CA-O 3.02Å; I507-A512 HydrophobicContact CD1-CB 3.53Å
508	Y	84.8	Confident	91.3	Very high	7 Å²	7	58.4 Å²	58.4	3%	0.027	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.3	175	-83	-96.1	0	0	0	110.1	L461 H494 V506 G510 H511 F513 I524 F533 I535 V537	L461-Y508 HydrophobicContact CB-CD1 4.36Å; L461-Y508 HydrophobicContact CB-CE1 4.08Å; L461-Y508 HydrophobicContact CD1-CD1 3.8Å; L461-Y508 HydrophobicContact CD1-CE1 3.99Å; H494-Y508 PolarHBondContact CD2-OH 2.04Å; H494-Y508 AromaticContact CE1-CZ 3.69Å; H494-Y508 PolarHBondContact CE1-OH 3.13Å; H494-Y508 AromaticContact ND1-CZ 3.62Å; H494-Y508 PolarHBondContact ND1-OH 2.85Å; H494-Y508 PolarHBondContact NE2-OH 3.25Å; V506-Y508 HydrophobicContact CB-CE2 4.41Å; V506-Y508 HydrophobicContact CG1-CD2 3.81Å; V506-Y508 HydrophobicContact CG1-CE2 3.45Å; V506-Y508 VanDerWaalsContact CG1-CE2 3.45Å; Y508-G510 PolarHBondContact O-N 3.49Å; Y508-H511 PolarHBondContact N-O 3.06Å; Y508-H511 WeakPolarHBondContact O-CA 3.27Å; Y508-H511 WeakPolarHBondContact O-CB 3.03Å; Y508-H511 PolarHBondContact O-N 3.41Å; Y508-F513 HydrophobicContact CD2-CD2 4.35Å; Y508-I524 HydrophobicContact CD2-CD1 3.38Å; Y508-I524 HydrophobicContact CD2-CG2 4.33Å; Y508-I524 HydrophobicContact CE2-CD1 3.34Å; Y508-I524 HydrophobicContact CG-CD1 4.27Å; Y508-I524 HydrophobicContact CG-CG2 4.2Å; Y508-F533 HydrophobicContact CE1-CE1 4.31Å; Y508-I535 HydrophobicContact CE1-CG2 4.15Å; Y508-I535 WeakPolarHBondContact OH-CD1 3.49Å; Y508-V537 HydrophobicContact CE2-CG2 4.31Å
509	H	79.8	Confident	91.2	Very high	97 Å²	97	57.7 Å²	57.7	45%	0.449	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.6	38.5	-177.6	-66.1	162.7	0	0	0	114.6	L461 H511 D526	L461-H509 VanDerWaalsContact CD2-NE2 3.28Å; L461-H509 WeakPolarHBondContact CD2-NE2 3.42Å; H509-H511 VanDerWaalsContact C-N 3.28Å; H509-H511 PolarHBondContact O-N 2.58Å; H509-H511 PolarHBondContact O-ND1 3.47Å; H509-D526 IonicContact CE1-OD2 2.87Å; H509-D526 IonicContact CG-OD2 2.69Å; H509-D526 IonicContact ND1-OD2 3.85Å; H509-D526 PolarHBondContact ND1-OD2 2.83Å
510	G	82.3	Confident	91.4	Very high	71 Å²	71	57.2 Å²	57.2	73%	0.732	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-6.6	-179.2	0	0	0	0	0	115.6	Y508	Y508-G510 PolarHBondContact O-N 3.49Å
511	H	88.8	Confident	91.6	Very high	117 Å²	117	53.5 Å²	53.5	54%	0.542	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	141.6	172.7	-58.1	98.9	0	0	0	110.9	I507 Y508 H509 F513	I507-H511 CarbonylContact C-O 3.41Å; I507-H511 VanDerWaalsContact CA-O 3.3Å; I507-H511 WeakPolarHBondContact CA-O 3.02Å; Y508-H511 PolarHBondContact N-O 3.06Å; Y508-H511 WeakPolarHBondContact O-CA 3.27Å; Y508-H511 WeakPolarHBondContact O-CB 3.03Å; Y508-H511 PolarHBondContact O-N 3.41Å; H509-H511 VanDerWaalsContact C-N 3.28Å; H509-H511 PolarHBondContact O-N 2.58Å; H509-H511 PolarHBondContact O-ND1 3.47Å; H511-F513 HydrophobicContact CB-CE2 3.7Å; H511-F513 HydrophobicContact CB-CZ 4.07Å
512	A	91.8	Very high	91.8	Very high	40 Å²	40	47 Å²	47	33%	0.331	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.2	179.5	0	0	0	0	0	110.7	R497 E505 I507	R497-A512 VanDerWaalsContact NH2-CB 3.34Å; E505-A512 HydrophobicContact CB-CB 4.3Å; I507-A512 HydrophobicContact CD1-CB 3.53Å
