A0A3Q0KD49_SCHMA Loading...

Glucan 1,4-alpha-glucosidase

AlphaFold DB , UniProt , Accession A0A3Q0KD49, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 899 aa.

						>A0A3Q0KD49_SCHMA|A0A3Q0KD49
MQTIIVLFTLFLINTFKCAESYPQCSNITNVQRLDCYPNVGSNEGVCIERGCCWVPESGHDGLPYCYFPKDYSAYVVVSAEKTEHGFIGQLSKPSPTYYLDEIKSIAVEIREETSTRLRIRFTVPSQPDRWEPPIPLGKVDDARVKDVQYKVDMEKSPFGLKIMRNTEEQDVLLDSTGQLASSLIFSNQFLQISFRVNAQVSFGPGEIEQKYPNTFDTWMRAALWGHDGNPQSYANLYGTHNFFMGLKYGGTAFGIFFLNSNAQEVAITPLPAITYRTIGGILDFFVFTGPKPLDVINQYYDLIGHPPIPPYWSLGFHICRYGMKNLDEAKEVLKRNVDAGIPIDAQWFDIDYMDAYKIWSVDTKRFGGIDVYVRDVLRKKYSVRTVLIIDPAVSTKGGTGYRPYEDGMRHGIFINDSRTGTPILGTVWPGETVFPDFSHPSAEDWWFKSASDFHKVINFDGLWIDMNEPANFNSGSLSGCPSSNTLDNPPYVPKILGNSLYDKTICPSALHYNTTHYNMHNIYGYDMARVTHNVLTRMFPDKRPFILTRSSFAGSGLYAAHWTGDVLSNWDSLKTSVVQIINFNMFGIPMVGADICGFTGNTTEELCIRWSQLGAFYPFSRNHNEDEAMDQDPAYWSKEATEAIKESLKLRYHLLPYIYTLFYRSYLNGTTVARALAFEFPEDLATHKVNAQFMLGSCILVTPVLDEGRTFVEGYVPSGEWINLSSGKRYFSRGTWKYFDAPLNVIPISIRCGCIIPMQVSAETTDIARKKGFGLFVILSSTDDGSDAAGKRITASGELFWDNGDDGNLNYVHVKFEVRDRTLTVTSTPSSVGSLEKIDLKELDVKTILIVGFIKKPTEILVNNKPVDFMFDNDLETSQIKNQSLLTLSKQFIIKWKF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	43	Very low	40.1	Very low	221 Å²	221	133.9 Å²	133.9	100%	1.089	68%	0.682	S	S	*	*				0	23.6	0	-149.5	170.2	172.4	0	0	112.9
2	Q	40.8	Very low	39.4	Very low	174 Å²	174	130.8 Å²	130.8	81%	0.813	67%	0.668	S	S	*	*			trans	-119.8	-1.9	175.7	-87.5	175	-28.6	0	0	113
3	T	43.7	Very low	39	Very low	118 Å²	118	129.2 Å²	129.2	72%	0.724	66%	0.66	S	S	*	*	S	Bend	trans	-97.7	-6.3	-177.5	-23.7	0	0	0	0	113.4
4	I	43	Very low	38.6	Very low	129 Å²	129	128.8 Å²	128.8	66%	0.662	66%	0.66	S	S	*	*	S	Bend	trans	-92.9	-15.8	-178.9	-66.4	175.3	0	0	0	112.1
5	I	43.7	Very low	38.2	Very low	122 Å²	122	124.8 Å²	124.8	63%	0.626	64%	0.644	S	S	*	*	H	α-helix	trans	-85.7	-19.2	-176	-62.9	178.3	0	0	0	112.7	T9	I5-T9 PolarHBondContact O-OG1 2.64Å
6	V	43	Very low	37.8	Very low	90 Å²	90	127.2 Å²	127.2	55%	0.545	65%	0.648	S	S	.	*	H	α-helix	trans	-84.9	-24.4	-179.2	-177.5	0	0	0	0	112.6	T9	V6-T9 PolarHBondContact O-OG1 3.14Å
7	L	37.2	Very low	37.7	Very low	131 Å²	131	130.4 Å²	130.4	69%	0.686	66%	0.657	S	S	*	*	H	α-helix	trans	-81.4	-25.9	176.4	-88.4	148.9	0	0	0	113.1	F11	L7-F11 PolarHBondContact O-N 2.78Å
8	F	38.4	Very low	37.4	Very low	149 Å²	149	128.5 Å²	128.5	65%	0.654	66%	0.657	S	S	*	*	H	α-helix	trans	-78.1	-25.1	175.2	-110.1	-90.2	0	0	0	113.5	L12	F8-L12 PolarHBondContact O-N 2.79Å
9	T	38.4	Very low	37.6	Very low	75 Å²	75	125.7 Å²	125.7	46%	0.46	66%	0.655	S	S	.	*	H	α-helix	trans	-80.3	-28.8	176	26.8	0	0	0	0	112.7	I5 V6 I13	I5-T9 PolarHBondContact O-OG1 2.64Å; V6-T9 PolarHBondContact O-OG1 3.14Å; T9-I13 VanDerWaalsContact O-CD1 3.3Å; T9-I13 WeakPolarHBondContact O-CD1 3.48Å; T9-I13 WeakPolarHBondContact O-CG1 3.49Å; T9-I13 PolarHBondContact O-N 3.43Å
10	L	34.6	Very low	37.8	Very low	108 Å²	108	128 Å²	128	57%	0.565	66%	0.662	S	S	*	*	H	α-helix	trans	-77.5	-26.1	172.2	-89.1	149.3	0	0	0	113.5	N14	L10-N14 PolarHBondContact O-N 2.87Å
11	F	35.2	Very low	38.4	Very low	156 Å²	156	125.9 Å²	125.9	68%	0.684	66%	0.659	S	S	*	*	H	α-helix	trans	-75	-37.3	173.1	-136.4	-94.8	0	0	0	112	L7 N14 T15	L7-F11 PolarHBondContact O-N 2.78Å; F11-N14 PolarHBondContact O-N 3.32Å; F11-T15 HydrophobicContact CD1-CG2 4.26Å; F11-T15 HydrophobicContact CE1-CG2 4.43Å; F11-T15 WeakPolarHBondContact O-CG2 3.21Å; F11-T15 PolarHBondContact O-N 3.47Å; F11-T15 VanDerWaalsContact O-N 3.08Å; F11-T15 PolarHBondContact O-OG1 3.34Å; F11-T15 VanDerWaalsContact O-OG1 3.08Å
12	L	31.9	Very low	39.1	Very low	96 Å²	96	120.2 Å²	120.2	50%	0.503	63%	0.626	S	S	.	*	H	α-helix	trans	-73.8	-24.5	176.1	-84	158	0	0	0	114.1	F8 F16	F8-L12 PolarHBondContact O-N 2.79Å; L12-F16 PolarHBondContact O-N 3.4Å
13	I	34.6	Very low	40.6	Very low	110 Å²	110	116.8 Å²	116.8	56%	0.564	62%	0.619	S	S	*	*	H	α-helix	trans	-80.4	-23.9	174.4	-66.4	166.5	0	0	0	111.7	T9	T9-I13 VanDerWaalsContact O-CD1 3.3Å; T9-I13 WeakPolarHBondContact O-CD1 3.48Å; T9-I13 WeakPolarHBondContact O-CG1 3.49Å; T9-I13 PolarHBondContact O-N 3.43Å
14	N	33.1	Very low	42.3	Very low	124 Å²	124	114.3 Å²	114.3	66%	0.663	60%	0.599	S	S	*	*	H	α-helix	trans	-91.6	-15.8	174.1	-91.2	-8.8	0	0	0	114.4	L10 F11	L10-N14 PolarHBondContact O-N 2.87Å; F11-N14 PolarHBondContact O-N 3.32Å
15	T	32.7	Very low	44.2	Very low	69 Å²	69	109.1 Å²	109.1	42%	0.423	57%	0.574	S	S	.	*	S	Bend	trans	-93.1	-2.5	170.8	57.4	0	0	0	0	113.6	F11	F11-T15 HydrophobicContact CD1-CG2 4.26Å; F11-T15 HydrophobicContact CE1-CG2 4.43Å; F11-T15 WeakPolarHBondContact O-CG2 3.21Å; F11-T15 PolarHBondContact O-N 3.47Å; F11-T15 VanDerWaalsContact O-N 3.08Å; F11-T15 PolarHBondContact O-OG1 3.34Å; F11-T15 VanDerWaalsContact O-OG1 3.08Å
16	F	31.8	Very low	45.8	Very low	163 Å²	163	105.8 Å²	105.8	72%	0.715	56%	0.562	S	S	*	*			trans	-122.3	23.4	173.6	-88.1	-81.1	0	0	0	113.8	L12 C18	L12-F16 PolarHBondContact O-N 3.4Å; F16-C18 PolarHBondContact O-N 3.49Å
17	K	35.3	Very low	47.7	Very low	181 Å²	181	107.9 Å²	107.9	79%	0.787	57%	0.569	S	S	*	*			trans	-82.1	48.5	143	-79.2	-171.6	173.6	-173.9	0	109.2	A19	K17-A19 PolarHBondContact O-N 2.76Å
18	C	32.9	Very low	50.1	Low	97 Å²	97	102.3 Å²	102.3	66%	0.655	54%	0.54	S	S	*	.			trans	-75.3	111.1	165.3	-86.7	0	0	0	0	106.4	F16	F16-C18 PolarHBondContact O-N 3.49Å
19	A	41.2	Very low	52.6	Low	76 Å²	76	98.9 Å²	98.9	63%	0.628	53%	0.532	S	S	*	.			trans	46.7	100.6	164.7	0	0	0	0	0	114.3	K17 S21	K17-A19 PolarHBondContact O-N 2.76Å; A19-S21 PolarHBondContact O-N 2.66Å
20	E	41.1	Very low	55.1	Low	170 Å²	170	97.5 Å²	97.5	79%	0.794	52%	0.522	S	S	*	.			trans	-57.6	88.9	136.4	-82	-175.7	169.6	0	0	105.6	Y22	E20-Y22 WeakPolarHBondContact O-CD2 3.33Å; E20-Y22 PolarHBondContact O-N 2.96Å
21	S	50.1	Low	57.8	Low	85 Å²	85	95.4 Å²	95.4	59%	0.594	51%	0.513	S	S	*	.			trans	-70.9	85.1	175	68.4	0	0	0	0	105.3	A19 P23	A19-S21 PolarHBondContact O-N 2.66Å; S21-P23 WeakPolarHBondContact O-CD 3.32Å; S21-P23 VanDerWaalsContact O-N 3.08Å
22	Y	58.9	Low	60.5	Low	101 Å²	101	91 Å²	91	40%	0.396	50%	0.495	S	S	.	.			trans	-40.4	117.5	160.8	-81.2	-68.8	0	0	0	107.4	E20 Q24 C25	E20-Y22 WeakPolarHBondContact O-CD2 3.33Å; E20-Y22 PolarHBondContact O-N 2.96Å; Y22-Q24 VanDerWaalsContact C-OE1 3.31Å; Y22-Q24 VanDerWaalsContact CB-CD 3.5Å; Y22-Q24 PolarHBondContact O-N 3.29Å; Y22-C25 WeakPolarHBondContact O-CA 3.29Å; Y22-C25 WeakPolarHBondContact O-CB 3.36Å; Y22-C25 PolarHBondContact O-N 3.1Å
23	P	71.6	Confident	63.4	Low	102 Å²	102	87 Å²	87	66%	0.662	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-51	-31.8	-173.7	-28.8	34	0	0	0	112.7	S21 C25 S26	S21-P23 WeakPolarHBondContact O-CD 3.32Å; S21-P23 VanDerWaalsContact O-N 3.08Å; P23-C25 VanDerWaalsContact C-N 3.28Å; P23-C25 PolarHBondContact O-N 2.94Å; P23-S26 WeakPolarHBondContact O-CB 3.25Å; P23-S26 PolarHBondContact O-N 3.12Å; P23-S26 PolarHBondContact O-OG 3.36Å
24	Q	79.1	Confident	66.2	Low	67 Å²	67	82 Å²	82	31%	0.313	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-67.5	-20.4	176.2	67.2	-87.7	29.9	0	0	115.6	Y22 P69 D71	Y22-Q24 VanDerWaalsContact C-OE1 3.31Å; Y22-Q24 VanDerWaalsContact CB-CD 3.5Å; Y22-Q24 PolarHBondContact O-N 3.29Å; Q24-P69 HydrophobicContact CB-CB 4.06Å; Q24-P69 HydrophobicContact CG-CB 3.82Å; Q24-P69 HydrophobicContact CG-CG 4.5Å; Q24-D71 WeakPolarHBondContact CB-OD1 3.39Å
25	C	83.6	Confident	69.1	Low	19 Å²	19	77.3 Å²	77.3	13%	0.128	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-86.4	-12.7	176.2	-63	0	0	0	0	113.2	Y22 P23 C53 Y67	Y22-C25 WeakPolarHBondContact O-CA 3.29Å; Y22-C25 WeakPolarHBondContact O-CB 3.36Å; Y22-C25 PolarHBondContact O-N 3.1Å; P23-C25 VanDerWaalsContact C-N 3.28Å; P23-C25 PolarHBondContact O-N 2.94Å; C25-C53 WeakPolarHBondContact CA-SG 3.48Å; C25-C53 HydrophobicContact CB-CB 3.66Å; C25-C53 WeakPolarHBondContact CB-SG 3.32Å; C25-C53 VanDerWaalsContact SG-CA 3.55Å; C25-C53 WeakPolarHBondContact SG-CB 3.4Å; C25-C53 CovalentContact SG-SG 2.03Å; C25-C53 PolarHBondContact SG-SG 3.11Å; C25-Y67 PolarHBondContact O-OH 2.85Å
26	S	78	Confident	72.1	Confident	53 Å²	53	74 Å²	74	37%	0.371	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	155.2	175.7	74.5	0	0	0	0	111.6	P23 I28	P23-S26 WeakPolarHBondContact O-CB 3.25Å; P23-S26 PolarHBondContact O-N 3.12Å; P23-S26 PolarHBondContact O-OG 3.36Å; S26-I28 PolarHBondContact O-N 2.94Å
27	N	81.3	Confident	75	Confident	133 Å²	133	67.7 Å²	67.7	71%	0.711	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	23.6	177.8	-56.3	-39.9	0	0	0	116.7	K70	N27-K70 WeakPolarHBondContact O-CE 3.41Å; N27-K70 PolarHBondContact O-NZ 3.26Å
28	I	88.2	Confident	77.8	Confident	14 Å²	14	59 Å²	59	7%	0.072	34%	0.336	C	S	.	.			trans	-103.7	117.3	163.7	-66.7	170.7	0	0	0	107.3	S26 Q32 R33 Y67 F68 K70	S26-I28 PolarHBondContact O-N 2.94Å; I28-Q32 HydrophobicContact CG2-CB 3.85Å; I28-R33 HydrophobicContact CG2-CG 3.95Å; I28-Y67 HydrophobicContact CB-CE2 4.01Å; I28-Y67 HydrophobicContact CD1-CD2 3.98Å; I28-Y67 HydrophobicContact CD1-CE2 3.75Å; I28-Y67 HydrophobicContact CG1-CE2 4.45Å; I28-Y67 HydrophobicContact CG2-CD2 4.15Å; I28-Y67 HydrophobicContact CG2-CE2 4.08Å; I28-F68 VanDerWaalsContact CD1-O 3.29Å; I28-F68 WeakPolarHBondContact CD1-O 3.27Å; I28-K70 HydrophobicContact CD1-CG 3.92Å; I28-K70 HydrophobicContact CG1-CD 4.44Å; I28-K70 HydrophobicContact CG1-CG 3.83Å
29	T	90.4	Very high	80.5	Confident	77 Å²	77	55.8 Å²	55.8	47%	0.472	31%	0.312	S	S	.	.			trans	-73.2	160.1	175.7	68.6	0	0	0	0	110.4	V31 Q32 R33	T29-V31 PolarHBondContact O-N 3.16Å; T29-Q32 VanDerWaalsContact N-OE1 3.11Å; T29-Q32 WeakPolarHBondContact O-CA 3.44Å; T29-Q32 WeakPolarHBondContact O-CB 3.22Å; T29-Q32 PolarHBondContact O-N 2.86Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.39Å; T29-Q32 PolarHBondContact OG1-OE1 3.47Å; T29-R33 PolarHBondContact O-N 3.4Å
30	N	91.1	Very high	82.6	Confident	47 Å²	47	56.6 Å²	56.6	25%	0.251	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-52.8	-42.2	178.6	-69.5	-1.6	0	0	0	112.4	Q32 R33 E57 L63 W219	N30-Q32 PolarHBondContact O-N 3.39Å; N30-R33 WeakPolarHBondContact O-CB 3.27Å; N30-R33 PolarHBondContact O-N 3.01Å; N30-R33 VanDerWaalsContact O-N 3.15Å; N30-R33 PolarHBondContact OD1-NE 3.45Å; N30-R33 PolarHBondContact OD1-NH2 2.91Å; N30-E57 PolarHBondContact ND2-OE2 3.32Å; N30-E57 PolarHBondContact OD1-OE1 3.26Å; N30-L63 HydrophobicContact CB-CD1 3.92Å; N30-L63 HydrophobicContact CB-CD2 4.36Å; N30-W219 VanDerWaalsContact O-CH2 3.23Å; N30-W219 WeakPolarHBondContact O-CH2 3.44Å; N30-W219 WeakPolarHBondContact O-CZ2 3.43Å
31	V	91.7	Very high	84.7	Confident	64 Å²	64	51.2 Å²	51.2	39%	0.388	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-63.7	-27	178	176	0	0	0	0	112.8	T29 P270 L271	T29-V31 PolarHBondContact O-N 3.16Å; V31-P270 VanDerWaalsContact CG1-C 3.48Å; V31-P270 HydrophobicContact CG1-CB 4.12Å; V31-P270 VanDerWaalsContact CG1-O 3.24Å; V31-P270 WeakPolarHBondContact CG1-O 3.23Å; V31-P270 HydrophobicContact CG2-CB 4.35Å; V31-L271 HydrophobicContact CG1-CB 4.44Å; V31-L271 HydrophobicContact CG1-CD1 4.41Å; V31-L271 WeakPolarHBondContact O-CB 3.45Å
32	Q	92.2	Very high	86.5	Confident	64 Å²	64	49.5 Å²	49.5	30%	0.299	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-88.9	-4.3	178.9	-68.8	173.4	-44.2	0	0	113.5	I28 T29 N30 L34 Q179 L271	I28-Q32 HydrophobicContact CG2-CB 3.85Å; T29-Q32 VanDerWaalsContact N-OE1 3.11Å; T29-Q32 WeakPolarHBondContact O-CA 3.44Å; T29-Q32 WeakPolarHBondContact O-CB 3.22Å; T29-Q32 PolarHBondContact O-N 2.86Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.39Å; T29-Q32 PolarHBondContact OG1-OE1 3.47Å; N30-Q32 PolarHBondContact O-N 3.39Å; Q32-L34 PolarHBondContact O-N 3.36Å; Q32-Q179 PolarHBondContact O-NE2 3.3Å; Q32-L271 HydrophobicContact CG-CD1 4.07Å
33	R	92.9	Very high	88.2	Confident	10 Å²	10	47.8 Å²	47.8	4%	0.038	29%	0.285	C	S	.	.			trans	-70.3	119.2	-178.9	-66.5	-173.3	-173.9	178.5	10.9	110.2	I28 T29 N30 V55 E57 P64 Y67 W219	I28-R33 HydrophobicContact CG2-CG 3.95Å; T29-R33 PolarHBondContact O-N 3.4Å; N30-R33 WeakPolarHBondContact O-CB 3.27Å; N30-R33 PolarHBondContact O-N 3.01Å; N30-R33 VanDerWaalsContact O-N 3.15Å; N30-R33 PolarHBondContact OD1-NE 3.45Å; N30-R33 PolarHBondContact OD1-NH2 2.91Å; R33-V55 PolarHBondContact NH1-O 3.03Å; R33-E57 IonicContact CZ-OE1 3.62Å; R33-E57 IonicContact NH1-OE1 3.85Å; R33-E57 IonicContact NH2-OE1 2.75Å; R33-E57 PolarHBondContact NH2-OE1 2.95Å; R33-P64 HydrophobicContact CB-CG 3.87Å; R33-P64 PolarHBondContact NH1-O 3.25Å; R33-Y67 HydrophobicContact CB-CG 4.13Å; R33-Y67 HydrophobicContact CG-CD1 3.99Å; R33-Y67 HydrophobicContact CG-CD2 4.09Å; R33-Y67 HydrophobicContact CG-CE1 4.44Å; R33-Y67 HydrophobicContact CG-CG 3.79Å; R33-W219 HydrophobicContact CB-CH2 4.45Å; R33-W219 WeakPolarHBondContact O-CH2 3.47Å; R33-W219 VanDerWaalsContact O-CZ3 3.28Å; R33-W219 WeakPolarHBondContact O-CZ3 3.29Å
34	L	93.5	Very high	89.3	Confident	7 Å²	7	48.1 Å²	48.1	4%	0.037	28%	0.277	C	S	.	.			trans	-99.4	122.4	169.3	-65.4	171.7	0	0	0	108	Q32 C36 Y67 F68 L180	Q32-L34 PolarHBondContact O-N 3.36Å; L34-C36 PolarHBondContact O-N 2.99Å; L34-Y67 WeakPolarHBondContact O-CA 3.3Å; L34-Y67 WeakPolarHBondContact O-CB 3.01Å; L34-F68 HydrophobicContact CB-CD2 3.75Å; L34-F68 HydrophobicContact CB-CE2 4.43Å; L34-F68 WeakPolarHBondContact O-CD2 3.44Å; L34-F68 PolarHBondContact O-N 3.37Å; L34-F68 VanDerWaalsContact O-N 3.1Å; L34-L180 HydrophobicContact CD1-CD2 3.63Å; L34-L180 HydrophobicContact CD1-CG 4.25Å; L34-L180 HydrophobicContact CD2-CD2 3.86Å; L34-L180 HydrophobicContact CG-CD2 4.32Å
35	D	94.2	Very high	90	Very high	25 Å²	25	46.8 Å²	46.8	13%	0.134	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-64.4	114.7	-174.7	177.3	12.7	0	0	0	111.7	Y37 P38 P64 F68 R221 R277	D35-Y37 PolarHBondContact OD1-N 3.17Å; D35-P38 VanDerWaalsContact OD2-CA 3.27Å; D35-P38 WeakPolarHBondContact OD2-CA 2.95Å; D35-P38 WeakPolarHBondContact OD2-CB 3.3Å; D35-P64 HydrophobicContact CB-CB 3.56Å; D35-P64 HydrophobicContact CB-CG 3.9Å; D35-F68 WeakPolarHBondContact O-CE2 3.48Å; D35-R221 IonicContact OD2-NH1 3.77Å; D35-R277 PolarHBondContact O-NH2 2.91Å; D35-R277 IonicContact OD2-NH1 3.96Å; D35-R277 IonicContact OD2-NH2 3.53Å
36	C	94.9	Very high	90.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	-92.3	-12.2	-179.1	173.4	0	0	0	0	112.7	L34 R50 C52 C66 F68 Y98	L34-C36 PolarHBondContact O-N 2.99Å; C36-R50 PolarHBondContact O-NH1 2.97Å; C36-C52 HydrophobicContact CB-CB 3.67Å; C36-C52 WeakPolarHBondContact CB-SG 3.45Å; C36-C52 WeakPolarHBondContact SG-CB 3.42Å; C36-C52 CovalentContact SG-SG 2.01Å; C36-C52 PolarHBondContact SG-SG 3.47Å; C36-C66 PolarHBondContact N-O 2.95Å; C36-F68 HydrophobicContact CB-CD1 3.88Å; C36-F68 HydrophobicContact CB-CD2 3.99Å; C36-F68 HydrophobicContact CB-CE1 3.83Å; C36-F68 HydrophobicContact CB-CE2 3.94Å; C36-F68 HydrophobicContact CB-CG 3.97Å; C36-F68 HydrophobicContact CB-CZ 3.85Å; C36-Y98 VanDerWaalsContact O-CE2 3.24Å; C36-Y98 WeakPolarHBondContact O-CE2 3.18Å; C36-Y98 VanDerWaalsContact O-CZ 3.31Å; C36-Y98 PolarHBondContact O-OH 2.88Å