513	F	93.8	Very high	91.9	Very high	60 Å²	60	49.5 Å²	49.5	26%	0.263	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120	178.5	-62.3	-91.8	0	0	0	109.1	E505 V506 Y508 H511 C515 I522 I524	E505-F513 CarbonylContact C-O 3.59Å; E505-F513 VanDerWaalsContact CA-O 3.29Å; E505-F513 WeakPolarHBondContact CA-O 3.21Å; V506-F513 PolarHBondContact N-O 3.21Å; V506-F513 PolarHBondContact O-N 3.11Å; Y508-F513 HydrophobicContact CD2-CD2 4.35Å; H511-F513 HydrophobicContact CB-CE2 3.7Å; H511-F513 HydrophobicContact CB-CZ 4.07Å; F513-C515 PolarHBondContact O-N 3.26Å; F513-I522 HydrophobicContact CB-CD1 4.02Å; F513-I524 HydrophobicContact CB-CD1 3.86Å; F513-I524 HydrophobicContact CB-CG1 4.15Å; F513-I524 HydrophobicContact CD1-CD1 4.3Å; F513-I524 HydrophobicContact CD1-CG1 3.81Å; F513-I524 HydrophobicContact CD1-CG2 4.37Å; F513-I524 HydrophobicContact CD2-CD1 3.84Å; F513-I524 HydrophobicContact CD2-CG1 4.18Å; F513-I524 HydrophobicContact CD2-CG2 4.2Å; F513-I524 HydrophobicContact CE1-CB 4.49Å; F513-I524 HydrophobicContact CE1-CG1 4.25Å; F513-I524 HydrophobicContact CE1-CG2 3.98Å; F513-I524 HydrophobicContact CE2-CG2 3.82Å; F513-I524 HydrophobicContact CG-CD1 3.73Å; F513-I524 HydrophobicContact CG-CG1 3.77Å; F513-I524 HydrophobicContact CG-CG2 4.47Å; F513-I524 HydrophobicContact CZ-CG2 3.7Å
514	Q	95	Very high	91.8	Very high	100 Å²	100	49.7 Å²	49.7	47%	0.467	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	124.1	-175.1	-179.5	179.2	-1.3	0	0	111.1	F502	F502-Q514 HydrophobicContact CB-CG 4.1Å; F502-Q514 PolarHBondContact O-NE2 2.98Å; F502-Q514 VanDerWaalsContact O-NE2 3.13Å
515	C	95.6	Very high	91.5	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.014	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-75.6	145.4	168.5	-74.4	0	0	0	0	111.6	V504 F513 C539	V504-C515 HydrophobicContact CB-CB 3.95Å; V504-C515 HydrophobicContact CG1-CB 4.21Å; V504-C515 WeakPolarHBondContact O-CB 3.38Å; V504-C515 PolarHBondContact O-N 3.06Å; F513-C515 PolarHBondContact O-N 3.26Å; C515-C539 VanDerWaalsContact CA-SG 3.57Å; C515-C539 HydrophobicContact CB-CB 3.44Å; C515-C539 VanDerWaalsContact CB-CB 3.44Å; C515-C539 WeakPolarHBondContact CB-SG 3.47Å; C515-C539 WeakPolarHBondContact SG-CB 3.15Å; C515-C539 CovalentContact SG-SG 2.03Å; C515-C539 PolarHBondContact SG-SG 3Å
516	P	95.3	Very high	90.9	Very high	55 Å²	55	53.1 Å²	53.1	36%	0.357	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-57.8	138.7	166.4	-21.8	32.3	0	0	0	111.2	E518 G519 I522	P516-E518 VanDerWaalsContact C-N 3.31Å; P516-E518 PolarHBondContact O-N 3.28Å; P516-G519 PolarHBondContact O-N 2.55Å; P516-I522 HydrophobicContact CG-CG2 4.43Å
517	V	92.8	Very high	90.4	Very high	51 Å²	51	59.4 Å²	59.4	31%	0.309	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-39.8	-175.6	178.2	0	0	0	0	112	G519 C542 P551	V517-G519 PolarHBondContact O-N 3.4Å; V517-C542 HydrophobicContact CG1-CB 4.17Å; V517-C542 WeakPolarHBondContact O-CB 3.33Å; V517-C542 PolarHBondContact O-N 3.32Å; V517-P551 HydrophobicContact CG2-CB 4.35Å; V517-P551 HydrophobicContact CG2-CG 4.02Å
518	E	92.7	Very high	89.7	Confident	132 Å²	132	59.7 Å²	59.7	62%	0.617	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	8.7	177.2	-70.5	-56.7	133.9	0	0	114.2	P516 K541	P516-E518 VanDerWaalsContact C-N 3.31Å; P516-E518 PolarHBondContact O-N 3.28Å; E518-K541 WeakPolarHBondContact O-CG 3.3Å; E518-K541 IonicContact OE2-NZ 2.79Å; E518-K541 PolarHBondContact OE2-NZ 2.98Å
519	G	93.1	Very high	89.1	Confident	22 Å²	22	69.6 Å²	69.6	23%	0.227	39%	0.386	C	S	.	.			trans	79.1	166.7	-171.1	0	0	0	0	0	112.5	P516 V517 C539	P516-G519 PolarHBondContact O-N 2.55Å; V517-G519 PolarHBondContact O-N 3.4Å; G519-C539 VanDerWaalsContact CA-O 3.29Å; G519-C539 WeakPolarHBondContact CA-O 3.19Å
520	G	94.2	Very high	89.1	Confident	19 Å²	19	70.3 Å²	70.3	20%	0.196	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	144.8	179	-175.3	0	0	0	0	0	112.1	C539	G520-C539 PolarHBondContact N-O 3.42Å; G520-C539 VanDerWaalsContact N-O 3.08Å; G520-C539 WeakPolarHBondContact O-CA 3.24Å; G520-C539 VanDerWaalsContact O-CB 3.25Å; G520-C539 WeakPolarHBondContact O-CB 3.21Å; G520-C539 PolarHBondContact O-N 3.07Å
521	I	95	Very high	89.2	Confident	85 Å²	85	67.6 Å²	67.6	44%	0.436	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	134.5	-177.3	-58.6	170	0	0	0	109.8	E474 D536 V537	E474-I521 HydrophobicContact CG-CD1 3.93Å; E474-I521 HydrophobicContact CG-CG1 4.21Å; I521-D536 HydrophobicContact CG2-CB 3.88Å; I521-V537 WeakPolarHBondContact CA-O 3.41Å
522	I	94.5	Very high	89.1	Confident	20 Å²	20	68 Å²	68	10%	0.103	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	142.8	164.4	62	175.2	0	0	0	109.5	V506 F513 P516 I524 D536 V537	V506-I522 HydrophobicContact CB-CD1 4.45Å; V506-I522 HydrophobicContact CG2-CD1 4.16Å; F513-I522 HydrophobicContact CB-CD1 4.02Å; P516-I522 HydrophobicContact CG-CG2 4.43Å; I522-I524 HydrophobicContact CD1-CD1 3.93Å; I522-I524 HydrophobicContact CD1-CG1 4.35Å; I522-I524 HydrophobicContact CG1-CD1 4.37Å; I522-I524 HydrophobicContact CG1-CG1 4.43Å; I522-D536 CarbonylContact O-C 3.47Å; I522-D536 WeakPolarHBondContact O-CA 3.35Å; I522-V537 HydrophobicContact CD1-CB 4.41Å; I522-V537 HydrophobicContact CG1-CB 3.84Å; I522-V537 PolarHBondContact N-O 3.42Å; I522-V537 PolarHBondContact O-N 3.22Å
523	N	94.4	Very high	88.8	Confident	120 Å²	120	66.1 Å²	66.1	64%	0.642	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.1	178.3	-43.4	-84.3	0	0	0	108.1	D536	N523-D536 PolarHBondContact OD1-OD1 2.54Å
524	I	90.6	Very high	88.6	Confident	4 Å²	4	67.6 Å²	67.6	2%	0.021	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.5	179.9	-58.2	175.3	0	0	0	107.3	Y508 F513 I522 F534 I535 V537	Y508-I524 HydrophobicContact CD2-CD1 3.38Å; Y508-I524 HydrophobicContact CD2-CG2 4.33Å; Y508-I524 HydrophobicContact CE2-CD1 3.34Å; Y508-I524 HydrophobicContact CG-CD1 4.27Å; Y508-I524 HydrophobicContact CG-CG2 4.2Å; F513-I524 HydrophobicContact CB-CD1 3.86Å; F513-I524 HydrophobicContact CB-CG1 4.15Å; F513-I524 HydrophobicContact CD1-CD1 4.3Å; F513-I524 HydrophobicContact CD1-CG1 3.81Å; F513-I524 HydrophobicContact CD1-CG2 4.37Å; F513-I524 HydrophobicContact CD2-CD1 3.84Å; F513-I524 HydrophobicContact CD2-CG1 4.18Å; F513-I524 HydrophobicContact CD2-CG2 4.2Å; F513-I524 HydrophobicContact CE1-CB 4.49Å; F513-I524 HydrophobicContact CE1-CG1 4.25Å; F513-I524 HydrophobicContact CE1-CG2 3.98Å; F513-I524 HydrophobicContact CE2-CG2 3.82Å; F513-I524 HydrophobicContact CG-CD1 3.73Å; F513-I524 HydrophobicContact