37	Y	93.9	Very high	91.1	Very high	29 Å²	29	45.2 Å²	45.2	11%	0.114	27%	0.27	C	S	.	.			trans	-136.3	74.1	176.7	-167.2	-170.6	0	0	0	111.4	D35 N39 S42 V46 R50	D35-Y37 PolarHBondContact OD1-N 3.17Å; Y37-N39 VanDerWaalsContact C-N 3.25Å; Y37-N39 HydrophobicContact CD2-CB 3.91Å; Y37-N39 HydrophobicContact CE2-CB 3.5Å; Y37-N39 WeakPolarHBondContact CE2-OD1 3.37Å; Y37-N39 PolarHBondContact O-N 2.99Å; Y37-S42 WeakPolarHBondContact O-CB 3.44Å; Y37-V46 HydrophobicContact CD1-CB 4.25Å; Y37-V46 HydrophobicContact CD1-CG1 4.14Å; Y37-V46 HydrophobicContact CE1-CB 3.58Å; Y37-V46 HydrophobicContact CE1-CG1 3.56Å; Y37-V46 HydrophobicContact CE1-CG2 4.35Å; Y37-V46 HydrophobicContact CE2-CG1 4.31Å; Y37-R50 VanDerWaalsContact CE2-NH2 3.33Å
38	P	93.8	Very high	91.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.253	C	S	.	.			trans	-74.3	-10	-172.7	28.9	-35.5	0	0	0	114.8	D35 Y98 F190 R221 R277 Y492	D35-P38 VanDerWaalsContact OD2-CA 3.27Å; D35-P38 WeakPolarHBondContact OD2-CA 2.95Å; D35-P38 WeakPolarHBondContact OD2-CB 3.3Å; P38-Y98 WeakPolarHBondContact CD-OH 3.37Å; P38-F190 HydrophobicContact CG-CE2 4.43Å; P38-F190 HydrophobicContact CG-CZ 4.3Å; P38-R221 VanDerWaalsContact O-CZ 3.26Å; P38-R221 PolarHBondContact O-NH1 3.25Å; P38-R221 PolarHBondContact O-NH2 3.37Å; P38-R277 VanDerWaalsContact CB-CZ 3.42Å; P38-Y492 HydrophobicContact CB-CE2 3.92Å; P38-Y492 HydrophobicContact CG-CD2 4.31Å; P38-Y492 HydrophobicContact CG-CE2 3.64Å
39	N	89.6	Confident	91.7	Very high	29 Å²	29	49.2 Å²	49.2	16%	0.155	29%	0.285	C	S	.	.	S	Bend	trans	-58.4	148.7	176.8	-59.6	62.8	0	0	0	111	Y37 G41 P491	Y37-N39 VanDerWaalsContact C-N 3.25Å; Y37-N39 HydrophobicContact CD2-CB 3.91Å; Y37-N39 HydrophobicContact CE2-CB 3.5Å; Y37-N39 WeakPolarHBondContact CE2-OD1 3.37Å; Y37-N39 PolarHBondContact O-N 2.99Å; N39-G41 PolarHBondContact O-N 3.19Å; N39-P491 PolarHBondContact ND2-O 2.83Å; N39-P491 VanDerWaalsContact ND2-O 3.11Å
40	V	83.9	Confident	91.7	Very high	93 Å²	93	46.5 Å²	46.5	56%	0.564	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	134.2	168.3	-178.6	0	0	0	0	109
41	G	85.1	Confident	91.6	Very high	57 Å²	57	46.3 Å²	46.3	59%	0.588	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	33.1	-179.8	0	0	0	0	0	114.7	N39	N39-G41 PolarHBondContact O-N 3.19Å
42	S	88.8	Confident	91.8	Very high	48 Å²	48	43.6 Å²	43.6	34%	0.336	26%	0.259	S	S	.	.			trans	-55.4	142.2	174.1	65.7	0	0	0	0	112	Y37	Y37-S42 WeakPolarHBondContact O-CB 3.44Å
43	N	93.8	Very high	91.9	Very high	66 Å²	66	40.6 Å²	40.6	35%	0.353	25%	0.245	S	C	.	.			trans	-144.9	159.9	-176.8	67	77.8	0	0	0	111.4	G45 V46 C47	N43-G45 PolarHBondContact O-N 3.41Å; N43-G45 PolarHBondContact OD1-N 2.64Å; N43-V46 PolarHBondContact OD1-N 2.92Å; N43-V46 VanDerWaalsContact OD1-N 3.08Å; N43-C47 VanDerWaalsContact O-CB 3.31Å; N43-C47 WeakPolarHBondContact O-CB 3.35Å; N43-C47 PolarHBondContact O-N 3.05Å; N43-C47 VanDerWaalsContact O-N 3.12Å
44	E	94.6	Very high	91.9	Very high	108 Å²	108	42.6 Å²	42.6	51%	0.505	25%	0.252	S	S	.	.	H	α-helix	trans	-59.1	-45.6	-175.7	-176.3	167.3	-164.3	0	0	113.2	C47 I48 W54	E44-C47 WeakPolarHBondContact O-CB 3.38Å; E44-C47 PolarHBondContact O-N 3.23Å; E44-I48 HydrophobicContact CG-CD1 3.69Å; E44-I48 HydrophobicContact CG-CG1 4.42Å; E44-I48 WeakPolarHBondContact O-CG1 3.33Å; E44-I48 PolarHBondContact O-N 2.93Å; E44-W54 HydrophobicContact CB-CB 4.48Å; E44-W54 HydrophobicContact CB-CD2 3.89Å; E44-W54 HydrophobicContact CB-CG 3.76Å; E44-W54 HydrophobicContact CB-CZ2 4.49Å; E44-W54 HydrophobicContact CG-CB 4.03Å; E44-W54 VanDerWaalsContact CG-CD1 3.44Å; E44-W54 HydrophobicContact CG-CD2 4.36Å; E44-W54 HydrophobicContact CG-CG 3.7Å
45	G	94.1	Very high	91.8	Very high	40 Å²	40	44.5 Å²	44.5	41%	0.412	27%	0.265	S	S	.	.	H	α-helix	trans	-59.5	-55.3	-175.3	0	0	0	0	0	112.4	N43 C47 I48 E49	N43-G45 PolarHBondContact O-N 3.41Å; N43-G45 PolarHBondContact OD1-N 2.64Å; G45-C47 VanDerWaalsContact C-N 3.27Å; G45-C47 PolarHBondContact O-N 3.37Å; G45-I48 PolarHBondContact O-N 3.3Å; G45-E49 WeakPolarHBondContact O-CG 3.46Å; G45-E49 PolarHBondContact O-N 2.99Å
46	V	91.6	Very high	91.5	Very high	39 Å²	39	47.1 Å²	47.1	24%	0.236	28%	0.283	C	S	.	.	H	α-helix	trans	-65.9	-33.1	179	178.4	0	0	0	0	111.4	Y37 N43 E49 R50	Y37-V46 HydrophobicContact CD1-CB 4.25Å; Y37-V46 HydrophobicContact CD1-CG1 4.14Å; Y37-V46 HydrophobicContact CE1-CB 3.58Å; Y37-V46 HydrophobicContact CE1-CG1 3.56Å; Y37-V46 HydrophobicContact CE1-CG2 4.35Å; Y37-V46 HydrophobicContact CE2-CG1 4.31Å; N43-V46 PolarHBondContact OD1-N 2.92Å; N43-V46 VanDerWaalsContact OD1-N 3.08Å; V46-E49 PolarHBondContact O-N 3.5Å; V46-R50 VanDerWaalsContact O-CG 3.32Å; V46-R50 WeakPolarHBondContact O-CG 3.22Å; V46-R50 PolarHBondContact O-N 3.48Å
47	C	93.6	Very high	90.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.6	-47.7	175.2	-174.5	0	0	0	0	111.9	N43 E44 G45 R50 C52 C53 W54 C66	N43-C47 VanDerWaalsContact O-CB 3.31Å; N43-C47 WeakPolarHBondContact O-CB 3.35Å; N43-C47 PolarHBondContact O-N 3.05Å; N43-C47 VanDerWaalsContact O-N 3.12Å; E44-C47 WeakPolarHBondContact O-CB 3.38Å; E44-C47 PolarHBondContact O-N 3.23Å; G45-C47 VanDerWaalsContact C-N 3.27Å; G45-C47 PolarHBondContact O-N 3.37Å; C47-R50 PolarHBondContact O-N 2.86Å; C47-C52 WeakPolarHBondContact O-CB 3.35Å; C47-C52 PolarHBondContact O-N 3.2Å; C47-C53 PolarHBondContact SG-O 3.14Å; C47-C53 VanDerWaalsContact SG-O 3.41Å; C47-W54 HydrophobicContact CB-CB 4.39Å; C47-W54 HydrophobicContact CB-CE3 3.89Å; C47-C66 VanDerWaalsContact CA-SG 3.53Å; C47-C66 HydrophobicContact CB-CB 3.77Å; C47-C66 WeakPolarHBondContact CB-SG 3.47Å; C47-C66 WeakPolarHBondContact SG-CA 3.39Å; C47-C66 WeakPolarHBondContact SG-CB 3.29Å; C47-C66 CovalentContact SG-SG 2.03Å; C47-C66 PolarHBondContact SG-SG 3.39Å
48	I	92.3	Very high	89.3	Confident	70 Å²	70	54.2 Å²	54.2	36%	0.359	33%	0.331	S	S	.	.	H	α-helix	trans	-67.4	-40.1	178.9	-66.3	170.9	0	0	0	110.5	E44 G45 R50 G51	E44-I48 HydrophobicContact CG-CD1 3.69Å; E44-I48 HydrophobicContact CG-CG1 4.42Å; E44-I48 WeakPolarHBondContact O-CG1 3.33Å; E44-I48 PolarHBondContact O-N 2.93Å; G45-I48 PolarHBondContact O-N 3.3Å; I48-R50 VanDerWaalsContact C-N 3.27Å; I48-R50 PolarHBondContact O-N 3.15Å; I48-G51 WeakPolarHBondContact O-CA 3.35Å; I48-G51 PolarHBondContact O-N 3.3Å
49	E	89.7	Confident	88.1	Confident	160 Å²	160	57.7 Å²	57.7	75%	0.748	37%	0.366	S	S	*	.	H	α-helix	trans	-60	-35	175.3	-75.9	178.1	175	0	0	112.9	G45 V46 G51	G45-E49 WeakPolarHBondContact O-CG 3.46Å; G45-E49 PolarHBondContact O-N 2.99Å; V46-E49 PolarHBondContact O-N 3.5Å; E49-G51 PolarHBondContact O-N 3.38Å
50	R	90.1	Very high	87.2	Confident	21 Å²	21	61.7 Å²	61.7	8%	0.079	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-5.7	173	-72.4	175.5	-178.1	-152.4	-3.6	113.5	C36 Y37 V46 C47 I48 Y72 Y98 Y99	C36-R50 PolarHBondContact O-NH1 2.97Å; Y37-R50 VanDerWaalsContact CE2-NH2 3.33Å; V46-R50 VanDerWaalsContact O-CG 3.32Å; V46-R50 WeakPolarHBondContact O-CG 3.22Å; V46-R50 PolarHBondContact O-N 3.48Å; C47-R50 PolarHBondContact O-N 2.86Å; I48-R50 VanDerWaalsContact C-N 3.27Å; I48-R50 PolarHBondContact O-N 3.15Å; R50-Y72 WeakPolarHBondContact O-CE2 3.41Å; R50-Y72 PolarHBondContact O-OH 2.91Å; R50-Y98 PolarHBondContact NH1-OH 3.12Å; R50-Y99 PolarHBondContact NH2-OH 2.72Å
51	G	90.4	Very high	87.1	Confident	42 Å²	42	65 Å²	65	43%	0.433	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	23.1	-174	0	0	0	0	0	113.4	I48 E49 P69	I48-G51 WeakPolarHBondContact O-CA 3.35Å; I48-G51 PolarHBondContact O-N 3.3Å; E49-G51 PolarHBondContact O-N 3.38Å; G51-P69 WeakPolarHBondContact O-CG 3.24Å
52	C	93.9	Very high	87.1	Confident	7 Å²	7	64.1 Å²	64.1	5%	0.047	39%	0.389	C	S	.	.			trans	-104.6	171.9	-176	-74.1	0	0	0	0	113.4	C36 C47 Y67	C36-C52 HydrophobicContact CB-CB 3.67Å; C36-C52 WeakPolarHBondContact CB-SG 3.45Å; C36-C52 WeakPolarHBondContact SG-CB 3.42Å; C36-C52 CovalentContact SG-SG 2.01Å; C36-C52 PolarHBondContact SG-SG 3.47Å; C47-C52 WeakPolarHBondContact O-CB 3.35Å; C47-C52 PolarHBondContact O-N 3.2Å; C52-Y67 WeakPolarHBondContact CB-O 3.15Å
53	C	94.6	Very high	87.2	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.007	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.8	-178.5	-60.7	0	0	0	0	110.5	C25 C47 C66 Y67	C25-C53 WeakPolarHBondContact CA-SG 3.48Å; C25-C53 HydrophobicContact CB-CB 3.66Å; C25-C53 WeakPolarHBondContact CB-SG 3.32Å; C25-C53 VanDerWaalsContact SG-CA 3.55Å; C25-C53 WeakPolarHBondContact SG-CB 3.4Å; C25-C53 CovalentContact SG-SG 2.03Å; C25-C53 PolarHBondContact SG-SG 3.11Å; C47-C53 PolarHBondContact SG-O 3.14Å; C47-C53 VanDerWaalsContact SG-O 3.41Å; C53-C66 CarbonylContact O-C 3.58Å; C53-C66 VanDerWaalsContact O-CA 3.27Å; C53-C66 WeakPolarHBondContact O-CA 3.21Å; C53-Y67 HydrophobicContact CB-CD1 4.1Å; C53-Y67 HydrophobicContact CB-CD2 3.88Å; C53-Y67 HydrophobicContact CB-CE1 3.73Å; C53-Y67 HydrophobicContact CB-CE2 3.48Å; C53-Y67 VanDerWaalsContact CB-CE2 3.48Å; C53-Y67 HydrophobicContact CB-CG 4.18Å; C53-Y67 PolarHBondContact N-O 2.91Å; C53-Y67 WeakPolarHBondContact O-CD1 3.44Å; C53-Y67 PolarHBondContact O-N 3.24Å
54	W	93.5	Very high	87.2	Confident	52 Å²	52	59.6 Å²	59.6	20%	0.197	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	114.3	174.7	-178.1	-100	0	0	0	110.7	E44 C47 Y65 C66	E44-W54 HydrophobicContact CB-CB 4.48Å; E44-W54 HydrophobicContact CB-CD2 3.89Å; E44-W54 HydrophobicContact CB-CG 3.76Å; E44-W54 HydrophobicContact CB-CZ2 4.49Å; E44-W54 HydrophobicContact CG-CB 4.03Å; E44-W54 VanDerWaalsContact CG-CD1 3.44Å; E44-W54 HydrophobicContact CG-CD2 4.36Å; E44-W54 HydrophobicContact CG-CG 3.7Å; C47-W54 HydrophobicContact CB-CB 4.39Å; C47-W54 HydrophobicContact CB-CE3 3.89Å; W54-Y65 CarbonylContact C-O 3.57Å; W54-Y65 WeakPolarHBondContact CA-O 3.4Å; W54-Y65 AromaticContact CH2-CD2 3.81Å; W54-Y65 HydrophobicContact CH2-CD2 3.81Å; W54-Y65 HydrophobicContact CH2-CG 4.31Å; W54-Y65 AromaticContact CZ2-CD2 3.85Å; W54-Y65 HydrophobicContact CZ2-CD2 3.85Å; W54-Y65 HydrophobicContact CZ2-CG 4.47Å; W54-C66 HydrophobicContact CE3-CB 3.85Å; W54-C66 HydrophobicContact CZ3-CB 4.08Å
55	V	92.1	Very high	87.1	Confident	48 Å²	48	58.7 Å²	58.7	29%	0.291	35%	0.354	S	S	.	.			trans	-134.9	100.1	172.3	-177.7	0	0	0	0	108.6	R33 E57 Y65 Y67	R33-V55 PolarHBondContact NH1-O 3.03Å; V55-E57 PolarHBondContact O-N 3.06Å; V55-Y65 PolarHBondContact N-O 3.15Å; V55-Y65 WeakPolarHBondContact O-CA 3.35Å; V55-Y67 HydrophobicContact CB-CE1 3.99Å; V55-Y67 HydrophobicContact CG2-CE1 3.79Å; V55-Y67 WeakPolarHBondContact CG2-OH 3.15Å
56	P	87.3	Confident	87.1	Confident	80 Å²	80	56.8 Å²	56.8	52%	0.519	33%	0.334	S	S	.	.			trans	-67.7	134	176	28.4	-31.2	0	0	0	109.4	Y65	P56-Y65 HydrophobicContact CB-CD2 4.1Å; P56-Y65 HydrophobicContact CB-CE2 4.27Å; P56-Y65 HydrophobicContact CB-CG 4.39Å
57	E	77.7	Confident	87.3	Confident	57 Å²	57	55.2 Å²	55.2	27%	0.266	32%	0.324	S	S	.	.			trans	-135.8	139	179.3	-106.7	-177.9	-138.1	0	0	111.5	N30 R33 V55 L63 Y65	N30-E57 PolarHBondContact ND2-OE2 3.32Å; N30-E57 PolarHBondContact OD1-OE1 3.26Å; R33-E57 IonicContact CZ-OE1 3.62Å; R33-E57 IonicContact NH1-OE1 3.85Å; R33-E57 IonicContact NH2-OE1 2.75Å; R33-E57 PolarHBondContact NH2-OE1 2.95Å; V55-E57 PolarHBondContact O-N 3.06Å; E57-L63 HydrophobicContact CB-CD2 4.02Å; E57-L63 WeakPolarHBondContact OE2-CD2 3.36Å; E57-Y65 WeakPolarHBondContact O-CE1 3.41Å; E57-Y65 PolarHBondContact O-OH 3.13Å; E57-Y65 VanDerWaalsContact O-OH 3.07Å
58	S	65.2	Low	87.3	Confident	121 Å²	121	55.3 Å²	55.3	85%	0.846	32%	0.324	S	S	*	.	S	Bend	trans	-98.6	135.1	174.6	56.5	0	0	0	0	110.7
59	G	68.9	Low	87.3	Confident	72 Å²	72	52.1 Å²	52.1	74%	0.742	31%	0.308	S	S	*	.	S	Bend	trans	117	-2.8	163	0	0	0	0	0	116.7
60	H	70.7	Confident	87.1	Confident	114 Å²	114	49.4 Å²	49.4	53%	0.528	29%	0.294	S	S	.	.			trans	-126.9	106.8	173.5	-67.9	-12.7	0	0	0	110.1	G62 L63	H60-G62 PolarHBondContact O-N 2.83Å; H60-L63 HydrophobicContact CB-CB 3.8Å; H60-L63 HydrophobicContact CB-CD2 4.2Å; H60-L63 WeakPolarHBondContact O-CB 3.17Å; H60-L63 PolarHBondContact O-N 3Å
61	D	80.1	Confident	87	Confident	163 Å²	163	53.7 Å²	53.7	87%	0.872	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	134.2	177.8	-165.2	14.5	0	0	0	110.4	L63	D61-L63 VanDerWaalsContact C-N 3.28Å; D61-L63 PolarHBondContact O-N 3.3Å
62	G	86.4	Confident	87.1	Confident	38 Å²	38	52.4 Å²	52.4	39%	0.392	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	-3.6	-176.4	0	0	0	0	0	117.2	H60 P64 W219	H60-G62 PolarHBondContact O-N 2.83Å; G62-P64 WeakPolarHBondContact O-CD 3.34Å; G62-W219 VanDerWaalsContact C-CB 3.49Å; G62-W219 WeakPolarHBondContact O-CB 3.4Å
63	L	91.6	Very high	87	Confident	10 Å²	10	53.4 Å²	53.4	5%	0.052	31%	0.308	C	S	.	.			trans	-63.4	124.9	174.9	178.7	74.3	0	0	0	110	N30 E57 H60 D61 Y65 W219	N30-L63 HydrophobicContact CB-CD1 3.92Å; N30-L63 HydrophobicContact CB-CD2 4.36Å; E57-L63 HydrophobicContact CB-CD2 4.02Å; E57-L63 WeakPolarHBondContact OE2-CD2 3.36Å; H60-L63 HydrophobicContact CB-CB 3.8Å; H60-L63 HydrophobicContact CB-CD2 4.2Å; H60-L63 WeakPolarHBondContact O-CB 3.17Å; H60-L63 PolarHBondContact O-N 3Å; D61-L63 VanDerWaalsContact C-N 3.28Å; D61-L63 PolarHBondContact O-N 3.3Å; L63-Y65 PolarHBondContact O-N 3.46Å; L63-W219 HydrophobicContact CD1-CD2 4.48Å; L63-W219 HydrophobicContact CD1-CH2 4.03Å; L63-W219 HydrophobicContact CD1-CZ2 3.36Å
64	P	92.6	Very high	87.1	Confident	8 Å²	8	53.9 Å²	53.9	5%	0.052	31%	0.312	C	S	.	.			trans	-71.7	129.5	-178	26.4	-34.9	0	0	0	112.6	R33 D35 G62 W219	R33-P64 HydrophobicContact CB-CG 3.87Å; R33-P64 PolarHBondContact NH1-O 3.25Å; D35-P64 HydrophobicContact CB-CB 3.56Å; D35-P64 HydrophobicContact CB-CG 3.9Å; G62-P64 WeakPolarHBondContact O-CD 3.34Å; P64-W219 HydrophobicContact CG-CZ3 4.29Å
65	Y	93.1	Very high	87.3	Confident	90 Å²	90	51.4 Å²	51.4	35%	0.353	30%	0.302	S	S	.	.	S	Bend	trans	-74.6	-38.5	168.6	-62.3	-5.6	0	0	0	110.8	W54 V55 P56 E57 L63	W54-Y65 CarbonylContact C-O 3.57Å; W54-Y65 WeakPolarHBondContact CA-O 3.4Å; W54-Y65 AromaticContact CH2-CD2 3.81Å; W54-Y65 HydrophobicContact CH2-CD2 3.81Å; W54-Y65 HydrophobicContact CH2-CG 4.31Å; W54-Y65 AromaticContact CZ2-CD2 3.85Å; W54-Y65 HydrophobicContact CZ2-CD2 3.85Å; W54-Y65 HydrophobicContact CZ2-CG 4.47Å; V55-Y65 PolarHBondContact N-O 3.15Å; V55-Y65 WeakPolarHBondContact O-CA 3.35Å; P56-Y65 HydrophobicContact CB-CD2 4.1Å; P56-Y65 HydrophobicContact CB-CE2 4.27Å; P56-Y65 HydrophobicContact CB-CG 4.39Å; E57-Y65 WeakPolarHBondContact O-CE1 3.41Å; E57-Y65 PolarHBondContact O-OH 3.13Å; E57-Y65 VanDerWaalsContact O-OH 3.07Å; L63-Y65 PolarHBondContact O-N 3.46Å