CG-CG1 3.77Å; F513-I524 HydrophobicContact CG-CG2 4.47Å; F513-I524 HydrophobicContact CZ-CG2 3.7Å; I522-I524 HydrophobicContact CD1-CD1 3.93Å; I522-I524 HydrophobicContact CD1-CG1 4.35Å; I522-I524 HydrophobicContact CG1-CD1 4.37Å; I522-I524 HydrophobicContact CG1-CG1 4.43Å; I524-F534 CarbonylContact O-C 3.5Å; I524-F534 VanDerWaalsContact O-CA 3.31Å; I524-F534 WeakPolarHBondContact O-CA 3.37Å; I524-I535 HydrophobicContact CB-CG2 3.69Å; I524-I535 HydrophobicContact CG1-CG2 4.49Å; I524-I535 HydrophobicContact CG2-CG2 4.28Å; I524-I535 PolarHBondContact N-O 3.33Å; I524-I535 PolarHBondContact O-N 2.87Å; I524-V537 HydrophobicContact CD1-CG2 4.16Å
525	G	88.6	Confident	88.4	Confident	45 Å²	45	62.8 Å²	62.8	46%	0.464	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.7	174.9	0	0	0	0	0	109.8	F533	G525-F533 CarbonylContact C-O 3.18Å; G525-F533 VanDerWaalsContact CA-O 3.3Å; G525-F533 WeakPolarHBondContact CA-O 3.29Å
526	D	83.6	Confident	88.3	Confident	39 Å²	39	65 Å²	65	21%	0.209	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	157.3	177.5	-150.1	-15.9	0	0	0	112.2	H509 F533	H509-D526 IonicContact CE1-OD2 2.87Å; H509-D526 IonicContact CG-OD2 2.69Å; H509-D526 IonicContact ND1-OD2 3.85Å; H509-D526 PolarHBondContact ND1-OD2 2.83Å; D526-F533 PolarHBondContact N-O 2.87Å; D526-F533 PolarHBondContact O-N 2.83Å
527	Q	81.4	Confident	88.1	Confident	132 Å²	132	62.3 Å²	62.3	62%	0.617	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	116	174.8	-173.4	176.8	-5.6	0	0	109.7	Y532	Q527-Y532 HydrophobicContact CB-CD1 4.32Å; Q527-Y532 HydrophobicContact CB-CE1 4.29Å; Q527-Y532 HydrophobicContact CG-CD1 4.32Å; Q527-Y532 HydrophobicContact CG-CE1 4.05Å
528	L	75.8	Confident	88.2	Confident	36 Å²	36	62.9 Å²	62.9	19%	0.188	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	164.1	170.6	-65.6	173.7	0	0	0	110.1	L461 Y478 D530 G531 F533	L461-L528 HydrophobicContact CD2-CD2 4.49Å; Y478-L528 HydrophobicContact CD2-CD1 3.91Å; Y478-L528 HydrophobicContact CE2-CB 4.41Å; Y478-L528 HydrophobicContact CE2-CD1 3.7Å; L528-D530 PolarHBondContact O-N 2.82Å; L528-D530 VanDerWaalsContact O-N 3.08Å; L528-G531 PolarHBondContact N-O 2.85Å; L528-G531 PolarHBondContact O-N 2.84Å; L528-F533 HydrophobicContact CD1-CB 3.82Å; L528-F533 HydrophobicContact CD1-CD2 4.44Å; L528-F533 HydrophobicContact CD1-CG 4.39Å; L528-F533 HydrophobicContact CG-CB 4.17Å
529	K	72.7	Confident	88.2	Confident	214 Å²	214	56.7 Å²	56.7	93%	0.93	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-40	-177.4	-72.2	-179.1	-178.9	171	0	113.3
530	D	79.4	Confident	88.1	Confident	113 Å²	113	57.6 Å²	57.6	60%	0.604	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	15.2	-175.4	-56.9	-29.9	0	0	0	113.6	N480 L528	N480-D530 VanDerWaalsContact CB-O 3.28Å; N480-D530 WeakPolarHBondContact CB-O 2.94Å; N480-D530 PolarHBondContact ND2-O 3.15Å; N480-D530 VanDerWaalsContact ND2-O 3.09Å; N480-D530 PolarHBondContact OD1-O 2.96Å; L528-D530 PolarHBondContact O-N 2.82Å; L528-D530 VanDerWaalsContact O-N 3.08Å
531	G	83.9	Confident	88	Confident	13 Å²	13	61.9 Å²	61.9	13%	0.134	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.5	-173.6	-177.2	0	0	0	0	0	116.5	V479 L528	V479-G531 CarbonylContact O-C 3.25Å; V479-G531 WeakPolarHBondContact O-CA 3.32Å; L528-G531 PolarHBondContact N-O 2.85Å; L528-G531 PolarHBondContact O-N 2.84Å