66	C	94.6	Very high	87.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.3	174.7	-171.2	0	0	0	0	111.1	C36 C47 C53 W54	C36-C66 PolarHBondContact N-O 2.95Å; C47-C66 VanDerWaalsContact CA-SG 3.53Å; C47-C66 HydrophobicContact CB-CB 3.77Å; C47-C66 WeakPolarHBondContact CB-SG 3.47Å; C47-C66 WeakPolarHBondContact SG-CA 3.39Å; C47-C66 WeakPolarHBondContact SG-CB 3.29Å; C47-C66 CovalentContact SG-SG 2.03Å; C47-C66 PolarHBondContact SG-SG 3.39Å; C53-C66 CarbonylContact O-C 3.58Å; C53-C66 VanDerWaalsContact O-CA 3.27Å; C53-C66 WeakPolarHBondContact O-CA 3.21Å; W54-C66 HydrophobicContact CE3-CB 3.85Å; W54-C66 HydrophobicContact CZ3-CB 4.08Å
67	Y	94.4	Very high	88.1	Confident	6 Å²	6	48.2 Å²	48.2	2%	0.024	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	156.2	-178	63.2	-86.8	0	0	0	113.4	C25 I28 R33 L34 C52 C53 V55	C25-Y67 PolarHBondContact O-OH 2.85Å; I28-Y67 HydrophobicContact CB-CE2 4.01Å; I28-Y67 HydrophobicContact CD1-CD2 3.98Å; I28-Y67 HydrophobicContact CD1-CE2 3.75Å; I28-Y67 HydrophobicContact CG1-CE2 4.45Å; I28-Y67 HydrophobicContact CG2-CD2 4.15Å; I28-Y67 HydrophobicContact CG2-CE2 4.08Å; R33-Y67 HydrophobicContact CB-CG 4.13Å; R33-Y67 HydrophobicContact CG-CD1 3.99Å; R33-Y67 HydrophobicContact CG-CD2 4.09Å; R33-Y67 HydrophobicContact CG-CE1 4.44Å; R33-Y67 HydrophobicContact CG-CG 3.79Å; L34-Y67 WeakPolarHBondContact O-CA 3.3Å; L34-Y67 WeakPolarHBondContact O-CB 3.01Å; C52-Y67 WeakPolarHBondContact CB-O 3.15Å; C53-Y67 HydrophobicContact CB-CD1 4.1Å; C53-Y67 HydrophobicContact CB-CD2 3.88Å; C53-Y67 HydrophobicContact CB-CE1 3.73Å; C53-Y67 HydrophobicContact CB-CE2 3.48Å; C53-Y67 VanDerWaalsContact CB-CE2 3.48Å; C53-Y67 HydrophobicContact CB-CG 4.18Å; C53-Y67 PolarHBondContact N-O 2.91Å; C53-Y67 WeakPolarHBondContact O-CD1 3.44Å; C53-Y67 PolarHBondContact O-N 3.24Å; V55-Y67 HydrophobicContact CB-CE1 3.99Å; V55-Y67 HydrophobicContact CG2-CE1 3.79Å; V55-Y67 WeakPolarHBondContact CG2-OH 3.15Å
68	F	94	Very high	89	Confident	1 Å²	1	50.2 Å²	50.2	0%	0.004	30%	0.297	C	S	.	.			trans	-68.2	131.8	178.4	-64.5	-75.9	0	0	0	111.7	I28 L34 D35 C36 Y72 Y98 I185	I28-F68 VanDerWaalsContact CD1-O 3.29Å; I28-F68 WeakPolarHBondContact CD1-O 3.27Å; L34-F68 HydrophobicContact CB-CD2 3.75Å; L34-F68 HydrophobicContact CB-CE2 4.43Å; L34-F68 WeakPolarHBondContact O-CD2 3.44Å; L34-F68 PolarHBondContact O-N 3.37Å; L34-F68 VanDerWaalsContact O-N 3.1Å; D35-F68 WeakPolarHBondContact O-CE2 3.48Å; C36-F68 HydrophobicContact CB-CD1 3.88Å; C36-F68 HydrophobicContact CB-CD2 3.99Å; C36-F68 HydrophobicContact CB-CE1 3.83Å; C36-F68 HydrophobicContact CB-CE2 3.94Å; C36-F68 HydrophobicContact CB-CG 3.97Å; C36-F68 HydrophobicContact CB-CZ 3.85Å; F68-Y72 AromaticContact CD1-CD1 3.74Å; F68-Y72 HydrophobicContact CD1-CD1 3.74Å; F68-Y72 HydrophobicContact CD1-CD2 4.05Å; F68-Y72 AromaticContact CD1-CE1 3.93Å; F68-Y72 HydrophobicContact CD1-CE1 3.93Å; F68-Y72 HydrophobicContact CD1-CE2 4.21Å; F68-Y72 AromaticContact CD1-CG 3.79Å; F68-Y72 HydrophobicContact CD1-CG 3.79Å; F68-Y72 HydrophobicContact CE1-CD1 4.13Å; F68-Y72 AromaticContact CE1-CE1 3.89Å; F68-Y72 HydrophobicContact CE1-CE1 3.89Å; F68-Y98 HydrophobicContact CE1-CD2 4.02Å; F68-Y98 AromaticContact CE1-CE2 3.8Å; F68-Y98 HydrophobicContact CE1-CE2 3.8Å; F68-Y98 HydrophobicContact CZ-CD2 4.36Å; F68-Y98 AromaticContact CZ-CE2 3.78Å; F68-Y98 HydrophobicContact CZ-CE2 3.78Å; F68-I185 HydrophobicContact CE1-CD1 4.06Å; F68-I185 HydrophobicContact CZ-CD1 3.69Å
69	P	92.6	Very high	90.5	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.019	28%	0.278	C	S	.	.			trans	-68.1	164.7	168.2	26.8	-32.1	0	0	0	111.3	Q24 G51 D71 Y72	Q24-P69 HydrophobicContact CB-CB 4.06Å; Q24-P69 HydrophobicContact CG-CB 3.82Å; Q24-P69 HydrophobicContact CG-CG 4.5Å; G51-P69 WeakPolarHBondContact O-CG 3.24Å; P69-D71 VanDerWaalsContact C-N 3.26Å; P69-D71 PolarHBondContact O-N 2.81Å; P69-Y72 HydrophobicContact CG-CD2 3.86Å; P69-Y72 HydrophobicContact CG-CG 4.4Å; P69-Y72 WeakPolarHBondContact O-CB 3.43Å; P69-Y72 PolarHBondContact O-N 2.75Å
70	K	85.9	Confident	91.8	Very high	104 Å²	104	46.2 Å²	46.2	45%	0.452	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-29.5	-178.4	-76.2	-173.7	179.5	173.2	0	114.1	N27 I28	N27-K70 WeakPolarHBondContact O-CE 3.41Å; N27-K70 PolarHBondContact O-NZ 3.26Å; I28-K70 HydrophobicContact CD1-CG 3.92Å; I28-K70 HydrophobicContact CG1-CD 4.44Å; I28-K70 HydrophobicContact CG1-CG 3.83Å
71	D	86.7	Confident	93	Very high	110 Å²	110	47.4 Å²	47.4	59%	0.588	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	15.2	-176.1	62.4	-16.1	0	0	0	112.5	Q24 P69 S73	Q24-D71 WeakPolarHBondContact CB-OD1 3.39Å; P69-D71 VanDerWaalsContact C-N 3.26Å; P69-D71 PolarHBondContact O-N 2.81Å; D71-S73 PolarHBondContact O-N 2.98Å
72	Y	92.4	Very high	93.6	Very high	15 Å²	15	46.2 Å²	46.2	6%	0.059	25%	0.254	C	S	.	.			trans	-57.1	137.1	176.1	-163.3	-93.5	0	0	0	110.8	R50 F68 P69 A74 S182	R50-Y72 WeakPolarHBondContact O-CE2 3.41Å; R50-Y72 PolarHBondContact O-OH 2.91Å; F68-Y72 AromaticContact CD1-CD1 3.74Å; F68-Y72 HydrophobicContact CD1-CD1 3.74Å; F68-Y72 HydrophobicContact CD1-CD2 4.05Å; F68-Y72 AromaticContact CD1-CE1 3.93Å; F68-Y72 HydrophobicContact CD1-CE1 3.93Å; F68-Y72 HydrophobicContact CD1-CE2 4.21Å; F68-Y72 AromaticContact CD1-CG 3.79Å; F68-Y72 HydrophobicContact CD1-CG 3.79Å; F68-Y72 HydrophobicContact CE1-CD1 4.13Å; F68-Y72 AromaticContact CE1-CE1 3.89Å; F68-Y72 HydrophobicContact CE1-CE1 3.89Å; P69-Y72 HydrophobicContact CG-CD2 3.86Å; P69-Y72 HydrophobicContact CG-CG 4.4Å; P69-Y72 WeakPolarHBondContact O-CB 3.43Å; P69-Y72 PolarHBondContact O-N 2.75Å; Y72-A74 PolarHBondContact O-N 3.49Å; Y72-S182 PolarHBondContact O-OG 2.99Å
73	S	93.7	Very high	93.8	Very high	29 Å²	29	46.7 Å²	46.7	20%	0.203	25%	0.249	C	C	.	.			trans	-54.8	127.6	-175.4	-162.8	0	0	0	0	111.1	D71 K93 S95	D71-S73 PolarHBondContact O-N 2.98Å; S73-K93 WeakPolarHBondContact O-CE 3.35Å; S73-K93 PolarHBondContact O-NZ 3.26Å; S73-S95 WeakPolarHBondContact CB-O 3.48Å; S73-S95 PolarHBondContact OG-N 2.91Å; S73-S95 PolarHBondContact OG-O 3.27Å
74	A	95.5	Very high	93.5	Very high	10 Å²	10	52.6 Å²	52.6	8%	0.083	28%	0.276	C	S	.	.			trans	-120.5	162.9	177.9	0	0	0	0	0	110.1	Y72 P94 P158 A181	Y72-A74 PolarHBondContact O-N 3.49Å; A74-P94 VanDerWaalsContact O-CD 3.29Å; A74-P94 WeakPolarHBondContact O-CD 3.4Å; A74-P158 HydrophobicContact CB-CB 3.6Å; A74-A181 HydrophobicContact CB-CB 4.21Å
75	Y	97.9	Very high	93.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.281	C	S	.	.			trans	-64.5	151.3	170.4	-76.8	-91.9	0	0	0	110.7	L91 S92 K93 I103 I106 F159 L184 F186	Y75-L91 HydrophobicContact CD1-CB 3.87Å; Y75-L91 HydrophobicContact CG-CB 4.42Å; Y75-S92 CarbonylContact C-O 3.36Å; Y75-S92 WeakPolarHBondContact CA-O 3.16Å; Y75-K93 HydrophobicContact CD1-CB 3.88Å; Y75-K93 HydrophobicContact CD2-CB 4.36Å; Y75-K93 HydrophobicContact CD2-CD 4.08Å; Y75-K93 HydrophobicContact CD2-CG 4.47Å; Y75-K93 HydrophobicContact CE1-CB 3.77Å; Y75-K93 HydrophobicContact CE2-CB 4.28Å; Y75-K93 HydrophobicContact CE2-CD 3.77Å; Y75-K93 HydrophobicContact CE2-CG 4.48Å; Y75-K93 HydrophobicContact CG-CB 4.19Å; Y75-I103 PolarHBondContact OH-O 3.43Å; Y75-I106 HydrophobicContact CD1-CD1 3.91Å; Y75-I106 HydrophobicContact CD1-CG1 3.89Å; Y75-I106 HydrophobicContact CD2-CD1 4.41Å; Y75-I106 HydrophobicContact CE1-CB 4.4Å; Y75-I106 HydrophobicContact CE1-CD1 3.59Å; Y75-I106 HydrophobicContact CE1-CG1 3.58Å; Y75-I106 HydrophobicContact CE1-CG2 4.11Å; Y75-I106 HydrophobicContact CE2-CD1 4.12Å; Y75-I106 HydrophobicContact CG-CD1 4.3Å; Y75-F159 VanDerWaalsContact O-CB 3.31Å; Y75-F159 WeakPolarHBondContact O-CB 3.45Å; Y75-F159 PolarHBondContact O-N 2.84Å; Y75-L184 HydrophobicContact CD2-CB 4.17Å; Y75-L184 HydrophobicContact CD2-CD2 3.75Å; Y75-L184 HydrophobicContact CD2-CG 3.68Å; Y75-L184 HydrophobicContact CE2-CD2 4.37Å; Y75-L184 HydrophobicContact CE2-CG 3.94Å; Y75-L184 WeakPolarHBondContact CE2-O 3.48Å; Y75-L184 HydrophobicContact CG-CD2 4.17Å; Y75-F186 VanDerWaalsContact OH-CB 3.25Å; Y75-F186 WeakPolarHBondContact OH-CB 3.44Å
76	V	97.9	Very high	93.2	Very high	38 Å²	38	49.6 Å²	49.6	23%	0.23	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	147.3	171.9	-54.3	0	0	0	0	109.9	V78 L91 S92 P94 K156	V76-V78 PolarHBondContact O-N 3.02Å; V76-L91 CarbonylContact O-C 3.58Å; V76-L91 VanDerWaalsContact O-CA 3.29Å; V76-L91 WeakPolarHBondContact O-CA 3.23Å; V76-S92 WeakPolarHBondContact CG2-O 3.49Å; V76-S92 PolarHBondContact N-O 3.08Å; V76-S92 PolarHBondContact O-N 2.81Å; V76-P94 HydrophobicContact CG1-CG 4.5Å; V76-K156 WeakPolarHBondContact CA-O 3.26Å
77	V	98	Very high	93.2	Very high	23 Å²	23	53 Å²	53	14%	0.139	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	115.1	176.6	-179.6	0	0	0	0	109.4	S79 A80 L91 M154 K156 F159	V77-S79 WeakPolarHBondContact CG1-O 3.28Å; V77-A80 HydrophobicContact CG1-CB 3.99Å; V77-L91 HydrophobicContact CB-CD2 4.26Å; V77-L91 HydrophobicContact CG2-CD2 3.64Å; V77-M154 HydrophobicContact CG1-CE 4.49Å; V77-M154 HydrophobicContact CG2-CE 4.47Å; V77-M154 HydrophobicContact CG2-CG 4.44Å; V77-M154 HydrophobicContact CG2-SD 4.08Å; V77-K156 HydrophobicContact CB-CB 4.04Å; V77-K156 HydrophobicContact CB-CG 4.16Å; V77-K156 HydrophobicContact CG2-CB 4.15Å; V77-K156 HydrophobicContact CG2-CG 4.19Å; V77-K156 PolarHBondContact N-O 2.91Å; V77-F159 HydrophobicContact CG2-CB 4.35Å; V77-F159 HydrophobicContact CG2-CD2 3.65Å; V77-F159 HydrophobicContact CG2-CG 4.44Å
78	V	97.6	Very high	93.3	Very high	99 Å²	99	55.9 Å²	55.9	60%	0.6	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	-45.2	174.7	-179.4	0	0	0	0	110.5	V76 Q90 S92	V76-V78 PolarHBondContact O-N 3.02Å; V78-Q90 HydrophobicContact CB-CB 4.41Å; V78-Q90 PolarHBondContact N-O 2.92Å; V78-S92 VanDerWaalsContact CG2-CB 3.43Å
79	S	96.8	Very high	93.4	Very high	63 Å²	63	56 Å²	56	44%	0.441	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	152.6	174.6	62.5	0	0	0	0	109.6	V77 G89 Q90	V77-S79 WeakPolarHBondContact CG1-O 3.28Å; S79-G89 CarbonylContact O-C 3.56Å; S79-G89 VanDerWaalsContact O-CA 3.28Å; S79-G89 WeakPolarHBondContact O-CA 3.31Å; S79-Q90 PolarHBondContact O-N 3.48Å; S79-Q90 WeakPolarHBondContact OG-CB 3.41Å; S79-Q90 WeakPolarHBondContact OG-CG 3.48Å
80	A	95.3	Very high	93.7	Very high	47 Å²	47	58.8 Å²	58.8	39%	0.388	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	126.7	172.6	0	0	0	0	0	108.6	V77 I88 M154	V77-A80 HydrophobicContact CG1-CB 3.99Å; A80-I88 CarbonylContact C-O 3.53Å; A80-I88 WeakPolarHBondContact CA-O 3.45Å; A80-M154 HydrophobicContact CB-CE 3.66Å
81	E	95.1	Very high	94.2	Very high	138 Å²	138	53.8 Å²	53.8	65%	0.645	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	137.3	176.9	-175.7	174.9	175.2	0	0	108.9	F87 I88	E81-F87 CarbonylContact O-C 3.52Å; E81-F87 VanDerWaalsContact O-CA 3.3Å; E81-F87 WeakPolarHBondContact O-CA 3.32Å; E81-I88 PolarHBondContact N-O 2.9Å; E81-I88 PolarHBondContact O-N 3.17Å
82	K	93.1	Very high	94.8	Very high	139 Å²	139	49.8 Å²	49.8	60%	0.604	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	126.2	172.2	-173.7	174.2	-176.5	173.5	0	108.6	G86 F87	K82-G86 WeakPolarHBondContact CA-O 3.4Å; K82-G86 WeakPolarHBondContact CG-O 3.17Å; K82-F87 HydrophobicContact CB-CD1 3.95Å; K82-F87 HydrophobicContact CB-CE1 3.88Å; K82-F87 HydrophobicContact CD-CE1 3.96Å; K82-F87 HydrophobicContact CD-CZ 4.29Å; K82-F87 HydrophobicContact CG-CD1 4.04Å; K82-F87 HydrophobicContact CG-CE1 3.7Å; K82-F87 HydrophobicContact CG-CZ 4.25Å
83	T	90.3	Very high	95	Very high	47 Å²	47	49.1 Å²	49.1	29%	0.288	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	176.1	173.7	69.5	0	0	0	0	110.3	H85 G86 I88	T83-H85 PolarHBondContact O-N 3.44Å; T83-H85 PolarHBondContact OG1-N 2.9Å; T83-G86 PolarHBondContact N-O 3.22Å; T83-G86 VanDerWaalsContact OG1-C 3.28Å; T83-G86 PolarHBondContact OG1-N 3.3Å; T83-G86 VanDerWaalsContact OG1-N 3.1Å; T83-G86 PolarHBondContact OG1-O 3.03Å; T83-I88 HydrophobicContact CG2-CB 4.4Å; T83-I88 HydrophobicContact CG2-CD1 3.66Å; T83-I88 HydrophobicContact CG2-CG1 3.72Å
84	E	86.7	Confident	94.9	Very high	134 Å²	134	51.6 Å²	51.6	63%	0.626	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-32.9	173	-177.5	169.2	-173.1	0	0	112.5
85	H	88	Confident	94.7	Very high	33 Å²	33	54 Å²	54	15%	0.153	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	22.7	-173.8	-55.7	-83	0	0	0	113.1	T83 R111 E112	T83-H85 PolarHBondContact O-N 3.44Å; T83-H85 PolarHBondContact OG1-N 2.9Å; H85-R111 HydrophobicContact CB-CG 4.2Å; H85-R111 CarbonylContact O-C 3.47Å; H85-R111 WeakPolarHBondContact O-CA 3.29Å; H85-E112 WeakPolarHBondContact O-CB 3.38Å; H85-E112 PolarHBondContact O-N 3.15Å
86	G	91.4	Very high	94.3	Very high	3 Å²	3	56.1 Å²	56.1	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141.5	-127.4	178.9	0	0	0	0	0	113.4	K82 T83 I110	K82-G86 WeakPolarHBondContact CA-O 3.4Å; K82-G86 WeakPolarHBondContact CG-O 3.17Å; T83-G86 PolarHBondContact N-O 3.22Å; T83-G86 VanDerWaalsContact OG1-C 3.28Å; T83-G86 PolarHBondContact OG1-N 3.3Å; T83-G86 VanDerWaalsContact OG1-N 3.1Å; T83-G86 PolarHBondContact OG1-O 3.03Å; G86-I110 CarbonylContact C-O 3.57Å; G86-I110 WeakPolarHBondContact CA-O 3.48Å
87	F	93.5	Very high	93.7	Very high	71 Å²	71	57.4 Å²	57.4	31%	0.311	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	145.5	-172.2	-56.5	-90.2	0	0	0	112.6	E81 K82 I110	E81-F87 CarbonylContact O-C 3.52Å; E81-F87 VanDerWaalsContact O-CA 3.3Å; E81-F87 WeakPolarHBondContact O-CA 3.32Å; K82-F87 HydrophobicContact CB-CD1 3.95Å; K82-F87 HydrophobicContact CB-CE1 3.88Å; K82-F87 HydrophobicContact CD-CE1 3.96Å; K82-F87 HydrophobicContact CD-CZ 4.29Å; K82-F87 HydrophobicContact CG-CD1 4.04Å; K82-F87 HydrophobicContact CG-CE1 3.7Å; K82-F87 HydrophobicContact CG-CZ 4.25Å; F87-I110 PolarHBondContact N-O 3.04Å; F87-I110 PolarHBondContact O-N 2.84Å
88	I	96.3	Very high	93.2	Very high	67 Å²	67	56.6 Å²	56.6	34%	0.344	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.7	167.4	-64.5	171.1	0	0	0	108.2	A80 E81 T83 V108 E109	A80-I88 CarbonylContact C-O 3.53Å; A80-I88 WeakPolarHBondContact CA-O 3.45Å; E81-I88 PolarHBondContact N-O 2.9Å; E81-I88 PolarHBondContact O-N 3.17Å; T83-I88 HydrophobicContact CG2-CB 4.4Å; T83-I88 HydrophobicContact CG2-CD1 3.66Å; T83-I88 HydrophobicContact CG2-CG1 3.72Å; I88-V108 CarbonylContact C-O 3.59Å; I88-V108 WeakPolarHBondContact CA-O 3.43Å; I88-E109 HydrophobicContact CG1-CB 4.44Å; I88-E109 HydrophobicContact CG1-CG 4.2Å
89	G	96.4	Very high	92.8	Very high	2 Å²	2	53.5 Å²	53.5	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.2	178.4	0	0	0	0	0	112	S79 A107 V108	S79-G89 CarbonylContact O-C 3.56Å; S79-G89 VanDerWaalsContact O-CA 3.28Å; S79-G89 WeakPolarHBondContact O-CA 3.31Å; G89-A107 CarbonylContact O-C 3.57Å; G89-A107 VanDerWaalsContact O-CA 3.27Å; G89-A107 WeakPolarHBondContact O-CA 3.03Å; G89-V108 PolarHBondContact N-O 2.93Å; G89-V108 PolarHBondContact O-N 3.02Å
90	Q	98.3	Very high	92.3	Very high	62 Å²	62	59.8 Å²	59.8	29%	0.29	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	126.6	165.4	-64.9	-63.1	-38.3	0	0	108.7	V78 S79	V78-Q90 HydrophobicContact CB-CB 4.41Å; V78-Q90 PolarHBondContact N-O 2.92Å; S79-Q90 PolarHBondContact O-N 3.48Å; S79-Q90 WeakPolarHBondContact OG-CB 3.41Å; S79-Q90 WeakPolarHBondContact OG-CG 3.48Å
91	L	98.4	Very high	92.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	140.6	-177	-50.9	-177.2	0	0	0	110	Y75 V76 V77 S105 I106 V108 F122 F159 L184	Y75-L91 HydrophobicContact CD1-CB 3.87Å; Y75-L91 HydrophobicContact CG-CB 4.42Å; V76-L91 CarbonylContact O-C 3.58Å; V76-L91 VanDerWaalsContact O-CA 3.29Å; V76-L91 WeakPolarHBondContact O-CA 3.23Å; V77-L91 HydrophobicContact CB-CD2 4.26Å; V77-L91 HydrophobicContact CG2-CD2 3.64Å; L91-S105 WeakPolarHBondContact O-CA 3.34Å; L91-I106 HydrophobicContact CB-CG1 3.76Å; L91-I106 HydrophobicContact CD1-CD1 4.14Å; L91-I106 HydrophobicContact CD1-CG1 4.09Å; L91-I106 HydrophobicContact CG-CG1 4.34Å; L91-I106 PolarHBondContact N-O 2.97Å; L91-I106 PolarHBondContact O-N 2.73Å; L91-I106 VanDerWaalsContact O-O 3.09Å; L91-V108 HydrophobicContact CD1-CB 4.09Å; L91-V108 HydrophobicContact CD1-CG1 3.98Å; L91-V108 HydrophobicContact CD2-CG1 4.13Å; L91-V108 HydrophobicContact CG-CG1 4.08Å; L91-F122 HydrophobicContact CD1-CD1 4.18Å; L91-F122 HydrophobicContact CD1-CE1 3.98Å; L91-F159 HydrophobicContact CD1-CD1 3.7Å; L91-F159 HydrophobicContact CD1-CD2 4.04Å; L91-F159 HydrophobicContact CD1-CE1 3.76Å; L91-F159 HydrophobicContact CD1-CE2 4.06Å; L91-F159 HydrophobicContact CD1-CG 3.84Å; L91-F159 HydrophobicContact CD1-CZ 3.92Å; L91-F159 HydrophobicContact CD2-CB 4.28Å; L91-F159 HydrophobicContact CD2-CD2 3.54Å; L91-F159 HydrophobicContact CD2-CE2 3.98Å; L91-F159 HydrophobicContact CD2-CG 3.84Å; L91-F159 HydrophobicContact CG-CD2 4.47Å; L91-F159 HydrophobicContact CG-CG 4.49Å; L91-L184 HydrophobicContact CD1-CD2 4.44Å
92	S	97.9	Very high	92.2	Very high	26 Å²	26	55 Å²	55	18%	0.182	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	135.1	176	-179	0	0	0	0	110.6	Y75 V76 V78 K104	Y75-S92 CarbonylContact C-O 3.36Å; Y75-S92 WeakPolarHBondContact CA-O 3.16Å; V76-S92 WeakPolarHBondContact CG2-O 3.49Å; V76-S92 PolarHBondContact N-O 3.08Å; V76-S92 PolarHBondContact O-N 2.81Å; V78-S92 VanDerWaalsContact CG2-CB 3.43Å; S92-K104 CarbonylContact C-O 3.37Å; S92-K104 VanDerWaalsContact CA-O 3.26Å; S92-K104 WeakPolarHBondContact CA-O 3.33Å
93	K	96.3	Very high	92.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.267	C	S	.	.			trans	-95.2	115.9	172.8	-161.6	165.2	-171	166.7	0	109.4	S73 Y75 S95 E102 K104 L184	S73-K93 WeakPolarHBondContact O-CE 3.35Å; S73-K93 PolarHBondContact O-NZ 3.26Å; Y75-K93 HydrophobicContact CD1-CB 3.88Å; Y75-K93 HydrophobicContact CD2-CB 4.36Å; Y75-K93 HydrophobicContact CD2-CD 4.08Å; Y75-K93 HydrophobicContact CD2-CG 4.47Å; Y75-K93 HydrophobicContact CE1-CB 3.77Å; Y75-K93 HydrophobicContact CE2-CB 4.28Å; Y75-K93 HydrophobicContact CE2-CD 3.77Å; Y75-K93 HydrophobicContact CE2-CG 4.48Å; Y75-K93 HydrophobicContact CG-CB 4.19Å; K93-S95 VanDerWaalsContact C-N 3.31Å; K93-S95 PolarHBondContact O-N 3.21Å; K93-E102 VanDerWaalsContact CD-OE1 3.26Å; K93-E102 WeakPolarHBondContact CD-OE1 3.34Å; K93-E102 WeakPolarHBondContact CE-OE1 3.32Å; K93-E102 IonicContact NZ-OE1 2.66Å; K93-E102 PolarHBondContact NZ-OE1 2.71Å; K93-E102 IonicContact NZ-OE2 4Å; K93-K104 PolarHBondContact N-O 3.3Å; K93-K104 WeakPolarHBondContact O-CG 3.32Å; K93-L184 PolarHBondContact NZ-O 2.9Å
94	P	92.5	Very high	92.7	Very high	81 Å²	81	52.7 Å²	52.7	53%	0.526	28%	0.278	S	S	.	.	S	Bend	trans	-61.5	-37.9	-175.9	-26.1	35.4	0	0	0	113.7	A74 V76	A74-P94 VanDerWaalsContact O-CD 3.29Å; A74-P94 WeakPolarHBondContact O-CD 3.4Å; V76-P94 HydrophobicContact CG1-CG 4.5Å
95	S	91.2	Very high	93.2	Very high	60 Å²	60	49.1 Å²	49.1	42%	0.42	27%	0.268	S	S	.	.	S	Bend	trans	-135.8	82.5	-177.3	-171	0	0	0	0	110.2	S73 K93 T97	S73-S95 WeakPolarHBondContact CB-O 3.48Å; S73-S95 PolarHBondContact OG-N 2.91Å; S73-S95 PolarHBondContact OG-O 3.27Å; K93-S95 VanDerWaalsContact C-N 3.31Å; K93-S95 PolarHBondContact O-N 3.21Å; S95-T97 PolarHBondContact O-N 2.66Å; S95-T97 WeakPolarHBondContact OG-CG2 3.16Å
96	P	88.4	Confident	93.7	Very high	45 Å²	45	47.6 Å²	47.6	29%	0.292	26%	0.26	S	S	.	.			trans	-72.8	115.3	173.2	30.2	-31	0	0	0	109.1	E102	P96-E102 VanDerWaalsContact C-OE2 3.3Å; P96-E102 WeakPolarHBondContact CA-OE2 3.41Å; P96-E102 HydrophobicContact CB-CB 3.86Å; P96-E102 HydrophobicContact CB-CG 3.68Å
97	T	85.7	Confident	94	Very high	66 Å²	66	47.7 Å²	47.7	41%	0.405	26%	0.261	S	S	.	.			trans	-137.5	-1.9	-173.4	58.1	0	0	0	0	113.3	S95 E102	S95-T97 PolarHBondContact O-N 2.66Å; S95-T97 WeakPolarHBondContact OG-CG2 3.16Å; T97-E102 PolarHBondContact N-OE2 3.15Å
98	Y	88.9	Confident	94.3	Very high	6 Å²	6	44.4 Å²	44.4	2%	0.024	25%	0.247	C	C	.	.	S	Bend	trans	-73.9	-47	-173.2	-167.6	-91.5	0	0	0	111.9	C36 P38 R50 F68 E102 I185 F190	C36-Y98 VanDerWaalsContact O-CE2 3.24Å; C36-Y98 WeakPolarHBondContact O-CE2 3.18Å; C36-Y98 VanDerWaalsContact O-CZ 3.31Å; C36-Y98 PolarHBondContact O-OH 2.88Å; P38-Y98 WeakPolarHBondContact CD-OH 3.37Å; R50-Y98 PolarHBondContact NH1-OH 3.12Å; F68-Y98 HydrophobicContact CE1-CD2 4.02Å; F68-Y98 AromaticContact CE1-CE2 3.8Å; F68-Y98 HydrophobicContact CE1-CE2 3.8Å; F68-Y98 HydrophobicContact CZ-CD2 4.36Å; F68-Y98 AromaticContact CZ-CE2 3.78Å; F68-Y98 HydrophobicContact CZ-CE2 3.78Å; Y98-E102 WeakPolarHBondContact CB-OE2 3.31Å; Y98-E102 PolarHBondContact N-OE2 3.13Å; Y98-I185 HydrophobicContact CD1-CD1 3.84Å; Y98-I185 HydrophobicContact CD1-CG2 3.87Å; Y98-I185 HydrophobicContact CD2-CD1 3.43Å; Y98-I185 VanDerWaalsContact CD2-CD1 3.43Å; Y98-I185 HydrophobicContact CD2-CG1 4.41Å; Y98-I185 HydrophobicContact CE1-CD1 3.91Å; Y98-I185 HydrophobicContact CE2-CD1 3.51Å; Y98-I185 HydrophobicContact CG-CD1 3.6Å; Y98-I185 HydrophobicContact CG-CG1 4.27Å; Y98-I185 HydrophobicContact CG-CG2 4.13Å; Y98-F190 HydrophobicContact CD1-CD1 4.25Å; Y98-F190 HydrophobicContact CD1-CE1 4.21Å; Y98-F190 AromaticContact CE1-CD1 3.83Å; Y98-F190 HydrophobicContact CE1-CD1 3.83Å; Y98-F190 AromaticContact CE1-CE1 3.47Å; Y98-F190 HydrophobicContact CE1-CE1 3.47Å; Y98-F190 VanDerWaalsContact CE1-CE1 3.47Å; Y98-F190 HydrophobicContact CE1-CZ 4.1Å
99	Y	88.4	Confident	94.3	Very high	34 Å²	34	43.5 Å²	43.5	13%	0.133	24%	0.241	C	C	.	.	S	Bend	trans	-128.1	159.5	166.8	-74.9	-62.3	0	0	0	109.8	R50 D101 E102 F190 P491	R50-Y99 PolarHBondContact NH2-OH 2.72Å; Y99-D101 WeakPolarHBondContact CB-OD1 3.3Å; Y99-D101 PolarHBondContact O-N 3.25Å; Y99-E102 WeakPolarHBondContact O-CB 3.26Å; Y99-E102 PolarHBondContact O-N 3.09Å; Y99-E102 VanDerWaalsContact O-N 3.16Å; Y99-F190 HydrophobicContact CD2-CB 3.9Å; Y99-F190 HydrophobicContact CD2-CD1 4.21Å; Y99-F190 HydrophobicContact CD2-CG 4.25Å; Y99-F190 HydrophobicContact CE2-CB 3.5Å; Y99-F190 VanDerWaalsContact CE2-CB 3.5Å; Y99-F190 AromaticContact CE2-CD1 3.69Å; Y99-F190 HydrophobicContact CE2-CD1 3.69Å; Y99-F190 HydrophobicContact CE2-CD2 4.17Å; Y99-F190 HydrophobicContact CE2-CE1 4.42Å; Y99-F190 AromaticContact CE2-CG 3.53Å; Y99-F190 HydrophobicContact CE2-CG 3.53Å; Y99-P491 HydrophobicContact CE1-CB 4.32Å
100	L	87.1	Confident	94.4	Very high	194 Å²	194	43.6 Å²	43.6	100%	1.016	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.4	177.8	-71.9	172.2	0	0	0	112.7
101	D	92.9	Very high	94.2	Very high	71 Å²	71	44.3 Å²	44.3	38%	0.38	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	16.9	179.3	71.9	-43.7	0	0	0	113.2	Y99 I103 N188	Y99-D101 WeakPolarHBondContact CB-OD1 3.3Å; Y99-D101 PolarHBondContact O-N 3.25Å; D101-I103 PolarHBondContact O-N 2.87Å; D101-N188 WeakPolarHBondContact OD2-CB 3.42Å; D101-N188 PolarHBondContact OD2-N 2.75Å
102	E	95.2	Very high	94.1	Very high	13 Å²	13	46.4 Å²	46.4	6%	0.061	25%	0.251	C	S	.	.			trans	-61.2	124.2	177.1	-178.1	173.9	-155.7	0	0	110.7	K93 P96 T97 Y98 Y99 K104	K93-E102 VanDerWaalsContact CD-OE1 3.26Å; K93-E102 WeakPolarHBondContact CD-OE1 3.34Å; K93-E102 WeakPolarHBondContact CE-OE1 3.32Å; K93-E102 IonicContact NZ-OE1 2.66Å; K93-E102 PolarHBondContact NZ-OE1 2.71Å; K93-E102 IonicContact NZ-OE2 4Å; P96-E102 VanDerWaalsContact C-OE2 3.3Å; P96-E102 WeakPolarHBondContact CA-OE2 3.41Å; P96-E102 HydrophobicContact CB-CB 3.86Å; P96-E102 HydrophobicContact CB-CG 3.68Å; T97-E102 PolarHBondContact N-OE2 3.15Å; Y98-E102 WeakPolarHBondContact CB-OE2 3.31Å; Y98-E102 PolarHBondContact N-OE2 3.13Å; Y99-E102 WeakPolarHBondContact O-CB 3.26Å; Y99-E102 PolarHBondContact O-N 3.09Å; Y99-E102 VanDerWaalsContact O-N 3.16Å; E102-K104 PolarHBondContact O-N 2.62Å
103	I	96.6	Very high	94	Very high	19 Å²	19	45.4 Å²	45.4	10%	0.097	24%	0.244	C	C	.	.			trans	-77.9	120.7	-169.6	-60	-178.8	0	0	0	109.2	Y75 D101 S105 I106 V124 F186	Y75-I103 PolarHBondContact OH-O 3.43Å; D101-I103 PolarHBondContact O-N 2.87Å; I103-S105 WeakPolarHBondContact CG2-O 3.41Å; I103-I106 HydrophobicContact CB-CG2 4.41Å; I103-I106 HydrophobicContact CG2-CG2 3.91Å; I103-V124 HydrophobicContact CD1-CG1 4.2Å; I103-V124 HydrophobicContact CD1-CG2 3.68Å; I103-V124 HydrophobicContact CG2-CG1 3.94Å; I103-V124 HydrophobicContact CG2-CG2 4.31Å; I103-F186 WeakPolarHBondContact CB-O 3.17Å; I103-F186 HydrophobicContact CD1-CD1 4.01Å; I103-F186 PolarHBondContact N-O 2.84Å
104	K	96.7	Very high	94	Very high	119 Å²	119	46.4 Å²	46.4	52%	0.517	25%	0.25	S	C	.	.	S	Bend	trans	-69.2	-40.5	-178	-175.4	171.5	-176.4	174.4	0	113.8	S92 K93 E102	S92-K104 CarbonylContact C-O 3.37Å; S92-K104 VanDerWaalsContact CA-O 3.26Å; S92-K104 WeakPolarHBondContact CA-O 3.33Å; K93-K104 PolarHBondContact N-O 3.3Å; K93-K104 WeakPolarHBondContact O-CG 3.32Å; E102-K104 PolarHBondContact O-N 2.62Å
105	S	97.7	Very high	94.1	Very high	60 Å²	60	44.3 Å²	44.3	42%	0.42	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119.5	-170.8	-165.2	0	0	0	0	110.3	L91 I103	L91-S105 WeakPolarHBondContact O-CA 3.34Å; I103-S105 WeakPolarHBondContact CG2-O 3.41Å
106	I	98.2	Very high	94.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	165.3	175.7	69.2	178.4	0	0	0	109.3	Y75 L91 I103 F122 T123 V124 L184 F186	Y75-I106 HydrophobicContact CD1-CD1 3.91Å; Y75-I106 HydrophobicContact CD1-CG1 3.89Å; Y75-I106 HydrophobicContact CD2-CD1 4.41Å; Y75-I106 HydrophobicContact CE1-CB 4.4Å; Y75-I106 HydrophobicContact CE1-CD1 3.59Å; Y75-I106 HydrophobicContact CE1-CG1 3.58Å; Y75-I106 HydrophobicContact CE1-CG2 4.11Å; Y75-I106 HydrophobicContact CE2-CD1 4.12Å; Y75-I106 HydrophobicContact CG-CD1 4.3Å; L91-I106 HydrophobicContact CB-CG1 3.76Å; L91-I106 HydrophobicContact CD1-CD1 4.14Å; L91-I106 HydrophobicContact CD1-CG1 4.09Å; L91-I106 HydrophobicContact CG-CG1 4.34Å; L91-I106 PolarHBondContact N-O 2.97Å; L91-I106 PolarHBondContact O-N 2.73Å; L91-I106 VanDerWaalsContact O-O 3.09Å; I103-I106 HydrophobicContact CB-CG2 4.41Å; I103-I106 HydrophobicContact CG2-CG2 3.91Å; I106-F122 HydrophobicContact CD1-CD1 4.16Å; I106-T123 CarbonylContact C-O 3.47Å; I106-T123 WeakPolarHBondContact CA-O 3.21Å; I106-T123 WeakPolarHBondContact CB-O 3.26Å; I106-V124 HydrophobicContact CG2-CG2 4.24Å; I106-L184 HydrophobicContact CD1-CD2 4.23Å; I106-F186 HydrophobicContact CD1-CB 4.49Å; I106-F186 HydrophobicContact CD1-CD2 3.99Å; I106-F186 HydrophobicContact CG2-CB 4.07Å; I106-F186 HydrophobicContact CG2-CD1 4.39Å; I106-F186 HydrophobicContact CG2-CD2 4.26Å; I106-F186 HydrophobicContact CG2-CG 3.99Å
107	A	98.2	Very high	94.8	Very high	6 Å²	6	40.5 Å²	40.5	5%	0.05	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	150.3	171.8	0	0	0	0	0	110	G89 F122 T123 P125	G89-A107 CarbonylContact O-C 3.57Å; G89-A107 VanDerWaalsContact O-CA 3.27Å; G89-A107 WeakPolarHBondContact O-CA 3.03Å; A107-F122 CarbonylContact O-C 3.53Å; A107-F122 WeakPolarHBondContact O-CA 3.36Å; A107-T123 PolarHBondContact N-O 2.73Å; A107-T123 PolarHBondContact O-N 3.31Å; A107-P125 HydrophobicContact CB-CG 3.69Å
108	V	98.4	Very high	95.3	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.5	169.1	63	0	0	0	0	109.4	I88 G89 L91 I110 I120 R121 F122 F159	I88-V108 CarbonylContact C-O 3.59Å; I88-V108 WeakPolarHBondContact CA-O 3.43Å; G89-V108 PolarHBondContact N-O 2.93Å; G89-V108 PolarHBondContact O-N 3.02Å; L91-V108 HydrophobicContact CD1-CB 4.09Å; L91-V108 HydrophobicContact CD1-CG1 3.98Å; L91-V108 HydrophobicContact CD2-CG1 4.13Å; L91-V108 HydrophobicContact CG-CG1 4.08Å; V108-I110 HydrophobicContact CG2-CG1 4.1Å; V108-I120 HydrophobicContact CG2-CG2 4.07Å; V108-R121 CarbonylContact C-O 3.58Å; V108-R121 VanDerWaalsContact CA-O 3.24Å; V108-R121 WeakPolarHBondContact CA-O 3.48Å; V108-F122 HydrophobicContact CB-CD1 3.83Å; V108-F122 HydrophobicContact CB-CE1 3.76Å; V108-F122 HydrophobicContact CB-CZ 4.46Å; V108-F122 HydrophobicContact CG2-CD1 3.9Å; V108-F122 HydrophobicContact CG2-CE1 3.55Å; V108-F122 HydrophobicContact CG2-CE2 4.25Å; V108-F122 HydrophobicContact CG2-CG 4.38Å; V108-F122 HydrophobicContact CG2-CZ 3.74Å; V108-F159 HydrophobicContact CB-CZ 4.4Å; V108-F159 HydrophobicContact CG1-CE2 3.99Å; V108-F159 HydrophobicContact CG1-CZ 4.13Å; V108-F159 HydrophobicContact CG2-CZ 4.22Å
109	E	97.7	Very high	95.8	Very high	48 Å²	48	38.7 Å²	38.7	22%	0.224	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.7	170.2	179.7	-171.5	-173.4	0	0	107.9	I88 I120 R121	I88-E109 HydrophobicContact CG1-CB 4.44Å; I88-E109 HydrophobicContact CG1-CG 4.2Å; E109-I120 CarbonylContact O-C 3.53Å; E109-I120 WeakPolarHBondContact O-CA 3.4Å; E109-R121 HydrophobicContact CB-CB 4.31Å; E109-R121 PolarHBondContact N-O 2.96Å; E109-R121 PolarHBondContact O-N 2.7Å; E109-R121 IonicContact OE2-CZ 3.13Å; E109-R121 IonicContact OE2-NH1 2.77Å; E109-R121 PolarHBondContact OE2-NH1 3.38Å