532	Y	86.9	Confident	87.9	Confident	127 Å²	127	57.9 Å²	57.9	50%	0.498	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	136.6	174.4	-62.6	-82.8	0	0	0	110.5	V479 Q527	V479-Y532 PolarHBondContact N-O 3.46Å; V479-Y532 PolarHBondContact O-N 3.28Å; Q527-Y532 HydrophobicContact CB-CD1 4.32Å; Q527-Y532 HydrophobicContact CB-CE1 4.29Å; Q527-Y532 HydrophobicContact CG-CD1 4.32Å; Q527-Y532 HydrophobicContact CG-CE1 4.05Å
533	F	86.2	Confident	87.7	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.4	178.3	176.1	-95.5	0	0	0	109.6	L461 I476 K477 Y508 G525 D526 L528 I535	L461-F533 HydrophobicContact CD1-CD1 3.92Å; L461-F533 HydrophobicContact CD1-CE1 3.71Å; L461-F533 HydrophobicContact CD1-CG 4.44Å; L461-F533 HydrophobicContact CD1-CZ 4.06Å; I476-F533 HydrophobicContact CG2-CD2 4.2Å; I476-F533 HydrophobicContact CG2-CE2 3.3Å; I476-F533 HydrophobicContact CG2-CZ 3.8Å; K477-F533 CarbonylContact O-C 3.54Å; K477-F533 WeakPolarHBondContact O-CA 3.09Å; Y508-F533 HydrophobicContact CE1-CE1 4.31Å; G525-F533 CarbonylContact C-O 3.18Å; G525-F533 VanDerWaalsContact CA-O 3.3Å; G525-F533 WeakPolarHBondContact CA-O 3.29Å; D526-F533 PolarHBondContact N-O 2.87Å; D526-F533 PolarHBondContact O-N 2.83Å; L528-F533 HydrophobicContact CD1-CB 3.82Å; L528-F533 HydrophobicContact CD1-CD2 4.44Å; L528-F533 HydrophobicContact CD1-CG 4.39Å; L528-F533 HydrophobicContact CG-CB 4.17Å; F533-I535 HydrophobicContact CD1-CG2 4.37Å; F533-I535 HydrophobicContact CE1-CB 3.55Å; F533-I535 HydrophobicContact CE1-CG2 3.43Å; F533-I535 VanDerWaalsContact CE1-CG2 3.43Å; F533-I535 HydrophobicContact CZ-CB 3.69Å; F533-I535 HydrophobicContact CZ-CD1 4.07Å; F533-I535 HydrophobicContact CZ-CG1 4.41Å; F533-I535 HydrophobicContact CZ-CG2 4.03Å
534	F	89.9	Confident	87.4	Confident	90 Å²	90	58.4 Å²	58.4	40%	0.395	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	132.8	173	-54.3	-89.7	0	0	0	108.8	K477 I524	K477-F534 HydrophobicContact CB-CB 4.3Å; K477-F534 HydrophobicContact CD-CD2 4.37Å; K477-F534 HydrophobicContact CG-CD2 4.49Å; K477-F534 PolarHBondContact N-O 3Å; K477-F534 PolarHBondContact O-N 2.62Å; I524-F534 CarbonylContact O-C 3.5Å; I524-F534 VanDerWaalsContact O-CA 3.31Å; I524-F534 WeakPolarHBondContact O-CA 3.37Å
535	I	89.8	Confident	87.3	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	134.5	176.4	-172.2	167.9	0	0	0	111	D473 T475 I476 Y508 I524 F533 V537	D473-I535 HydrophobicContact CB-CD1 3.96Å; D473-I535 HydrophobicContact CB-CG1 4.12Å; D473-I535 WeakPolarHBondContact OD1-CD1 3.17Å; D473-I535 WeakPolarHBondContact OD2-CD1 3.47Å; T475-I535 CarbonylContact O-C 3.5Å; T475-I535 WeakPolarHBondContact O-CA 3.34Å; I476-I535 HydrophobicContact CD1-CD1 4.35Å; I476-I535 HydrophobicContact CG1-CD1 3.92Å; I476-I535 HydrophobicContact CG1-CG1 3.97Å; Y508-I535 HydrophobicContact CE1-CG2 4.15Å; Y508-I535 WeakPolarHBondContact OH-CD1 3.49Å; I524-I535 HydrophobicContact CB-CG2 3.69Å; I524-I535 HydrophobicContact CG1-CG2 4.49Å; I524-I535 HydrophobicContact CG2-CG2 4.28Å; I524-I535 PolarHBondContact N-O 3.33Å; I524-I535 PolarHBondContact O-N 2.87Å; F533-I535 HydrophobicContact CD1-CG2 4.37Å; F533-I535 HydrophobicContact CE1-CB 3.55Å; F533-I535 HydrophobicContact CE1-CG2 3.43Å; F533-I535 VanDerWaalsContact CE1-CG2 3.43Å; F533-I535 HydrophobicContact CZ-CB 3.69Å; F533-I535 HydrophobicContact CZ-CD1 4.07Å; F533-I535 HydrophobicContact CZ-CG1 4.41Å; F533-I535 HydrophobicContact CZ-CG2 4.03Å; I535-V537 HydrophobicContact CD1-CG2 4.02Å; I535-V537 HydrophobicContact CG1-CG2 3.85Å; I535-V537 HydrophobicContact CG2-CG2 4.04Å