110	I	97.3	Very high	96.3	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.026	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	109.7	174.4	-57	167.2	0	0	0	106.2	G86 F87 V108 L118 R119 I120 V152 L161	G86-I110 CarbonylContact C-O 3.57Å; G86-I110 WeakPolarHBondContact CA-O 3.48Å; F87-I110 PolarHBondContact N-O 3.04Å; F87-I110 PolarHBondContact O-N 2.84Å; V108-I110 HydrophobicContact CG2-CG1 4.1Å; I110-L118 HydrophobicContact CG2-CD1 3.61Å; I110-R119 WeakPolarHBondContact CA-O 3.26Å; I110-I120 HydrophobicContact CG1-CG2 4.48Å; I110-V152 HydrophobicContact CD1-CG1 4.23Å; I110-V152 HydrophobicContact CG2-CG1 4.21Å; I110-V152 HydrophobicContact CG2-CG2 4.25Å; I110-L161 HydrophobicContact CD1-CD1 4.19Å; I110-L161 HydrophobicContact CD1-CD2 3.66Å; I110-L161 HydrophobicContact CG1-CD1 4.47Å
111	R	95.6	Very high	96.8	Very high	76 Å²	76	30 Å²	30	29%	0.287	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.8	-174.5	-174	175.3	-179.7	169.8	-0.9	111.2	H85 E113 L118 R119	H85-R111 HydrophobicContact CB-CG 4.2Å; H85-R111 CarbonylContact O-C 3.47Å; H85-R111 WeakPolarHBondContact O-CA 3.29Å; R111-E113 HydrophobicContact CG-CG 4.24Å; R111-E113 PolarHBondContact O-N 3.4Å; R111-L118 WeakPolarHBondContact O-CD1 3.35Å; R111-R119 HydrophobicContact CB-CB 4.48Å; R111-R119 PolarHBondContact N-O 2.79Å; R111-R119 PolarHBondContact O-N 3.45Å
112	E	95.6	Very high	97	Very high	45 Å²	45	26.7 Å²	26.7	21%	0.21	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	97.3	168.1	-57.8	175.6	174.2	0	0	107.9	H85 V145 Y150	H85-E112 WeakPolarHBondContact O-CB 3.38Å; H85-E112 PolarHBondContact O-N 3.15Å; E112-V145 HydrophobicContact CB-CG2 4.23Å; E112-V145 WeakPolarHBondContact O-CG2 3.48Å; E112-Y150 WeakPolarHBondContact CA-OH 3.15Å; E112-Y150 WeakPolarHBondContact CB-OH 3.4Å; E112-Y150 HydrophobicContact CG-CE2 4.04Å
113	E	95.4	Very high	97.2	Very high	5 Å²	5	27.8 Å²	27.8	2%	0.023	14%	0.139	C	C	.	.			trans	-84.7	-41.2	-176.9	-72.3	-162.2	159.8	0	0	112.5	R111 R117 R119 V140 D141	R111-E113 HydrophobicContact CG-CG 4.24Å; R111-E113 PolarHBondContact O-N 3.4Å; E113-R117 PolarHBondContact N-O 2.99Å; E113-R117 VanDerWaalsContact N-O 3.11Å; E113-R117 IonicContact OE2-CZ 3.41Å; E113-R117 IonicContact OE2-NE 2.63Å; E113-R117 PolarHBondContact OE2-NE 3.48Å; E113-R117 IonicContact OE2-NH2 3.66Å; E113-R117 PolarHBondContact OE2-NH2 3.35Å; E113-R117 VanDerWaalsContact OE2-NH2 3.11Å; E113-R119 HydrophobicContact CG-CB 3.99Å; E113-R119 WeakPolarHBondContact OE1-CD 3.2Å; E113-R119 IonicContact OE1-NH1 3.31Å; E113-V140 HydrophobicContact CB-CB 4.47Å; E113-V140 HydrophobicContact CB-CG1 3.99Å; E113-V140 HydrophobicContact CG-CG1 3.79Å; E113-D141 PolarHBondContact O-N 3.03Å
114	T	96	Very high	97.2	Very high	21 Å²	21	27 Å²	27	13%	0.129	14%	0.135	C	C	.	.	S	Bend	trans	-143.9	176.8	174.3	78.8	0	0	0	0	109.9	T116 R117 D141 Y150	T114-T116 PolarHBondContact O-N 3.32Å; T114-T116 VanDerWaalsContact O-N 3.1Å; T114-T116 PolarHBondContact OG1-N 2.89Å; T114-R117 HydrophobicContact CG2-CB 4.3Å; T114-R117 PolarHBondContact N-O 3.19Å; T114-R117 VanDerWaalsContact N-O 3.12Å; T114-R117 VanDerWaalsContact OG1-CB 3.28Å; T114-R117 WeakPolarHBondContact OG1-CB 3.36Å; T114-R117 PolarHBondContact OG1-N 3.3Å; T114-D141 WeakPolarHBondContact CA-OD2 3.47Å; T114-Y150 WeakPolarHBondContact O-CE1 3.49Å; T114-Y150 PolarHBondContact O-OH 3.43Å
115	S	95.1	Very high	97.2	Very high	36 Å²	36	24.6 Å²	24.6	25%	0.252	13%	0.132	S	C	.	.	S	Bend	trans	-60	-20.4	176.6	62.5	0	0	0	0	113.5	Q149 Y150	S115-Q149 WeakPolarHBondContact O-CB 3.34Å; S115-Q149 WeakPolarHBondContact O-CG 3.47Å; S115-Q149 PolarHBondContact O-N 2.9Å; S115-Y150 WeakPolarHBondContact O-CE1 3.3Å
116	T	96	Very high	97.1	Very high	20 Å²	20	26.3 Å²	26.3	12%	0.123	14%	0.144	C	C	.	.	S	Bend	trans	-126.5	-5.2	-176.5	55.1	0	0	0	0	114.5	T114 Q149 F288 T289	T114-T116 PolarHBondContact O-N 3.32Å; T114-T116 VanDerWaalsContact O-N 3.1Å; T114-T116 PolarHBondContact OG1-N 2.89Å; T116-Q149 HydrophobicContact CG2-CB 4.47Å; T116-Q149 HydrophobicContact CG2-CG 4.21Å; T116-F288 WeakPolarHBondContact O-CA 3.37Å; T116-T289 WeakPolarHBondContact CA-OG1 3.21Å; T116-T289 WeakPolarHBondContact CB-OG1 3.39Å; T116-T289 PolarHBondContact O-N 2.87Å; T116-T289 PolarHBondContact O-OG1 3.4Å
117	R	97.4	Very high	97	Very high	6 Å²	6	29.9 Å²	29.9	2%	0.023	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120.4	179.7	-169.2	170.5	74	-140.5	0.1	111.6	E113 T114 K139 Y150 F286 V287 F288 D302	E113-R117 PolarHBondContact N-O 2.99Å; E113-R117 VanDerWaalsContact N-O 3.11Å; E113-R117 IonicContact OE2-CZ 3.41Å; E113-R117 IonicContact OE2-NE 2.63Å; E113-R117 PolarHBondContact OE2-NE 3.48Å; E113-R117 IonicContact OE2-NH2 3.66Å; E113-R117 PolarHBondContact OE2-NH2 3.35Å; E113-R117 VanDerWaalsContact OE2-NH2 3.11Å; T114-R117 HydrophobicContact CG2-CB 4.3Å; T114-R117 PolarHBondContact N-O 3.19Å; T114-R117 VanDerWaalsContact N-O 3.12Å; T114-R117 VanDerWaalsContact OG1-CB 3.28Å; T114-R117 WeakPolarHBondContact OG1-CB 3.36Å; T114-R117 PolarHBondContact OG1-N 3.3Å; R117-K139 PolarHBondContact NH2-O 2.97Å; R117-Y150 PolarHBondContact O-OH 2.68Å; R117-F286 HydrophobicContact CG-CD1 4.41Å; R117-V287 WeakPolarHBondContact CA-O 3.35Å; R117-F288 HydrophobicContact CB-CD1 4.41Å; R117-F288 VanDerWaalsContact CD-CE1 3.45Å; R117-F288 HydrophobicContact CG-CD1 3.92Å; R117-F288 HydrophobicContact CG-CE1 3.8Å; R117-D302 PolarHBondContact NH1-O 3.3Å
118	L	97.8	Very high	96.8	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.7	173.5	174.8	65.4	0	0	0	109.4	I110 R111 I120 Y150 V152 I163 F286 V287	I110-L118 HydrophobicContact CG2-CD1 3.61Å; R111-L118 WeakPolarHBondContact O-CD1 3.35Å; L118-I120 HydrophobicContact CD2-CD1 4.04Å; L118-I120 HydrophobicContact CD2-CG1 4.12Å; L118-I120 HydrophobicContact CG-CG1 4.11Å; L118-Y150 HydrophobicContact CB-CD2 4.13Å; L118-Y150 HydrophobicContact CB-CE1 4.34Å; L118-Y150 HydrophobicContact CB-CE2 3.7Å; L118-Y150 HydrophobicContact CD1-CD2 4.42Å; L118-Y150 HydrophobicContact CD1-CE2 3.72Å; L118-Y150 HydrophobicContact CD2-CD2 4.29Å; L118-Y150 HydrophobicContact CD2-CE2 4.37Å; L118-Y150 HydrophobicContact CG-CE2 4.12Å; L118-V152 HydrophobicContact CD1-CG2 4.15Å; L118-V152 HydrophobicContact CD2-CG2 3.46Å; L118-V152 VanDerWaalsContact CD2-CG2 3.46Å; L118-V152 HydrophobicContact CG-CG2 4.44Å; L118-I163 HydrophobicContact CD2-CG1 3.85Å; L118-I163 HydrophobicContact CD2-CG2 4.15Å; L118-F286 CarbonylContact O-C 3.48Å; L118-F286 WeakPolarHBondContact O-CA 3.42Å; L118-V287 HydrophobicContact CB-CB 4.29Å; L118-V287 PolarHBondContact N-O 2.84Å; L118-V287 PolarHBondContact O-N 3.11Å
119	R	98.1	Very high	96.6	Very high	32 Å²	32	41.7 Å²	41.7	12%	0.121	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	136.9	171.4	-168.4	178.3	-178.7	-177.6	-3.1	111	I110 R111 E113 R121 D284 F285 F286	I110-R119 WeakPolarHBondContact CA-O 3.26Å; R111-R119 HydrophobicContact CB-CB 4.48Å; R111-R119 PolarHBondContact N-O 2.79Å; R111-R119 PolarHBondContact O-N 3.45Å; E113-R119 HydrophobicContact CG-CB 3.99Å; E113-R119 WeakPolarHBondContact OE1-CD 3.2Å; E113-R119 IonicContact OE1-NH1 3.31Å; R119-R121 HydrophobicContact CG-CG 4.03Å; R119-D284 WeakPolarHBondContact CG-OD1 3.28Å; R119-D284 IonicContact CZ-OD1 3.99Å; R119-D284 IonicContact CZ-OD2 3.39Å; R119-D284 IonicContact NE-OD1 2.65Å; R119-D284 PolarHBondContact NE-OD1 2.68Å; R119-D284 IonicContact NE-OD2 2.73Å; R119-D284 PolarHBondContact NE-OD2 2.95Å; R119-D284 IonicContact NH2-OD1 3.41Å; R119-D284 IonicContact NH2-OD2 3Å; R119-D284 PolarHBondContact NH2-OD2 2.83Å; R119-F285 CarbonylContact C-O 3.52Å; R119-F285 VanDerWaalsContact CA-O 3.28Å; R119-F285 WeakPolarHBondContact CA-O 3.43Å; R119-F286 HydrophobicContact CB-CD1 4.15Å; R119-F286 HydrophobicContact CB-CE1 4.17Å; R119-F286 VanDerWaalsContact CD-CE1 3.42Å; R119-F286 HydrophobicContact CG-CD1 3.99Å; R119-F286 HydrophobicContact CG-CE1 3.72Å; R119-F286 HydrophobicContact CG-CE2 4.45Å; R119-F286 HydrophobicContact CG-CG 4.5Å; R119-F286 HydrophobicContact CG-CZ 3.96Å; R119-F286 VanDerWaalsContact NE-CZ 3.28Å
120	I	98.5	Very high	96.6	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	109.6	-179.9	-51.9	170.1	0	0	0	107.9	V108 E109 I110 L118 F122 L161 I163 F285 V287	V108-I120 HydrophobicContact CG2-CG2 4.07Å; E109-I120 CarbonylContact O-C 3.53Å; E109-I120 WeakPolarHBondContact O-CA 3.4Å; I110-I120 HydrophobicContact CG1-CG2 4.48Å; L118-I120 HydrophobicContact CD2-CD1 4.04Å; L118-I120 HydrophobicContact CD2-CG1 4.12Å; L118-I120 HydrophobicContact CG-CG1 4.11Å; I120-F122 HydrophobicContact CG2-CD2 4.34Å; I120-F122 HydrophobicContact CG2-CE2 3.6Å; I120-F122 HydrophobicContact CG2-CZ 4.08Å; I120-L161 HydrophobicContact CD1-CD1 4.02Å; I120-L161 HydrophobicContact CG2-CD1 3.76Å; I120-I163 HydrophobicContact CD1-CD1 3.95Å; I120-I163 HydrophobicContact CD1-CG1 4.29Å; I120-F285 HydrophobicContact CB-CB 4.41Å; I120-F285 PolarHBondContact N-O 2.99Å; I120-F285 PolarHBondContact O-N 2.79Å; I120-V287 HydrophobicContact CD1-CG2 4.23Å
121	R	98.2	Very high	96.6	Very high	46 Å²	46	42.6 Å²	42.6	17%	0.174	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.1	-178	-61.1	172.8	79.1	-145.3	2.8	110.3	V108 E109 R119 E132 L283 D284	V108-R121 CarbonylContact C-O 3.58Å; V108-R121 VanDerWaalsContact CA-O 3.24Å; V108-R121 WeakPolarHBondContact CA-O 3.48Å; E109-R121 HydrophobicContact CB-CB 4.31Å; E109-R121 PolarHBondContact N-O 2.96Å; E109-R121 PolarHBondContact O-N 2.7Å; E109-R121 IonicContact OE2-CZ 3.13Å; E109-R121 IonicContact OE2-NH1 2.77Å; E109-R121 PolarHBondContact OE2-NH1 3.38Å; R119-R121 HydrophobicContact CG-CG 4.03Å; R121-E132 IonicContact CZ-OE2 3.85Å; R121-E132 IonicContact NE-OE2 2.73Å; R121-E132 IonicContact NH2-OE1 2.72Å; R121-E132 PolarHBondContact NH2-OE1 3.45Å; R121-E132 IonicContact NH2-OE2 2.71Å; R121-E132 PolarHBondContact NH2-OE2 2.82Å; R121-L283 CarbonylContact C-O 3.54Å; R121-L283 VanDerWaalsContact CA-O 3.32Å; R121-L283 WeakPolarHBondContact CA-O 3.42Å; R121-D284 HydrophobicContact CG-CB 4.39Å; R121-D284 VanDerWaalsContact CG-OD1 3.26Å; R121-D284 WeakPolarHBondContact CG-OD1 3.37Å; R121-D284 IonicContact NE-OD2 3.95Å
122	F	98.5	Very high	96.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.6	167.7	-58.4	-100.8	0	0	0	109.6	L91 I106 A107 V108 I120 F159 L184 F186 I193 I282 L283	L91-F122 HydrophobicContact CD1-CD1 4.18Å; L91-F122 HydrophobicContact CD1-CE1 3.98Å; I106-F122 HydrophobicContact CD1-CD1 4.16Å; A107-F122 CarbonylContact O-C 3.53Å; A107-F122 WeakPolarHBondContact O-CA 3.36Å; V108-F122 HydrophobicContact CB-CD1 3.83Å; V108-F122 HydrophobicContact CB-CE1 3.76Å; V108-F122 HydrophobicContact CB-CZ 4.46Å; V108-F122 HydrophobicContact CG2-CD1 3.9Å; V108-F122 HydrophobicContact CG2-CE1 3.55Å; V108-F122 HydrophobicContact CG2-CE2 4.25Å; V108-F122 HydrophobicContact CG2-CG 4.38Å; V108-F122 HydrophobicContact CG2-CZ 3.74Å; I120-F122 HydrophobicContact CG2-CD2 4.34Å; I120-F122 HydrophobicContact CG2-CE2 3.6Å; I120-F122 HydrophobicContact CG2-CZ 4.08Å; F122-F159 HydrophobicContact CE1-CD1 4.48Å; F122-F159 AromaticContact CE1-CE1 3.41Å; F122-F159 HydrophobicContact CE1-CE1 3.41Å; F122-F159 VanDerWaalsContact CE1-CE1 3.41Å; F122-F159 AromaticContact CE1-CZ 3.64Å; F122-F159 HydrophobicContact CE1-CZ 3.64Å; F122-F159 AromaticContact CZ-CE1 3.74Å; F122-F159 HydrophobicContact CZ-CE1 3.74Å; F122-F159 AromaticContact CZ-CZ 3.88Å; F122-F159 HydrophobicContact CZ-CZ 3.88Å; F122-L184 HydrophobicContact CD1-CD2 4.36Å; F122-L184 HydrophobicContact CE1-CD2 3.97Å; F122-F186 HydrophobicContact CB-CD2 4.41Å; F122-F186 HydrophobicContact CB-CE2 3.72Å; F122-I193 HydrophobicContact CE2-CD1 4.02Å; F122-I193 HydrophobicContact CZ-CD1 4.02Å; F122-I282 WeakPolarHBondContact O-CB 3.36Å; F122-L283 HydrophobicContact CB-CB 4.02Å; F122-L283 HydrophobicContact CB-CD1 4.41Å; F122-L283 HydrophobicContact CD2-CB 3.84Å; F122-L283 HydrophobicContact CD2-CD1 4.22Å; F122-L283 HydrophobicContact CG-CB 4.31Å; F122-L283 HydrophobicContact CG-CD1 4.39Å; F122-L283 PolarHBondContact N-O 2.8Å
123	T	98.2	Very high	96.8	Very high	37 Å²	37	40.7 Å²	40.7	23%	0.227	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	168.1	-175.7	57.7	0	0	0	0	110.6	I106 A107 I282	I106-T123 CarbonylContact C-O 3.47Å; I106-T123 WeakPolarHBondContact CA-O 3.21Å; I106-T123 WeakPolarHBondContact CB-O 3.26Å; A107-T123 PolarHBondContact N-O 2.73Å; A107-T123 PolarHBondContact O-N 3.31Å; T123-I282 HydrophobicContact CG2-CD1 4.22Å
124	V	97.7	Very high	96.8	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.012	25%	0.25	C	S	.	.			trans	-113.9	103	177	-178.7	0	0	0	0	107.2	I103 I106 S126 Q127 F186	I103-V124 HydrophobicContact CD1-CG1 4.2Å; I103-V124 HydrophobicContact CD1-CG2 3.68Å; I103-V124 HydrophobicContact CG2-CG1 3.94Å; I103-V124 HydrophobicContact CG2-CG2 4.31Å; I106-V124 HydrophobicContact CG2-CG2 4.24Å; V124-S126 WeakPolarHBondContact CG1-OG 3.28Å; V124-S126 PolarHBondContact O-N 2.89Å; V124-Q127 HydrophobicContact CB-CB 4.11Å; V124-Q127 HydrophobicContact CG1-CB 3.98Å; V124-Q127 HydrophobicContact CG1-CG 3.94Å; V124-Q127 CarbonylContact O-C 3.47Å; V124-Q127 WeakPolarHBondContact O-CA 3.35Å; V124-Q127 PolarHBondContact O-N 3.09Å; V124-F186 HydrophobicContact CG2-CD1 3.93Å; V124-F186 HydrophobicContact CG2-CE1 3.49Å; V124-F186 VanDerWaalsContact CG2-CE1 3.49Å; V124-F186 HydrophobicContact CG2-CZ 4.11Å
125	P	95.8	Very high	96.8	Very high	69 Å²	69	44.4 Å²	44.4	45%	0.448	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.3	-174.7	-29.7	36.3	0	0	0	114.8	A107 Q127	A107-P125 HydrophobicContact CB-CG 3.69Å; P125-Q127 VanDerWaalsContact C-N 3.29Å
126	S	95.7	Very high	96.8	Very high	96 Å²	96	46.3 Å²	46.3	67%	0.671	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-6.9	175.6	56	0	0	0	0	114.3	V124	V124-S126 WeakPolarHBondContact CG1-OG 3.28Å; V124-S126 PolarHBondContact O-N 2.89Å
127	Q	95.9	Very high	96.9	Very high	74 Å²	74	48.3 Å²	48.3	35%	0.346	27%	0.269	S	S	.	.			trans	-135.2	69.8	179.3	-57.6	175.4	9.9	0	0	109.1	V124 P125 D129 R130	V124-Q127 HydrophobicContact CB-CB 4.11Å; V124-Q127 HydrophobicContact CG1-CB 3.98Å; V124-Q127 HydrophobicContact CG1-CG 3.94Å; V124-Q127 CarbonylContact O-C 3.47Å; V124-Q127 WeakPolarHBondContact O-CA 3.35Å; V124-Q127 PolarHBondContact O-N 3.09Å; P125-Q127 VanDerWaalsContact C-N 3.29Å; Q127-D129 PolarHBondContact O-N 3.07Å; Q127-R130 HydrophobicContact CB-CG 3.92Å; Q127-R130 WeakPolarHBondContact O-CG 3.43Å
128	P	94.8	Very high	96.6	Very high	98 Å²	98	49.1 Å²	49.1	64%	0.636	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.6	-174.8	27.8	-35.6	0	0	0	113.5	R130	P128-R130 VanDerWaalsContact C-N 3.3Å; P128-R130 PolarHBondContact O-N 2.77Å
129	D	94.5	Very high	96.2	Very high	157 Å²	157	58.4 Å²	58.4	84%	0.84	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	22.4	-174.7	-50.7	-51.3	0	0	0	113.2	Q127	Q127-D129 PolarHBondContact O-N 3.07Å
130	R	97.1	Very high	95.9	Very high	29 Å²	29	58.5 Å²	58.5	11%	0.109	32%	0.324	C	S	.	.			trans	-61.5	146.8	173.3	-73.7	-174.7	73.3	77.5	6.5	109.8	Q127 P128 E132 N188 G281 I282	Q127-R130 HydrophobicContact CB-CG 3.92Å; Q127-R130 WeakPolarHBondContact O-CG 3.43Å; P128-R130 VanDerWaalsContact C-N 3.3Å; P128-R130 PolarHBondContact O-N 2.77Å; R130-E132 PolarHBondContact O-N 2.94Å; R130-N188 PolarHBondContact NH1-OD1 3.42Å; R130-N188 PolarHBondContact NH2-O 2.8Å; R130-G281 VanDerWaalsContact CZ-O 3.31Å; R130-G281 PolarHBondContact NE-O 3.38Å; R130-G281 PolarHBondContact NH2-O 2.86Å; R130-I282 HydrophobicContact CB-CG2 3.83Å
131	W	97.7	Very high	95.2	Very high	43 Å²	43	61.9 Å²	61.9	16%	0.163	34%	0.342	C	S	.	.			trans	-60	130.7	-174.9	176.9	-107.7	0	0	0	112.7	P134 S261 G281 T515 N519 M520 I523	W131-P134 HydrophobicContact CH2-CG 4.06Å; W131-P134 HydrophobicContact CZ2-CG 4.46Å; W131-S261 PolarHBondContact NE1-OG 3.41Å; W131-G281 WeakPolarHBondContact O-CA 3.47Å; W131-T515 HydrophobicContact CE3-CG2 4.31Å; W131-T515 HydrophobicContact CH2-CG2 3.85Å; W131-T515 HydrophobicContact CZ3-CG2 3.63Å; W131-N519 HydrophobicContact CD2-CB 3.63Å; W131-N519 HydrophobicContact CE3-CB 4.2Å; W131-N519 HydrophobicContact CG-CB 3.74Å; W131-N519 HydrophobicContact CZ2-CB 4.22Å; W131-N519 PolarHBondContact NE1-O 2.88Å; W131-M520 HydrophobicContact CH2-SD 3.39Å; W131-M520 WeakPolarHBondContact CH2-SD 3.47Å; W131-M520 HydrophobicContact CZ2-SD 3.74Å; W131-M520 HydrophobicContact CZ3-SD 4.39Å; W131-I523 HydrophobicContact CH2-CD1 4.45Å; W131-I523 HydrophobicContact CZ2-CD1 3.85Å
132	E	97.5	Very high	94	Very high	70 Å²	70	66.9 Å²	66.9	33%	0.327	37%	0.372	S	S	.	.			trans	-128.7	129.2	169.1	-64.8	-170.3	-127.4	0	0	107.8	R121 R130 I282	R121-E132 IonicContact CZ-OE2 3.85Å; R121-E132 IonicContact NE-OE2 2.73Å; R121-E132 IonicContact NH2-OE1 2.72Å; R121-E132 PolarHBondContact NH2-OE1 3.45Å; R121-E132 IonicContact NH2-OE2 2.71Å; R121-E132 PolarHBondContact NH2-OE2 2.82Å; R130-E132 PolarHBondContact O-N 2.94Å; E132-I282 VanDerWaalsContact CD-CD1 3.43Å; E132-I282 HydrophobicContact CG-CD1 3.62Å; E132-I282 HydrophobicContact CG-CG1 3.94Å; E132-I282 WeakPolarHBondContact OE2-CD1 3.25Å
133	P	97	Very high	92.9	Very high	12 Å²	12	70.2 Å²	70.2	8%	0.078	40%	0.4	C	S	.	.			trans	-59.2	125.7	179.8	-23.1	32.7	0	0	0	111.4	I135 L259 F553	P133-I135 PolarHBondContact O-N 3.28Å; P133-L259 HydrophobicContact CB-CD1 4.08Å; P133-L259 HydrophobicContact CG-CD1 4.09Å; P133-L259 HydrophobicContact CG-CG 4.3Å; P133-F553 HydrophobicContact CB-CE1 4.45Å
134	P	95.7	Very high	92	Very high	88 Å²	88	76 Å²	76	57%	0.571	42%	0.417	S	S	*	.			trans	-83.5	49.5	-172.9	35.2	-38.1	0	0	0	112.5	W131 I523	W131-P134 HydrophobicContact CH2-CG 4.06Å; W131-P134 HydrophobicContact CZ2-CG 4.46Å; P134-I523 HydrophobicContact CG-CD1 4.49Å
135	I	95.7	Very high	91.2	Very high	16 Å²	16	76.4 Å²	76.4	8%	0.082	42%	0.42	C	S	.	.			trans	-89	144.2	175.6	67.6	167.7	0	0	0	110.8	P133 L137 L259 Y526 F553 A554	P133-I135 PolarHBondContact O-N 3.28Å; I135-L137 HydrophobicContact CD1-CD2 4.08Å; I135-L137 HydrophobicContact CG1-CD2 4.02Å; I135-L137 PolarHBondContact O-N 2.89Å; I135-L259 HydrophobicContact CD1-CD1 3.63Å; I135-L259 HydrophobicContact CG1-CD1 3.95Å; I135-Y526 HydrophobicContact CG2-CD1 4.38Å; I135-Y526 HydrophobicContact CG2-CE1 3.88Å; I135-Y526 HydrophobicContact CG2-CE2 4.18Å; I135-F553 HydrophobicContact CD1-CD1 4.41Å; I135-F553 HydrophobicContact CD1-CE1 4.09Å; I135-F553 HydrophobicContact CG2-CD1 4.15Å; I135-F553 HydrophobicContact CG2-CE1 4.3Å; I135-A554 HydrophobicContact CD1-CB 4.41Å
136	P	95.9	Very high	90.6	Very high	76 Å²	76	81.1 Å²	81.1	49%	0.494	43%	0.433	S	S	.	.			trans	-61.3	132.5	170.9	-19.5	32.9	0	0	0	110.4	Y526	P136-Y526 WeakPolarHBondContact CD-OH 3.34Å
137	L	96.7	Very high	90.3	Very high	61 Å²	61	83.5 Å²	83.5	32%	0.319	44%	0.439	S	S	.	.			trans	-113.6	149	174.5	-61.2	176.7	0	0	0	110.2	I135 L259 F286 L303	I135-L137 HydrophobicContact CD1-CD2 4.08Å; I135-L137 HydrophobicContact CG1-CD2 4.02Å; I135-L137 PolarHBondContact O-N 2.89Å; L137-L259 HydrophobicContact CD1-CD2 3.84Å; L137-L259 HydrophobicContact CD2-CD2 4.12Å; L137-L259 HydrophobicContact CG-CD2 4.47Å; L137-F286 HydrophobicContact CD1-CZ 3.84Å; L137-L303 CarbonylContact C-O 3.5Å; L137-L303 HydrophobicContact CB-CD1 4.1Å; L137-L303 HydrophobicContact CD2-CD1 4.12Å; L137-L303 HydrophobicContact CD2-CG 4.23Å
138	G	92.8	Very high	90.1	Very high	23 Å²	23	81.1 Å²	81.1	24%	0.237	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-59.7	158.1	179.6	0	0	0	0	0	113	D302 L303	G138-D302 WeakPolarHBondContact CA-O 3.4Å; G138-L303 PolarHBondContact N-O 3.19Å
139	K	89.4	Confident	90.1	Very high	196 Å²	196	80.2 Å²	80.2	85%	0.852	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-64.4	149.4	-178.2	-65.5	-179.3	-179.1	179.3	0	111.2	R117	R117-K139 PolarHBondContact NH2-O 2.97Å
140	V	90.7	Very high	90.2	Very high	34 Å²	34	73.1 Å²	73.1	21%	0.206	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-96.7	159.6	169.3	-59.6	0	0	0	0	109.3	E113 D142	E113-V140 HydrophobicContact CB-CB 4.47Å; E113-V140 HydrophobicContact CB-CG1 3.99Å; E113-V140 HydrophobicContact CG-CG1 3.79Å; V140-D142 PolarHBondContact O-N 3.07Å
141	D	83.7	Confident	90.1	Very high	73 Å²	73	75.1 Å²	75.1	39%	0.39	39%	0.387	S	S	.	.			trans	-73.6	113	169.9	-70.6	-28	0	0	0	109.2	E113 T114 A143 V145	E113-D141 PolarHBondContact O-N 3.03Å; T114-D141 WeakPolarHBondContact CA-OD2 3.47Å; D141-A143 VanDerWaalsContact C-N 3.29Å; D141-A143 PolarHBondContact O-N 2.95Å; D141-V145 HydrophobicContact CB-CG2 4.17Å
142	D	72.3	Confident	90	Very high	150 Å²	150	74.3 Å²	74.3	80%	0.802	39%	0.387	S	S	*	.	S	Bend	trans	-66.6	-30.6	-176.8	-69.3	-38.7	0	0	0	112.9	V140	V140-D142 PolarHBondContact O-N 3.07Å
143	A	75.6	Confident	89.9	Confident	70 Å²	70	73.9 Å²	73.9	58%	0.579	39%	0.387	S	S	*	.	S	Bend	trans	-86.7	152.7	172.7	0	0	0	0	0	109.7	D141 V145	D141-A143 VanDerWaalsContact C-N 3.29Å; D141-A143 PolarHBondContact O-N 2.95Å; A143-V145 PolarHBondContact O-N 2.96Å
144	R	79.8	Confident	89.8	Confident	159 Å²	159	75.6 Å²	75.6	60%	0.6	40%	0.395	S	S	*	.			trans	-44.4	119.5	170.8	-176.4	176	177.9	-168.4	-4.4	110.3	K146	R144-K146 PolarHBondContact O-N 2.85Å
145	V	81.4	Confident	89.8	Confident	11 Å²	11	75.1 Å²	75.1	7%	0.067	39%	0.385	C	S	.	.			trans	-55.1	123.9	-175.1	-174.7	0	0	0	0	109.1	E112 D141 A143 V148	E112-V145 HydrophobicContact CB-CG2 4.23Å; E112-V145 WeakPolarHBondContact O-CG2 3.48Å; D141-V145 HydrophobicContact CB-CG2 4.17Å; A143-V145 PolarHBondContact O-N 2.96Å; V145-V148 HydrophobicContact CB-CG2 3.87Å; V145-V148 HydrophobicContact CG1-CG2 3.64Å
146	K	83.8	Confident	89.8	Confident	168 Å²	168	80.5 Å²	80.5	73%	0.73	41%	0.407	S	S	*	.	S	Bend	trans	-92.1	151.6	173.7	-64	-177.6	-176.8	175.6	0	109.1	R144 V148	R144-K146 PolarHBondContact O-N 2.85Å; K146-V148 VanDerWaalsContact C-N 3.28Å; K146-V148 PolarHBondContact O-N 3.47Å
147	D	88.4	Confident	89.8	Confident	146 Å²	146	81.1 Å²	81.1	78%	0.781	41%	0.414	S	S	*	.	S	Bend	trans	54.7	41.3	173	-51.5	-42.8	0	0	0	113.9	Q149	D147-Q149 WeakPolarHBondContact O-CG 3.4Å; D147-Q149 PolarHBondContact O-N 2.56Å
148	V	92.5	Very high	89.8	Confident	23 Å²	23	80.2 Å²	80.2	14%	0.139	41%	0.411	C	S	.	.			trans	-54.5	121.4	176.7	-174.9	0	0	0	0	110	V145 K146 Y150 N166	V145-V148 HydrophobicContact CB-CG2 3.87Å; V145-V148 HydrophobicContact CG1-CG2 3.64Å; K146-V148 VanDerWaalsContact C-N 3.28Å; K146-V148 PolarHBondContact O-N 3.47Å; V148-Y150 VanDerWaalsContact C-N 3.3Å; V148-Y150 HydrophobicContact CG1-CD1 3.87Å; V148-Y150 HydrophobicContact CG1-CD2 3.74Å; V148-Y150 HydrophobicContact CG1-CE1 3.68Å; V148-Y150 HydrophobicContact CG1-CE2 3.54Å; V148-Y150 HydrophobicContact CG1-CG 3.9Å; V148-Y150 WeakPolarHBondContact CG1-O 3.22Å; V148-Y150 PolarHBondContact O-N 3.29Å; V148-N166 PolarHBondContact O-ND2 3.42Å
149	Q	94.3	Very high	90	Very high	80 Å²	80	79.3 Å²	79.3	37%	0.374	40%	0.401	S	S	.	.			trans	-89.8	7.5	-174.4	-58.6	-166.1	-2	0	0	113.6	S115 T116 D147 N166	S115-Q149 WeakPolarHBondContact O-CB 3.34Å; S115-Q149 WeakPolarHBondContact O-CG 3.47Å; S115-Q149 PolarHBondContact O-N 2.9Å; T116-Q149 HydrophobicContact CG2-CB 4.47Å; T116-Q149 HydrophobicContact CG2-CG 4.21Å; D147-Q149 WeakPolarHBondContact O-CG 3.4Å; D147-Q149 PolarHBondContact O-N 2.56Å; Q149-N166 VanDerWaalsContact C-CB 3.42Å; Q149-N166 PolarHBondContact O-N 2.99Å
150	Y	95.7	Very high	90.4	Very high	7 Å²	7	70 Å²	70	3%	0.027	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	160.3	175.4	48.7	-87.2	0	0	0	112.1	E112 T114 S115 R117 L118 V148 V152 M164 T289	E112-Y150 WeakPolarHBondContact CA-OH 3.15Å; E112-Y150 WeakPolarHBondContact CB-OH 3.4Å; E112-Y150 HydrophobicContact CG-CE2 4.04Å; T114-Y150 WeakPolarHBondContact O-CE1 3.49Å; T114-Y150 PolarHBondContact O-OH 3.43Å; S115-Y150 WeakPolarHBondContact O-CE1 3.3Å; R117-Y150 PolarHBondContact O-OH 2.68Å; L118-Y150 HydrophobicContact CB-CD2 4.13Å; L118-Y150 HydrophobicContact CB-CE1 4.34Å; L118-Y150 HydrophobicContact CB-CE2 3.7Å; L118-Y150 HydrophobicContact CD1-CD2 4.42Å; L118-Y150 HydrophobicContact CD1-CE2 3.72Å; L118-Y150 HydrophobicContact CD2-CD2 4.29Å; L118-Y150 HydrophobicContact CD2-CE2 4.37Å; L118-Y150 HydrophobicContact CG-CE2 4.12Å; V148-Y150 VanDerWaalsContact C-N 3.3Å; V148-Y150 HydrophobicContact CG1-CD1 3.87Å; V148-Y150 HydrophobicContact CG1-CD2 3.74Å; V148-Y150 HydrophobicContact CG1-CE1 3.68Å; V148-Y150 HydrophobicContact CG1-CE2 3.54Å; V148-Y150 HydrophobicContact CG1-CG 3.9Å; V148-Y150 WeakPolarHBondContact CG1-O 3.22Å; V148-Y150 PolarHBondContact O-N 3.29Å; Y150-V152 HydrophobicContact CD2-CG2 4.25Å; Y150-M164 CarbonylContact C-O 3.58Å; Y150-M164 WeakPolarHBondContact CA-O 3.35Å; Y150-M164 WeakPolarHBondContact CB-O 3.4Å; Y150-T289 HydrophobicContact CD1-CG2 3.61Å; Y150-T289 HydrophobicContact CG-CG2 4.05Å
151	K	95.3	Very high	90.7	Very high	71 Å²	71	68.4 Å²	68.4	31%	0.309	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.1	170.1	-176.8	-179.8	-179.7	-117.6	0	108.7	D153 M164	K151-D153 WeakPolarHBondContact CE-OD1 3.28Å; K151-D153 VanDerWaalsContact NZ-CG 3.27Å; K151-D153 IonicContact NZ-OD1 2.76Å; K151-D153 PolarHBondContact NZ-OD1 3.07Å; K151-D153 IonicContact NZ-OD2 2.95Å; K151-D153 PolarHBondContact NZ-OD2 2.85Å; K151-M164 HydrophobicContact CB-CE 4.11Å; K151-M164 HydrophobicContact CD-CE 3.98Å; K151-M164 HydrophobicContact CG-CE 3.94Å; K151-M164 PolarHBondContact N-O 2.55Å; K151-M164 PolarHBondContact O-N 3.45Å
152	V	95.9	Very high	91.4	Very high	26 Å²	26	68.2 Å²	68.2	16%	0.158	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118.2	175.8	-171	0	0	0	0	109.1	I110 L118 Y150 L161 K162 I163	I110-V152 HydrophobicContact CD1-CG1 4.23Å; I110-V152 HydrophobicContact CG2-CG1 4.21Å; I110-V152 HydrophobicContact CG2-CG2 4.25Å; L118-V152 HydrophobicContact CD1-CG2 4.15Å; L118-V152 HydrophobicContact CD2-CG2 3.46Å; L118-V152 VanDerWaalsContact CD2-CG2 3.46Å; L118-V152 HydrophobicContact CG-CG2 4.44Å; Y150-V152 HydrophobicContact CD2-CG2 4.25Å; V152-L161 HydrophobicContact CG1-CD2 4.32Å; V152-K162 WeakPolarHBondContact CA-O 3.43Å; V152-I163 HydrophobicContact CG2-CG1 4.48Å
153	D	95.4	Very high	92.6	Very high	62 Å²	62	61.1 Å²	61.1	33%	0.332	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.9	170.2	-72.7	-10.2	0	0	0	109	K151 L161 K162 M164	K151-D153 WeakPolarHBondContact CE-OD1 3.28Å; K151-D153 VanDerWaalsContact NZ-CG 3.27Å; K151-D153 IonicContact NZ-OD1 2.76Å; K151-D153 PolarHBondContact NZ-OD1 3.07Å; K151-D153 IonicContact NZ-OD2 2.95Å; K151-D153 PolarHBondContact NZ-OD2 2.85Å; D153-L161 WeakPolarHBondContact O-CA 3.3Å; D153-K162 HydrophobicContact CB-CB 4.28Å; D153-K162 PolarHBondContact N-O 2.98Å; D153-K162 PolarHBondContact O-N 2.76Å; D153-M164 HydrophobicContact CB-CE 3.97Å; D153-M164 VanDerWaalsContact CG-CE 3.43Å; D153-M164 VanDerWaalsContact OD2-CE 3.23Å; D153-M164 WeakPolarHBondContact OD2-CE 3.32Å
154	M	95.7	Very high	93.6	Very high	48 Å²	48	58.1 Å²	58.1	24%	0.236	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	113.5	-180	179.9	176.2	62.8	0	0	110.2	V77 A80 F159 L161	V77-M154 HydrophobicContact CG1-CE 4.49Å; V77-M154 HydrophobicContact CG2-CE 4.47Å; V77-M154 HydrophobicContact CG2-CG 4.44Å; V77-M154 HydrophobicContact CG2-SD 4.08Å; A80-M154 HydrophobicContact CB-CE 3.66Å; M154-F159 HydrophobicContact CG-CD2 4.14Å; M154-F159 HydrophobicContact CG-CE2 3.92Å; M154-F159 HydrophobicContact SD-CD2 4.29Å; M154-F159 HydrophobicContact SD-CE2 3.89Å; M154-L161 HydrophobicContact CB-CD2 3.86Å; M154-L161 HydrophobicContact CG-CD2 3.86Å
155	E	96	Very high	94.4	Very high	78 Å²	78	51.5 Å²	51.5	36%	0.364	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	137.5	167.6	-163.3	169.1	160.4	0	0	109.1	P158 F159 G160 T177	E155-P158 CarbonylContact C-O 3.48Å; E155-P158 WeakPolarHBondContact CG-O 3.49Å; E155-F159 VanDerWaalsContact O-CA 3.32Å; E155-F159 WeakPolarHBondContact O-CA 3.46Å; E155-G160 PolarHBondContact N-O 3.36Å; E155-G160 PolarHBondContact O-N 2.97Å; E155-T177 HydrophobicContact CB-CG2 3.97Å; E155-T177 VanDerWaalsContact OE2-CB 3.31Å; E155-T177 WeakPolarHBondContact OE2-CB 3.47Å
156	K	95.5	Very high	95	Very high	128 Å²	128	55.5 Å²	55.5	56%	0.557	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	-32.1	-169.7	-66.7	-172.8	-178.9	-176.8	0	114.2	V76 V77 P158	V76-K156 WeakPolarHBondContact CA-O 3.26Å; V77-K156 HydrophobicContact CB-CB 4.04Å; V77-K156 HydrophobicContact CB-CG 4.16Å; V77-K156 HydrophobicContact CG2-CB 4.15Å; V77-K156 HydrophobicContact CG2-CG 4.19Å; V77-K156 PolarHBondContact N-O 2.91Å; K156-P158 CarbonylContact C-O 3.59Å
157	S	95.1	Very high	95.2	Very high	90 Å²	90	50 Å²	50	63%	0.629	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-155.4	98	-174.1	-179.9	0	0	0	0	110.3
158	P	95.8	Very high	95.1	Very high	41 Å²	41	52.1 Å²	52.1	27%	0.266	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	cis	-70.7	158	-0.5	34.4	-37.9	0	0	0	112.2	A74 E155 K156 A181	A74-P158 HydrophobicContact CB-CB 3.6Å; E155-P158 CarbonylContact C-O 3.48Å; E155-P158 WeakPolarHBondContact CG-O 3.49Å; K156-P158 CarbonylContact C-O 3.59Å; P158-A181 HydrophobicContact CB-CB 3.62Å; P158-A181 HydrophobicContact CG-CB 3.73Å