536	D	92.8	Very high	87.5	Confident	47 Å²	47	58.8 Å²	58.8	25%	0.251	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	101.9	172.8	-64.6	-10	0	0	0	107.5	D473 E474 T475 I521 I522 N523	D473-D536 CarbonylContact C-O 3.55Å; D473-D536 WeakPolarHBondContact CA-O 3.41Å; E474-D536 HydrophobicContact CB-CB 4.07Å; E474-D536 PolarHBondContact N-O 3.01Å; T475-D536 PolarHBondContact O-N 3.37Å; I521-D536 HydrophobicContact CG2-CB 3.88Å; I522-D536 CarbonylContact O-C 3.47Å; I522-D536 WeakPolarHBondContact O-CA 3.35Å; N523-D536 PolarHBondContact OD1-OD1 2.54Å
537	V	92.1	Very high	87.6	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	121	-175.4	-177.1	0	0	0	0	109.4	F471 Y508 I521 I522 I524 I535 C539	F471-V537 HydrophobicContact CB-CG1 3.9Å; F471-V537 HydrophobicContact CD1-CG1 3.86Å; F471-V537 HydrophobicContact CG-CG1 4.04Å; Y508-V537 HydrophobicContact CE2-CG2 4.31Å; I521-V537 WeakPolarHBondContact CA-O 3.41Å; I522-V537 HydrophobicContact CD1-CB 4.41Å; I522-V537 HydrophobicContact CG1-CB 3.84Å; I522-V537 PolarHBondContact N-O 3.42Å; I522-V537 PolarHBondContact O-N 3.22Å; I524-V537 HydrophobicContact CD1-CG2 4.16Å; I535-V537 HydrophobicContact CD1-CG2 4.02Å; I535-V537 HydrophobicContact CG1-CG2 3.85Å; I535-V537 HydrophobicContact CG2-CG2 4.04Å; V537-C539 PolarHBondContact O-N 2.92Å; V537-C539 VanDerWaalsContact O-N 3.13Å
538	Q	93.9	Very high	87.8	Confident	63 Å²	63	63.9 Å²	63.9	29%	0.294	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	96.8	170.8	-176.4	58.3	54.7	0	0	109.3	M472 E474	M472-Q538 HydrophobicContact CB-CB 4.24Å; M472-Q538 WeakPolarHBondContact O-CA 3.09Å; M472-Q538 WeakPolarHBondContact O-CB 3.38Å; M472-Q538 PolarHBondContact O-N 2.91Å; E474-Q538 HydrophobicContact CG-CB 4.29Å
539	C	93.3	Very high	88.4	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.007	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	134	174	-66.7	0	0	0	0	110.9	C515 G519 G520 V537	C515-C539 VanDerWaalsContact CA-SG 3.57Å; C515-C539 HydrophobicContact CB-CB 3.44Å; C515-C539 VanDerWaalsContact CB-CB 3.44Å; C515-C539 WeakPolarHBondContact CB-SG 3.47Å; C515-C539 WeakPolarHBondContact SG-CB 3.15Å; C515-C539 CovalentContact SG-SG 2.03Å; C515-C539 PolarHBondContact SG-SG 3Å; G519-C539 VanDerWaalsContact CA-O 3.29Å; G519-C539 WeakPolarHBondContact CA-O 3.19Å; G520-C539 PolarHBondContact N-O 3.42Å; G520-C539 VanDerWaalsContact N-O 3.08Å; G520-C539 WeakPolarHBondContact O-CA 3.24Å; G520-C539 VanDerWaalsContact O-CB 3.25Å; G520-C539 WeakPolarHBondContact O-CB 3.21Å; G520-C539 PolarHBondContact O-N 3.07Å; V537-C539 PolarHBondContact O-N 2.92Å; V537-C539 VanDerWaalsContact O-N 3.13Å