159	F	97.7	Very high	94.8	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.018	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	130.2	176.8	167.2	-95.2	0	0	0	110.7	Y75 V77 L91 V108 F122 M154 E155 L161 A181 L184	Y75-F159 VanDerWaalsContact O-CB 3.31Å; Y75-F159 WeakPolarHBondContact O-CB 3.45Å; Y75-F159 PolarHBondContact O-N 2.84Å; V77-F159 HydrophobicContact CG2-CB 4.35Å; V77-F159 HydrophobicContact CG2-CD2 3.65Å; V77-F159 HydrophobicContact CG2-CG 4.44Å; L91-F159 HydrophobicContact CD1-CD1 3.7Å; L91-F159 HydrophobicContact CD1-CD2 4.04Å; L91-F159 HydrophobicContact CD1-CE1 3.76Å; L91-F159 HydrophobicContact CD1-CE2 4.06Å; L91-F159 HydrophobicContact CD1-CG 3.84Å; L91-F159 HydrophobicContact CD1-CZ 3.92Å; L91-F159 HydrophobicContact CD2-CB 4.28Å; L91-F159 HydrophobicContact CD2-CD2 3.54Å; L91-F159 HydrophobicContact CD2-CE2 3.98Å; L91-F159 HydrophobicContact CD2-CG 3.84Å; L91-F159 HydrophobicContact CG-CD2 4.47Å; L91-F159 HydrophobicContact CG-CG 4.49Å; V108-F159 HydrophobicContact CB-CZ 4.4Å; V108-F159 HydrophobicContact CG1-CE2 3.99Å; V108-F159 HydrophobicContact CG1-CZ 4.13Å; V108-F159 HydrophobicContact CG2-CZ 4.22Å; F122-F159 HydrophobicContact CE1-CD1 4.48Å; F122-F159 AromaticContact CE1-CE1 3.41Å; F122-F159 HydrophobicContact CE1-CE1 3.41Å; F122-F159 VanDerWaalsContact CE1-CE1 3.41Å; F122-F159 AromaticContact CE1-CZ 3.64Å; F122-F159 HydrophobicContact CE1-CZ 3.64Å; F122-F159 AromaticContact CZ-CE1 3.74Å; F122-F159 HydrophobicContact CZ-CE1 3.74Å; F122-F159 AromaticContact CZ-CZ 3.88Å; F122-F159 HydrophobicContact CZ-CZ 3.88Å; M154-F159 HydrophobicContact CG-CD2 4.14Å; M154-F159 HydrophobicContact CG-CE2 3.92Å; M154-F159 HydrophobicContact SD-CD2 4.29Å; M154-F159 HydrophobicContact SD-CE2 3.89Å; E155-F159 VanDerWaalsContact O-CA 3.32Å; E155-F159 WeakPolarHBondContact O-CA 3.46Å; F159-L161 HydrophobicContact CE2-CD2 3.95Å; F159-L161 HydrophobicContact CE2-CG 4.28Å; F159-L161 HydrophobicContact CZ-CD1 4.14Å; F159-L161 HydrophobicContact CZ-CD2 3.99Å; F159-L161 HydrophobicContact CZ-CG 3.83Å; F159-A181 WeakPolarHBondContact O-CB 3.48Å; F159-L184 HydrophobicContact CD1-CD2 3.73Å; F159-L184 HydrophobicContact CE1-CD2 3.86Å
160	G	97.6	Very high	94.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	162.9	171.6	0	0	0	0	0	111.1	E155	E155-G160 PolarHBondContact N-O 3.36Å; E155-G160 PolarHBondContact O-N 2.97Å
161	L	97.8	Very high	94.1	Very high	1 Å²	1	60 Å²	60	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.8	-177.5	-59.9	177.2	0	0	0	110.5	I110 I120 V152 D153 M154 F159 I163 D175 S176	I110-L161 HydrophobicContact CD1-CD1 4.19Å; I110-L161 HydrophobicContact CD1-CD2 3.66Å; I110-L161 HydrophobicContact CG1-CD1 4.47Å; I120-L161 HydrophobicContact CD1-CD1 4.02Å; I120-L161 HydrophobicContact CG2-CD1 3.76Å; V152-L161 HydrophobicContact CG1-CD2 4.32Å; D153-L161 WeakPolarHBondContact O-CA 3.3Å; M154-L161 HydrophobicContact CB-CD2 3.86Å; M154-L161 HydrophobicContact CG-CD2 3.86Å; F159-L161 HydrophobicContact CE2-CD2 3.95Å; F159-L161 HydrophobicContact CE2-CG 4.28Å; F159-L161 HydrophobicContact CZ-CD1 4.14Å; F159-L161 HydrophobicContact CZ-CD2 3.99Å; F159-L161 HydrophobicContact CZ-CG 3.83Å; L161-I163 HydrophobicContact CB-CD1 3.89Å; L161-D175 WeakPolarHBondContact O-CA 3.29Å; L161-S176 PolarHBondContact N-OG 3.16Å; L161-S176 PolarHBondContact O-N 2.95Å; L161-S176 PolarHBondContact O-OG 3.17Å
162	K	97.7	Very high	94.1	Very high	70 Å²	70	58.8 Å²	58.8	30%	0.304	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.8	162.9	-72.3	-178.6	-173.6	178.4	0	109.1	V152 D153 L174 D175 T177	V152-K162 WeakPolarHBondContact CA-O 3.43Å; D153-K162 HydrophobicContact CB-CB 4.28Å; D153-K162 PolarHBondContact N-O 2.98Å; D153-K162 PolarHBondContact O-N 2.76Å; K162-L174 WeakPolarHBondContact CA-O 3.33Å; K162-D175 WeakPolarHBondContact CE-OD1 3.16Å; K162-D175 VanDerWaalsContact CE-OD2 3.29Å; K162-D175 WeakPolarHBondContact CE-OD2 3.42Å; K162-D175 HydrophobicContact CG-CB 4.27Å; K162-D175 WeakPolarHBondContact CG-OD1 2.93Å; K162-T177 HydrophobicContact CD-CG2 4.45Å; K162-T177 WeakPolarHBondContact CE-OG1 3.25Å; K162-T177 HydrophobicContact CG-CG2 3.88Å
163	I	98	Very high	94.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.5	174.1	-60.3	86.2	0	0	0	106.9	L118 I120 V152 L161 L173 L174 V287	L118-I163 HydrophobicContact CD2-CG1 3.85Å; L118-I163 HydrophobicContact CD2-CG2 4.15Å; I120-I163 HydrophobicContact CD1-CD1 3.95Å; I120-I163 HydrophobicContact CD1-CG1 4.29Å; V152-I163 HydrophobicContact CG2-CG1 4.48Å; L161-I163 HydrophobicContact CB-CD1 3.89Å; I163-L173 WeakPolarHBondContact O-CB 3.28Å; I163-L173 PolarHBondContact O-N 2.95Å; I163-L174 HydrophobicContact CB-CB 4.23Å; I163-L174 HydrophobicContact CD1-CB 3.99Å; I163-L174 HydrophobicContact CD1-CD1 4.34Å; I163-L174 PolarHBondContact N-O 2.86Å; I163-L174 PolarHBondContact O-N 2.85Å; I163-V287 HydrophobicContact CG2-CG1 4.27Å
164	M	97.4	Very high	94.3	Very high	7 Å²	7	54.7 Å²	54.7	3%	0.034	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	153.9	-177.6	-60.8	155.9	-72.3	0	0	110.1	Y150 K151 D153 Q170 D171 V172	Y150-M164 CarbonylContact C-O 3.58Å; Y150-M164 WeakPolarHBondContact CA-O 3.35Å; Y150-M164 WeakPolarHBondContact CB-O 3.4Å; K151-M164 HydrophobicContact CB-CE 4.11Å; K151-M164 HydrophobicContact CD-CE 3.98Å; K151-M164 HydrophobicContact CG-CE 3.94Å; K151-M164 PolarHBondContact N-O 2.55Å; K151-M164 PolarHBondContact O-N 3.45Å; D153-M164 HydrophobicContact CB-CE 3.97Å; D153-M164 VanDerWaalsContact CG-CE 3.43Å; D153-M164 VanDerWaalsContact OD2-CE 3.23Å; D153-M164 WeakPolarHBondContact OD2-CE 3.32Å; M164-Q170 HydrophobicContact SD-CB 4.21Å; M164-D171 CarbonylContact C-O 3.54Å; M164-D171 VanDerWaalsContact CA-O 3.25Å; M164-D171 WeakPolarHBondContact CA-O 3.26Å; M164-V172 HydrophobicContact CG-CB 4.22Å; M164-V172 HydrophobicContact CG-CG2 3.73Å; M164-V172 HydrophobicContact SD-CG2 4.37Å
165	R	95.4	Very high	94.4	Very high	20 Å²	20	53.6 Å²	53.6	8%	0.075	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	137.9	164.2	-156.7	180	-68.7	-72.9	-5.5	109.4	T167 D171 A253 T289	R165-T167 HydrophobicContact CB-CG2 4.37Å; R165-T167 HydrophobicContact CG-CG2 3.82Å; R165-T167 PolarHBondContact O-N 2.96Å; R165-D171 HydrophobicContact CB-CB 4.27Å; R165-D171 PolarHBondContact N-O 2.91Å; R165-A253 PolarHBondContact NH2-O 2.92Å; R165-T289 PolarHBondContact NH1-O 2.76Å; R165-T289 PolarHBondContact NH2-O 3.18Å
166	N	93.6	Very high	94.5	Very high	96 Å²	96	50 Å²	50	51%	0.513	26%	0.256	S	S	.	.	S	Bend	trans	-79.9	63.7	177.1	-165.9	18.2	0	0	0	110.6	V148 Q149	V148-N166 PolarHBondContact O-ND2 3.42Å; Q149-N166 VanDerWaalsContact C-CB 3.42Å; Q149-N166 PolarHBondContact O-N 2.99Å
167	T	88.5	Confident	94.6	Very high	52 Å²	52	44.6 Å²	44.6	32%	0.319	23%	0.233	S	C	.	.	S	Bend	trans	-118.1	172	172.8	68.4	0	0	0	0	110.3	R165 E169 Q170	R165-T167 HydrophobicContact CB-CG2 4.37Å; R165-T167 HydrophobicContact CG-CG2 3.82Å; R165-T167 PolarHBondContact O-N 2.96Å; T167-E169 WeakPolarHBondContact CB-OE2 3.4Å; T167-E169 PolarHBondContact O-N 2.98Å; T167-E169 PolarHBondContact OG1-OE2 3.2Å; T167-Q170 PolarHBondContact O-N 2.87Å; T167-Q170 VanDerWaalsContact O-N 3.12Å
168	E	86.5	Confident	94.4	Very high	190 Å²	190	42 Å²	42	89%	0.888	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-35.6	177.6	-65.1	-172.8	173.2	0	0	112.4	Q170	E168-Q170 VanDerWaalsContact C-N 3.27Å; E168-Q170 PolarHBondContact O-N 3.18Å
169	E	85.2	Confident	94.1	Very high	150 Å²	150	42 Å²	42	70%	0.701	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-12.8	179.3	-53.6	79.8	-173.8	0	0	113.6	T167 D171	T167-E169 WeakPolarHBondContact CB-OE2 3.4Å; T167-E169 PolarHBondContact O-N 2.98Å; T167-E169 PolarHBondContact OG1-OE2 3.2Å; E169-D171 VanDerWaalsContact C-N 3.33Å; E169-D171 PolarHBondContact O-N 2.77Å
170	Q	84.6	Confident	94	Very high	93 Å²	93	42.3 Å²	42.3	44%	0.435	22%	0.219	S	C	.	.			trans	48.2	52.4	-176.1	-63	-169.7	-29.8	0	0	112.9	M164 T167 E168 V172	M164-Q170 HydrophobicContact SD-CB 4.21Å; T167-Q170 PolarHBondContact O-N 2.87Å; T167-Q170 VanDerWaalsContact O-N 3.12Å; E168-Q170 VanDerWaalsContact C-N 3.27Å; E168-Q170 PolarHBondContact O-N 3.18Å; Q170-V172 PolarHBondContact O-N 3Å
171	D	91.3	Very high	93.9	Very high	32 Å²	32	42.4 Å²	42.4	17%	0.171	22%	0.22	C	C	.	.			trans	-59.8	108.1	-176.3	-170.4	18.9	0	0	0	111.6	M164 R165 E169 L173 N198 K248	M164-D171 CarbonylContact C-O 3.54Å; M164-D171 VanDerWaalsContact CA-O 3.25Å; M164-D171 WeakPolarHBondContact CA-O 3.26Å; R165-D171 HydrophobicContact CB-CB 4.27Å; R165-D171 PolarHBondContact N-O 2.91Å; E169-D171 VanDerWaalsContact C-N 3.33Å; E169-D171 PolarHBondContact O-N 2.77Å; D171-L173 PolarHBondContact O-N 2.88Å; D171-N198 PolarHBondContact OD1-ND2 2.64Å; D171-K248 IonicContact OD1-NZ 3.17Å; D171-K248 PolarHBondContact OD1-NZ 2.9Å; D171-K248 IonicContact OD2-NZ 3.71Å; D171-K248 PolarHBondContact OD2-NZ 3.33Å
172	V	95.9	Very high	93.7	Very high	47 Å²	47	42.6 Å²	42.6	29%	0.285	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	124.4	177.4	-178.9	0	0	0	0	108.7	M164 Q170 D175 N198	M164-V172 HydrophobicContact CG-CB 4.22Å; M164-V172 HydrophobicContact CG-CG2 3.73Å; M164-V172 HydrophobicContact SD-CG2 4.37Å; Q170-V172 PolarHBondContact O-N 3Å; V172-D175 HydrophobicContact CG1-CB 4.1Å; V172-N198 WeakPolarHBondContact O-CB 3.48Å; V172-N198 PolarHBondContact O-ND2 2.9Å
173	L	97.3	Very high	93.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-51.7	175.5	-52.3	-179.8	0	0	0	109.9	I163 D171 N198 F254 T289	I163-L173 WeakPolarHBondContact O-CB 3.28Å; I163-L173 PolarHBondContact O-N 2.95Å; D171-L173 PolarHBondContact O-N 2.88Å; L173-N198 PolarHBondContact O-N 2.94Å; L173-N198 VanDerWaalsContact O-N 3.14Å; L173-F254 HydrophobicContact CB-CB 4.48Å; L173-F254 HydrophobicContact CB-CD1 4.25Å; L173-F254 HydrophobicContact CB-CG 4.14Å; L173-F254 HydrophobicContact CD1-CB 4.07Å; L173-F254 HydrophobicContact CD2-CB 4.32Å; L173-F254 HydrophobicContact CD2-CD1 4.2Å; L173-F254 HydrophobicContact CD2-CG 4.45Å; L173-T289 HydrophobicContact CD1-CG2 4.19Å
174	L	97.7	Very high	93.5	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140	-176.8	-53.1	177.8	0	0	0	110.4	K162 I163 F195 R196 V197 F254 I256 V287	K162-L174 WeakPolarHBondContact CA-O 3.33Å; I163-L174 HydrophobicContact CB-CB 4.23Å; I163-L174 HydrophobicContact CD1-CB 3.99Å; I163-L174 HydrophobicContact CD1-CD1 4.34Å; I163-L174 PolarHBondContact N-O 2.86Å; I163-L174 PolarHBondContact O-N 2.85Å; L174-F195 HydrophobicContact CB-CD1 4.24Å; L174-F195 HydrophobicContact CD2-CB 4.47Å; L174-R196 WeakPolarHBondContact CA-O 3.37Å; L174-V197 HydrophobicContact CD2-CG1 3.87Å; L174-F254 HydrophobicContact CD2-CD2 4.08Å; L174-F254 HydrophobicContact CD2-CE2 3.47Å; L174-F254 VanDerWaalsContact CD2-CE2 3.47Å; L174-F254 HydrophobicContact CD2-CZ 4.08Å; L174-F254 HydrophobicContact CG-CE2 4.42Å; L174-I256 HydrophobicContact CD1-CD1 4.1Å; L174-I256 HydrophobicContact CD1-CG1 4.09Å; L174-I256 HydrophobicContact CD2-CD1 3.42Å; L174-I256 VanDerWaalsContact CD2-CD1 3.42Å; L174-I256 HydrophobicContact CD2-CG1 3.94Å; L174-I256 HydrophobicContact CG-CD1 4.43Å; L174-V287 HydrophobicContact CD1-CB 4.39Å; L174-V287 HydrophobicContact CD1-CG1 3.85Å; L174-V287 HydrophobicContact CD1-CG2 3.58Å
175	D	98.1	Very high	93.5	Very high	25 Å²	25	39.1 Å²	39.1	13%	0.134	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	116.3	176.8	-174.3	-2.4	0	0	0	110.7	L161 K162 V172 T177 L180 R196	L161-D175 WeakPolarHBondContact O-CA 3.29Å; K162-D175 WeakPolarHBondContact CE-OD1 3.16Å; K162-D175 VanDerWaalsContact CE-OD2 3.29Å; K162-D175 WeakPolarHBondContact CE-OD2 3.42Å; K162-D175 HydrophobicContact CG-CB 4.27Å; K162-D175 WeakPolarHBondContact CG-OD1 2.93Å; V172-D175 HydrophobicContact CG1-CB 4.1Å; D175-T177 VanDerWaalsContact OD1-CB 3.27Å; D175-T177 WeakPolarHBondContact OD1-CB 3.38Å; D175-T177 WeakPolarHBondContact OD1-CG2 3.41Å; D175-T177 PolarHBondContact OD1-N 3.25Å; D175-T177 PolarHBondContact OD1-OG1 3.13Å; D175-L180 WeakPolarHBondContact O-CD1 3.25Å; D175-R196 HydrophobicContact CB-CB 4.32Å; D175-R196 PolarHBondContact N-O 3.13Å; D175-R196 PolarHBondContact O-N 3.28Å
176	S	97.8	Very high	93.6	Very high	4 Å²	4	38.2 Å²	38.2	3%	0.028	20%	0.203	C	C	.	.			trans	-109.8	17.3	172.7	62.8	0	0	0	0	113.2	L161 L180 A181 S194	L161-S176 PolarHBondContact N-OG 3.16Å; L161-S176 PolarHBondContact O-N 2.95Å; L161-S176 PolarHBondContact O-OG 3.17Å; S176-L180 CarbonylContact O-C 3.59Å; S176-A181 WeakPolarHBondContact O-CA 3.35Å; S176-A181 PolarHBondContact O-N 2.95Å; S176-A181 VanDerWaalsContact O-N 3.16Å; S176-S194 VanDerWaalsContact CB-O 3.32Å; S176-S194 WeakPolarHBondContact CB-O 3.41Å
177	T	96.7	Very high	93.7	Very high	14 Å²	14	33.6 Å²	33.6	9%	0.086	18%	0.178	C	C	.	.			trans	-87.6	177.2	-177	68.8	0	0	0	0	113.8	E155 K162 D175 Q179 L180	E155-T177 HydrophobicContact CB-CG2 3.97Å; E155-T177 VanDerWaalsContact OE2-CB 3.31Å; E155-T177 WeakPolarHBondContact OE2-CB 3.47Å; K162-T177 HydrophobicContact CD-CG2 4.45Å; K162-T177 WeakPolarHBondContact CE-OG1 3.25Å; K162-T177 HydrophobicContact CG-CG2 3.88Å; D175-T177 VanDerWaalsContact OD1-CB 3.27Å; D175-T177 WeakPolarHBondContact OD1-CB 3.38Å; D175-T177 WeakPolarHBondContact OD1-CG2 3.41Å; D175-T177 PolarHBondContact OD1-N 3.25Å; D175-T177 PolarHBondContact OD1-OG1 3.13Å; T177-Q179 PolarHBondContact O-N 2.68Å; T177-L180 WeakPolarHBondContact O-CB 3.34Å; T177-L180 PolarHBondContact O-N 2.92Å
178	G	92.4	Very high	94	Very high	36 Å²	36	34.7 Å²	34.7	37%	0.371	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	60.8	-129.8	179	0	0	0	0	0	112.2	L180 A181	G178-L180 PolarHBondContact O-N 3.24Å; G178-A181 VanDerWaalsContact O-CB 3.24Å; G178-A181 WeakPolarHBondContact O-CB 3.42Å; G178-A181 PolarHBondContact O-N 3.18Å; G178-A181 VanDerWaalsContact O-N 3.14Å
179	Q	89.6	Confident	94.5	Very high	39 Å²	39	26.3 Å²	26.3	18%	0.182	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-62.2	-27.4	179.6	-173	-176.2	-8.5	0	0	113	Q32 T177 A181 S182	Q32-Q179 PolarHBondContact O-NE2 3.3Å; T177-Q179 PolarHBondContact O-N 2.68Å; Q179-A181 PolarHBondContact O-N 2.71Å; Q179-S182 PolarHBondContact O-N 2.77Å
180	L	95	Very high	95.1	Very high	11 Å²	11	19.1 Å²	19.1	6%	0.058	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-71	-20	178.8	-71.1	151.7	0	0	0	112.3	L34 D175 S176 T177 G178 S182 S183 R196 L271	L34-L180 HydrophobicContact CD1-CD2 3.63Å; L34-L180 HydrophobicContact CD1-CG 4.25Å; L34-L180 HydrophobicContact CD2-CD2 3.86Å; L34-L180 HydrophobicContact CG-CD2 4.32Å; D175-L180 WeakPolarHBondContact O-CD1 3.25Å; S176-L180 CarbonylContact O-C 3.59Å; T177-L180 WeakPolarHBondContact O-CB 3.34Å; T177-L180 PolarHBondContact O-N 2.92Å; G178-L180 PolarHBondContact O-N 3.24Å; L180-S182 PolarHBondContact O-N 2.79Å; L180-S183 WeakPolarHBondContact O-CB 3.35Å; L180-S183 PolarHBondContact O-N 2.67Å; L180-S183 PolarHBondContact O-OG 2.79Å; L180-R196 HydrophobicContact CD1-CB 3.58Å; L180-L271 HydrophobicContact CD1-CD2 4.4Å; L180-L271 HydrophobicContact CD2-CD2 4.15Å; L180-L271 HydrophobicContact CG-CD2 4.5Å