540	P	91.3	Very high	89.1	Confident	41 Å²	41	58.5 Å²	58.5	27%	0.266	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-76.1	169.4	169.9	36.3	-37	0	0	0	110.2	F471 C542 S544 L545	F471-P540 HydrophobicContact CE1-CG 4.38Å; P540-C542 PolarHBondContact O-N 2.94Å; P540-S544 WeakPolarHBondContact CB-OG 3.32Å; P540-L545 HydrophobicContact CG-CD1 3.64Å; P540-L545 HydrophobicContact CG-CG 3.96Å
541	K	91.9	Very high	89.5	Confident	109 Å²	109	54.8 Å²	54.8	47%	0.474	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-55.5	138	170.4	-72.2	-172.3	175.4	-129.2	0	110.3	E518 T543 S544	E518-K541 WeakPolarHBondContact O-CG 3.3Å; E518-K541 IonicContact OE2-NZ 2.79Å; E518-K541 PolarHBondContact OE2-NZ 2.98Å; K541-T543 PolarHBondContact O-N 3.14Å; K541-T543 VanDerWaalsContact O-N 3.12Å; K541-S544 WeakPolarHBondContact O-CB 3.45Å; K541-S544 PolarHBondContact O-N 3.32Å; K541-S544 PolarHBondContact O-OG 2.95Å
542	C	93.2	Very high	89.4	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.007	33%	0.33	C	S	.	.	H	α-helix	trans	-53.8	-41	-176.5	175.1	0	0	0	0	112.7	G503 V504 V517 P540 S544 L545 C546 C550	G503-C542 WeakPolarHBondContact CA-SG 3.43Å; V504-C542 HydrophobicContact CG2-CB 4.34Å; V517-C542 HydrophobicContact CG1-CB 4.17Å; V517-C542 WeakPolarHBondContact O-CB 3.33Å; V517-C542 PolarHBondContact O-N 3.32Å; P540-C542 PolarHBondContact O-N 2.94Å; C542-S544 PolarHBondContact O-N 3.27Å; C542-S544 VanDerWaalsContact O-N 3.16Å; C542-L545 PolarHBondContact O-N 2.73Å; C542-C546 WeakPolarHBondContact O-CB 2.99Å; C542-C546 PolarHBondContact O-N 3.47Å; C542-C550 HydrophobicContact CB-CB 3.93Å; C542-C550 WeakPolarHBondContact CB-SG 3.12Å; C542-C550 PolarHBondContact O-SG 2.97Å; C542-C550 VanDerWaalsContact O-SG 3.36Å; C542-C550 WeakPolarHBondContact SG-CA 3.13Å; C542-C550 WeakPolarHBondContact SG-CB 3.5Å; C542-C550 CovalentContact SG-SG 2.04Å; C542-C550 PolarHBondContact SG-SG 3.41Å
543	T	90.8	Very high	89.5	Confident	92 Å²	92	64.6 Å²	64.6	56%	0.564	32%	0.322	S	S	*	.	H	α-helix	trans	-61.9	-24.3	-178.1	50	0	0	0	0	113.5	K541 K547 C550	K541-T543 PolarHBondContact O-N 3.14Å; K541-T543 VanDerWaalsContact O-N 3.12Å; T543-K547 PolarHBondContact O-N 3.38Å; T543-C550 PolarHBondContact N-SG 3.12Å
544	S	87.9	Confident	89.7	Confident	59 Å²	59	67.9 Å²	67.9	41%	0.413	34%	0.339	S	S	.	.	H	α-helix	trans	-68.9	-32.9	179	70.2	0	0	0	0	113.4	P540 K541 C542	P540-S544 WeakPolarHBondContact CB-OG 3.32Å; K541-S544 WeakPolarHBondContact O-CB 3.45Å; K541-S544 PolarHBondContact O-N 3.32Å; K541-S544 PolarHBondContact O-OG 2.95Å; C542-S544 PolarHBondContact O-N 3.27Å; C542-S544 VanDerWaalsContact O-N 3.16Å
545	L	89	Confident	89.6	Confident	49 Å²	49	66.7 Å²	66.7	26%	0.257	34%	0.336	S	S	.	.	H	α-helix	trans	-104.5	-41.6	179.5	-66.9	179.4	0	0	0	112	A469 F471 F496 V504 P540 C542	A469-L545 HydrophobicContact CB-CD1 4.32Å; A469-L545 HydrophobicContact CB-CD2 3.86Å; F471-L545 HydrophobicContact CE1-CD1 4.07Å; F471-L545 HydrophobicContact CZ-CD1 3.84Å; F496-L545 HydrophobicContact CD2-CD1 4.32Å; F496-L545 HydrophobicContact CE2-CB 3.98Å; F496-L545 HydrophobicContact CE2-CD1 4.33Å; F496-L545 HydrophobicContact CZ-CB 4.47Å; V504-L545 HydrophobicContact CG1-CD1 4.15Å; V504-L545 HydrophobicContact CG2-CB 4.13Å; V504-L545 HydrophobicContact CG2-CD1 4.18Å; P540-L545 HydrophobicContact CG-CD1 3.64Å; P540-L545 HydrophobicContact CG-CG 3.96Å; C542-L545 PolarHBondContact O-N 2.73Å
546	C	91.1	Very high	89.6	Confident	8 Å²	8	70.6 Å²	70.6	5%	0.054	36%	0.356	C	S	.	.	H	α-helix	trans	-100.8	-4	-168	-65.5	0	0	0	0	114.8	C498 V504 C542 D548 K549	C498-C546 VanDerWaalsContact CA-SG 3.57Å; C498-C546 HydrophobicContact CB-CB 3.72Å; C498-C546 WeakPolarHBondContact CB-SG 3.37Å; C498-C546 WeakPolarHBondContact SG-CA 3.49Å; C498-C546 WeakPolarHBondContact SG-CB 3.33Å; C498-C546 CovalentContact SG-SG 2.03Å; C498-C546 PolarHBondContact SG-SG 2.99Å; V504-C546 WeakPolarHBondContact CG2-SG 3.41Å; C542-C546 WeakPolarHBondContact O-CB 2.99Å; C542-C546 PolarHBondContact O-N 3.47Å; C546-D548 PolarHBondContact O-N 3.49Å; C546-K549 HydrophobicContact CB-CB 4.16Å; C546-K549 WeakPolarHBondContact O-CB 3.5Å; C546-K549 PolarHBondContact O-N 2.66Å
547	K	86.8	Confident	89.4	Confident	123 Å²	123	72.1 Å²	72.1	54%	0.535	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	47.8	-112.6	-178	-58.7	-177.7	177.1	-173.1	0	110.3	D338 T543 K549	D338-K547 IonicContact OD2-NZ 3.6Å; D338-K547 PolarHBondContact OD2-NZ 3.42Å; T543-K547 PolarHBondContact O-N 3.38Å; K547-K549 VanDerWaalsContact C-N 3.33Å; K547-K549 PolarHBondContact O-N 3.3Å
548	D	85.6	Confident	89.3	Confident	156 Å²	156	76.9 Å²	76.9	83%	0.834	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-83.8	1	-176.7	-53.7	-37.4	0	0	0	115	C546 C550	C546-D548 PolarHBondContact O-N 3.49Å; D548-C550 VanDerWaalsContact C-N 3.26Å; D548-C550 PolarHBondContact O-N 2.99Å
549	K	87.1	Confident	88.9	Confident	116 Å²	116	77.9 Å²	77.9	50%	0.504	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-90.1	20.3	179.4	-64.6	-179.3	-179.2	175.3	0	113.2	C498 S499 K500 C546 K547	C498-K549 HydrophobicContact CB-CB 4.07Å; C498-K549 HydrophobicContact CB-CD 3.87Å; S499-K549 CarbonylContact C-O 3.56Å; S499-K549 VanDerWaalsContact C-O 3.25Å; K500-K549 WeakPolarHBondContact CA-O 3.39Å; K500-K549 PolarHBondContact N-O 2.79Å; C546-K549 HydrophobicContact CB-CB 4.16Å; C546-K549 WeakPolarHBondContact O-CB 3.5Å; C546-K549 PolarHBondContact O-N 2.66Å; K547-K549 VanDerWaalsContact C-N 3.33Å; K547-K549 PolarHBondContact O-N 3.3Å
550	C	89.1	Confident	88.6	Confident	21 Å²	21	83.8 Å²	83.8	14%	0.142	42%	0.423	C	S	.	.	S	Bend	trans	-91.3	146.8	177.9	-62.4	0	0	0	0	112.1	C542 T543 D548	C542-C550 HydrophobicContact CB-CB 3.93Å; C542-C550 WeakPolarHBondContact CB-SG 3.12Å; C542-C550 PolarHBondContact O-SG 2.97Å; C542-C550 VanDerWaalsContact O-SG 3.36Å; C542-C550 WeakPolarHBondContact SG-CA 3.13Å; C542-C550 WeakPolarHBondContact SG-CB 3.5Å; C542-C550 CovalentContact SG-SG 2.04Å; C542-C550 PolarHBondContact SG-SG 3.41Å; T543-C550 PolarHBondContact N-SG 3.12Å; D548-C550 VanDerWaalsContact C-N 3.26Å; D548-C550 PolarHBondContact O-N 2.99Å
551	P	86.9	Confident	88.4	Confident	35 Å²	35	87.4 Å²	87.4	23%	0.227	44%	0.436	C	S	.	.			trans	-56.4	143.2	165.1	-20.2	32.2	0	0	0	109.8	K501 V517	K501-P551 WeakPolarHBondContact O-CG 3.32Å; V517-P551 HydrophobicContact CG2-CB 4.35Å; V517-P551 HydrophobicContact CG2-CG 4.02Å
552	K	81	Confident	88	Confident	280 Å²	280	85.5 Å²	85.5	100%	1.217	43%	0.432	S	S	*	.			trans	-78.9	0	177	-74	-169.6	177.3	-173.6	0	112.2

Retrieved 552 of 552 residues in 188.4 ms (Link to these results)

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