181	A	95.8	Very high	95.7	Very high	3 Å²	3	14.7 Å²	14.7	3%	0.025	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-60.6	-31.2	178.8	0	0	0	0	0	112.4	A74 P158 F159 S176 G178 Q179 S183 L184	A74-A181 HydrophobicContact CB-CB 4.21Å; P158-A181 HydrophobicContact CB-CB 3.62Å; P158-A181 HydrophobicContact CG-CB 3.73Å; F159-A181 WeakPolarHBondContact O-CB 3.48Å; S176-A181 WeakPolarHBondContact O-CA 3.35Å; S176-A181 PolarHBondContact O-N 2.95Å; S176-A181 VanDerWaalsContact O-N 3.16Å; G178-A181 VanDerWaalsContact O-CB 3.24Å; G178-A181 WeakPolarHBondContact O-CB 3.42Å; G178-A181 PolarHBondContact O-N 3.18Å; G178-A181 VanDerWaalsContact O-N 3.14Å; Q179-A181 PolarHBondContact O-N 2.71Å; A181-S183 PolarHBondContact O-N 3.45Å; A181-L184 PolarHBondContact O-N 3.37Å
182	S	92.9	Very high	96.1	Very high	4 Å²	4	13.2 Å²	13.2	3%	0.028	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-69.8	-15.3	176.3	-55.9	0	0	0	0	113.6	Y72 Q179 L180 L184	Y72-S182 PolarHBondContact O-OG 2.99Å; Q179-S182 PolarHBondContact O-N 2.77Å; L180-S182 PolarHBondContact O-N 2.79Å; S182-L184 PolarHBondContact O-N 3.45Å
183	S	94.6	Very high	96.2	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.007	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-71.2	-20.2	176.9	72.4	0	0	0	0	113.3	L180 A181 I185 Q192 S194	L180-S183 WeakPolarHBondContact O-CB 3.35Å; L180-S183 PolarHBondContact O-N 2.67Å; L180-S183 PolarHBondContact O-OG 2.79Å; A181-S183 PolarHBondContact O-N 3.45Å; S183-I185 PolarHBondContact O-N 2.71Å; S183-I185 VanDerWaalsContact O-N 3.1Å; S183-Q192 CarbonylContact O-C 3.59Å; S183-Q192 WeakPolarHBondContact O-CG 3.5Å; S183-Q192 PolarHBondContact O-NE2 2.94Å; S183-Q192 VanDerWaalsContact O-NE2 3.1Å; S183-S194 VanDerWaalsContact CB-OG 3.26Å; S183-S194 WeakPolarHBondContact CB-OG 3.24Å; S183-S194 WeakPolarHBondContact OG-CB 3.46Å; S183-S194 PolarHBondContact OG-N 3.47Å; S183-S194 PolarHBondContact OG-OG 3.11Å
184	L	97.2	Very high	96.2	Very high	4 Å²	4	11.1 Å²	11.1	2%	0.021	7%	0.068	C	C	.	.			trans	-70.1	104.9	178.1	-177.9	57.6	0	0	0	109.8	Y75 L91 K93 I106 F122 F159 A181 S182 Q192 I193 L283	Y75-L184 HydrophobicContact CD2-CB 4.17Å; Y75-L184 HydrophobicContact CD2-CD2 3.75Å; Y75-L184 HydrophobicContact CD2-CG 3.68Å; Y75-L184 HydrophobicContact CE2-CD2 4.37Å; Y75-L184 HydrophobicContact CE2-CG 3.94Å; Y75-L184 WeakPolarHBondContact CE2-O 3.48Å; Y75-L184 HydrophobicContact CG-CD2 4.17Å; L91-L184 HydrophobicContact CD1-CD2 4.44Å; K93-L184 PolarHBondContact NZ-O 2.9Å; I106-L184 HydrophobicContact CD1-CD2 4.23Å; F122-L184 HydrophobicContact CD1-CD2 4.36Å; F122-L184 HydrophobicContact CE1-CD2 3.97Å; F159-L184 HydrophobicContact CD1-CD2 3.73Å; F159-L184 HydrophobicContact CE1-CD2 3.86Å; A181-L184 PolarHBondContact O-N 3.37Å; S182-L184 PolarHBondContact O-N 3.45Å; L184-Q192 VanDerWaalsContact CA-O 3.3Å; L184-Q192 WeakPolarHBondContact CA-O 3.4Å; L184-I193 HydrophobicContact CD1-CB 4.24Å; L184-I193 HydrophobicContact CD1-CD1 4.22Å; L184-I193 HydrophobicContact CD1-CG1 4.38Å; L184-L283 HydrophobicContact CD1-CD1 3.82Å
185	I	96.8	Very high	96.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.9	177	-62.7	163.4	0	0	0	107.4	F68 Y98 S183 F190 L191 Q192	F68-I185 HydrophobicContact CE1-CD1 4.06Å; F68-I185 HydrophobicContact CZ-CD1 3.69Å; Y98-I185 HydrophobicContact CD1-CD1 3.84Å; Y98-I185 HydrophobicContact CD1-CG2 3.87Å; Y98-I185 HydrophobicContact CD2-CD1 3.43Å; Y98-I185 VanDerWaalsContact CD2-CD1 3.43Å; Y98-I185 HydrophobicContact CD2-CG1 4.41Å; Y98-I185 HydrophobicContact CE1-CD1 3.91Å; Y98-I185 HydrophobicContact CE2-CD1 3.51Å; Y98-I185 HydrophobicContact CG-CD1 3.6Å; Y98-I185 HydrophobicContact CG-CG1 4.27Å; Y98-I185 HydrophobicContact CG-CG2 4.13Å; S183-I185 PolarHBondContact O-N 2.71Å; S183-I185 VanDerWaalsContact O-N 3.1Å; I185-F190 HydrophobicContact CB-CD1 4.39Å; I185-F190 HydrophobicContact CB-CE1 4.32Å; I185-F190 HydrophobicContact CD1-CE1 4.12Å; I185-F190 HydrophobicContact CG2-CD1 3.81Å; I185-F190 HydrophobicContact CG2-CE1 4.13Å; I185-L191 WeakPolarHBondContact O-CA 3.49Å; I185-Q192 HydrophobicContact CB-CB 4.19Å; I185-Q192 PolarHBondContact N-O 3.26Å; I185-Q192 PolarHBondContact O-N 3.25Å
186	F	97.5	Very high	96.2	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	105.1	179.6	-140	-66.7	0	0	0	108.4	Y75 I103 I106 F122 V124 L191 L283	Y75-F186 VanDerWaalsContact OH-CB 3.25Å; Y75-F186 WeakPolarHBondContact OH-CB 3.44Å; I103-F186 WeakPolarHBondContact CB-O 3.17Å; I103-F186 HydrophobicContact CD1-CD1 4.01Å; I103-F186 PolarHBondContact N-O 2.84Å; I106-F186 HydrophobicContact CD1-CB 4.49Å; I106-F186 HydrophobicContact CD1-CD2 3.99Å; I106-F186 HydrophobicContact CG2-CB 4.07Å; I106-F186 HydrophobicContact CG2-CD1 4.39Å; I106-F186 HydrophobicContact CG2-CD2 4.26Å; I106-F186 HydrophobicContact CG2-CG 3.99Å; F122-F186 HydrophobicContact CB-CD2 4.41Å; F122-F186 HydrophobicContact CB-CE2 3.72Å; V124-F186 HydrophobicContact CG2-CD1 3.93Å; V124-F186 HydrophobicContact CG2-CE1 3.49Å; V124-F186 VanDerWaalsContact CG2-CE1 3.49Å; V124-F186 HydrophobicContact CG2-CZ 4.11Å; F186-L191 HydrophobicContact CD1-CD2 4.01Å; F186-L191 HydrophobicContact CD1-CG 4.21Å; F186-L191 HydrophobicContact CD2-CD2 4.31Å; F186-L191 HydrophobicContact CE1-CD2 3.44Å; F186-L191 VanDerWaalsContact CE1-CD2 3.44Å; F186-L191 HydrophobicContact CE1-CG 4.11Å; F186-L191 HydrophobicContact CE2-CD2 3.77Å; F186-L191 HydrophobicContact CG-CD2 4.43Å; F186-L191 HydrophobicContact CZ-CD2 3.32Å; F186-L191 HydrophobicContact CZ-CG 4.35Å; F186-L283 HydrophobicContact CD2-CD1 4.22Å; F186-L283 HydrophobicContact CE2-CD1 4.1Å; F186-L283 HydrophobicContact CE2-CG 4.04Å
187	S	96.5	Very high	96.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.084	C	C	.	.			trans	-123.9	173.7	172.9	-49.5	0	0	0	0	108.4	Q189 F190	S187-Q189 VanDerWaalsContact C-N 3.33Å; S187-Q189 PolarHBondContact O-N 3.43Å; S187-F190 WeakPolarHBondContact CA-O 3.36Å; S187-F190 WeakPolarHBondContact CB-O 2.99Å; S187-F190 PolarHBondContact N-O 2.81Å
188	N	95.2	Very high	96.1	Very high	74 Å²	74	17.7 Å²	17.7	40%	0.396	9%	0.093	S	C	.	.	S	Bend	trans	-63.5	-42.6	-177.1	-173.4	47.1	0	0	0	111.9	D101 R130	D101-N188 WeakPolarHBondContact OD2-CB 3.42Å; D101-N188 PolarHBondContact OD2-N 2.75Å; R130-N188 PolarHBondContact NH1-OD1 3.42Å; R130-N188 PolarHBondContact NH2-O 2.8Å
189	Q	96.9	Very high	96.3	Very high	14 Å²	14	16.1 Å²	16.1	7%	0.065	8%	0.077	C	C	.	.	S	Bend	trans	-118	22.8	-178.1	-63	-173.6	-100.8	0	0	114.1	S187 I279 T486 P491 Y518	S187-Q189 VanDerWaalsContact C-N 3.33Å; S187-Q189 PolarHBondContact O-N 3.43Å; Q189-I279 CarbonylContact C-O 3.51Å; Q189-I279 WeakPolarHBondContact CA-O 3.39Å; Q189-I279 WeakPolarHBondContact O-CA 3.3Å; Q189-T486 PolarHBondContact NE2-O 2.92Å; Q189-T486 PolarHBondContact OE1-OG1 2.97Å; Q189-T486 VanDerWaalsContact OE1-OG1 3.08Å; Q189-P491 HydrophobicContact CB-CG 4.12Å; Q189-Y518 PolarHBondContact NE2-OH 3.24Å
190	F	97.4	Very high	96.6	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.081	C	C	.	.			trans	-155.6	115.4	171.6	-174	-97.9	0	0	0	110.7	P38 Y98 Y99 I185 S187 Q192 R277 T278 Y492	P38-F190 HydrophobicContact CG-CE2 4.43Å; P38-F190 HydrophobicContact CG-CZ 4.3Å; Y98-F190 HydrophobicContact CD1-CD1 4.25Å; Y98-F190 HydrophobicContact CD1-CE1 4.21Å; Y98-F190 AromaticContact CE1-CD1 3.83Å; Y98-F190 HydrophobicContact CE1-CD1 3.83Å; Y98-F190 AromaticContact CE1-CE1 3.47Å; Y98-F190 HydrophobicContact CE1-CE1 3.47Å; Y98-F190 VanDerWaalsContact CE1-CE1 3.47Å; Y98-F190 HydrophobicContact CE1-CZ 4.1Å; Y99-F190 HydrophobicContact CD2-CB 3.9Å; Y99-F190 HydrophobicContact CD2-CD1 4.21Å; Y99-F190 HydrophobicContact CD2-CG 4.25Å; Y99-F190 HydrophobicContact CE2-CB 3.5Å; Y99-F190 VanDerWaalsContact CE2-CB 3.5Å; Y99-F190 AromaticContact CE2-CD1 3.69Å; Y99-F190 HydrophobicContact CE2-CD1 3.69Å; Y99-F190 HydrophobicContact CE2-CD2 4.17Å; Y99-F190 HydrophobicContact CE2-CE1 4.42Å; Y99-F190 AromaticContact CE2-CG 3.53Å; Y99-F190 HydrophobicContact CE2-CG 3.53Å; I185-F190 HydrophobicContact CB-CD1 4.39Å; I185-F190 HydrophobicContact CB-CE1 4.32Å; I185-F190 HydrophobicContact CD1-CE1 4.12Å; I185-F190 HydrophobicContact CG2-CD1 3.81Å; I185-F190 HydrophobicContact CG2-CE1 4.13Å; S187-F190 WeakPolarHBondContact CA-O 3.36Å; S187-F190 WeakPolarHBondContact CB-O 2.99Å; S187-F190 PolarHBondContact N-O 2.81Å; F190-Q192 HydrophobicContact CE1-CB 3.82Å; F190-Q192 HydrophobicContact CZ-CB 4.18Å; F190-R277 HydrophobicContact CE2-CB 4.42Å; F190-R277 HydrophobicContact CE2-CG 4.42Å; F190-R277 HydrophobicContact CZ-CG 4.29Å; F190-T278 WeakPolarHBondContact CA-O 3.17Å; F190-Y492 AromaticContact CD2-CD1 3.64Å; F190-Y492 HydrophobicContact CD2-CD1 3.64Å; F190-Y492 HydrophobicContact CD2-CD2 4.32Å; F190-Y492 HydrophobicContact CD2-CE1 4.35Å; F190-Y492 AromaticContact CD2-CG 3.61Å; F190-Y492 HydrophobicContact CD2-CG 3.61Å; F190-Y492 AromaticContact CE2-CD1 3.69Å; F190-Y492 HydrophobicContact CE2-CD1 3.69Å; F190-Y492 AromaticContact CE2-CD2 3.97Å; F190-Y492 HydrophobicContact CE2-CD2 3.97Å; F190-Y492 AromaticContact CE2-CE1 3.99Å; F190-Y492 HydrophobicContact CE2-CE1 3.99Å; F190-Y492 HydrophobicContact CE2-CE2 4.26Å; F190-Y492 AromaticContact CE2-CG 3.68Å; F190-Y492 HydrophobicContact CE2-CG 3.68Å
191	L	98.3	Very high	96.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.1	176.6	-55.7	83.1	0	0	0	107.7	I185 F186 R277 T278 G281 L283	I185-L191 WeakPolarHBondContact O-CA 3.49Å; F186-L191 HydrophobicContact CD1-CD2 4.01Å; F186-L191 HydrophobicContact CD1-CG 4.21Å; F186-L191 HydrophobicContact CD2-CD2 4.31Å; F186-L191 HydrophobicContact CE1-CD2 3.44Å; F186-L191 VanDerWaalsContact CE1-CD2 3.44Å; F186-L191 HydrophobicContact CE1-CG 4.11Å; F186-L191 HydrophobicContact CE2-CD2 3.77Å; F186-L191 HydrophobicContact CG-CD2 4.43Å; F186-L191 HydrophobicContact CZ-CD2 3.32Å; F186-L191 HydrophobicContact CZ-CG 4.35Å; L191-R277 CarbonylContact O-C 3.6Å; L191-R277 VanDerWaalsContact O-CA 3.3Å; L191-R277 WeakPolarHBondContact O-CA 3.09Å; L191-T278 HydrophobicContact CB-CG2 3.8Å; L191-T278 HydrophobicContact CD1-CG2 4.07Å; L191-T278 HydrophobicContact CG-CG2 4.36Å; L191-T278 PolarHBondContact N-O 3.17Å; L191-T278 PolarHBondContact O-N 3.32Å; L191-G281 WeakPolarHBondContact CD2-O 3.3Å; L191-L283 HydrophobicContact CB-CD2 3.82Å; L191-L283 HydrophobicContact CB-CG 4.19Å; L191-L283 HydrophobicContact CD2-CD2 4.33Å; L191-L283 HydrophobicContact CD2-CG 4.1Å
192	Q	98.2	Very high	96.7	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144.1	179.6	-173	-179.2	-96.9	0	0	111	S183 L184 I185 F190 T275 Y276 R277	S183-Q192 CarbonylContact O-C 3.59Å; S183-Q192 WeakPolarHBondContact O-CG 3.5Å; S183-Q192 PolarHBondContact O-NE2 2.94Å; S183-Q192 VanDerWaalsContact O-NE2 3.1Å; L184-Q192 VanDerWaalsContact CA-O 3.3Å; L184-Q192 WeakPolarHBondContact CA-O 3.4Å; I185-Q192 HydrophobicContact CB-CB 4.19Å; I185-Q192 PolarHBondContact N-O 3.26Å; I185-Q192 PolarHBondContact O-N 3.25Å; F190-Q192 HydrophobicContact CE1-CB 3.82Å; F190-Q192 HydrophobicContact CZ-CB 4.18Å; Q192-T275 HydrophobicContact CG-CG2 3.8Å; Q192-Y276 VanDerWaalsContact CA-O 3.25Å; Q192-Y276 WeakPolarHBondContact CA-O 3.15Å; Q192-Y276 WeakPolarHBondContact CG-O 3.47Å; Q192-R277 HydrophobicContact CB-CG 4.41Å; Q192-R277 HydrophobicContact CG-CG 3.92Å
193	I	98	Very high	96.8	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.01	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	145.6	163.6	-169.8	169.7	0	0	0	109.9	F122 L184 F195 Y276 L283 F285	F122-I193 HydrophobicContact CE2-CD1 4.02Å; F122-I193 HydrophobicContact CZ-CD1 4.02Å; L184-I193 HydrophobicContact CD1-CB 4.24Å; L184-I193 HydrophobicContact CD1-CD1 4.22Å; L184-I193 HydrophobicContact CD1-CG1 4.38Å; I193-F195 HydrophobicContact CD1-CE1 4.16Å; I193-F195 HydrophobicContact CD1-CE2 4.22Å; I193-F195 HydrophobicContact CD1-CZ 3.66Å; I193-F195 HydrophobicContact CG1-CE2 4.22Å; I193-F195 HydrophobicContact CG1-CZ 4.12Å; I193-F195 HydrophobicContact CG2-CE2 3.8Å; I193-F195 HydrophobicContact CG2-CZ 4.28Å; I193-Y276 PolarHBondContact N-O 2.94Å; I193-Y276 VanDerWaalsContact N-O 3.16Å; I193-Y276 PolarHBondContact O-N 2.8Å; I193-L283 HydrophobicContact CB-CD1 4.25Å; I193-L283 HydrophobicContact CG2-CD1 4.18Å; I193-F285 HydrophobicContact CG2-CE2 3.53Å; I193-F285 HydrophobicContact CG2-CZ 3.4Å; I193-F285 VanDerWaalsContact CG2-CZ 3.4Å
194	S	97.9	Very high	96.8	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.007	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	143.7	175.1	-55.8	0	0	0	0	111.5	S176 S183 I274 T275	S176-S194 VanDerWaalsContact CB-O 3.32Å; S176-S194 WeakPolarHBondContact CB-O 3.41Å; S183-S194 VanDerWaalsContact CB-OG 3.26Å; S183-S194 WeakPolarHBondContact CB-OG 3.24Å; S183-S194 WeakPolarHBondContact OG-CB 3.46Å; S183-S194 PolarHBondContact OG-N 3.47Å; S183-S194 PolarHBondContact OG-OG 3.11Å; S194-I274 CarbonylContact C-O 3.49Å; S194-I274 VanDerWaalsContact CA-O 3.32Å; S194-I274 WeakPolarHBondContact CA-O 3.45Å; S194-T275 WeakPolarHBondContact CB-OG1 3.33Å; S194-T275 WeakPolarHBondContact OG-CB 3.45Å; S194-T275 VanDerWaalsContact OG-CG2 3.3Å; S194-T275 WeakPolarHBondContact OG-CG2 3.14Å; S194-T275 PolarHBondContact OG-OG1 2.56Å
195	F	98	Very high	96.7	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.009	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.9	170.3	-58.6	-84.2	0	0	0	109	L174 I193 A273 I274 Y276 F285	L174-F195 HydrophobicContact CB-CD1 4.24Å; L174-F195 HydrophobicContact CD2-CB 4.47Å; I193-F195 HydrophobicContact CD1-CE1 4.16Å; I193-F195 HydrophobicContact CD1-CE2 4.22Å; I193-F195 HydrophobicContact CD1-CZ 3.66Å; I193-F195 HydrophobicContact CG1-CE2 4.22Å; I193-F195 HydrophobicContact CG1-CZ 4.12Å; I193-F195 HydrophobicContact CG2-CE2 3.8Å; I193-F195 HydrophobicContact CG2-CZ 4.28Å; F195-A273 CarbonylContact O-C 3.59Å; F195-A273 WeakPolarHBondContact O-CA 3.22Å; F195-A273 WeakPolarHBondContact O-CB 3.27Å; F195-I274 HydrophobicContact CB-CG2 4.08Å; F195-I274 PolarHBondContact N-O 3.24Å; F195-I274 PolarHBondContact O-N 2.72Å; F195-Y276 HydrophobicContact CD2-CD2 4.2Å; F195-Y276 HydrophobicContact CD2-CE2 4.04Å; F195-Y276 HydrophobicContact CE2-CD2 4.24Å; F195-Y276 HydrophobicContact CE2-CE2 4.26Å; F195-F285 HydrophobicContact CE2-CD1 4.44Å; F195-F285 HydrophobicContact CE2-CE1 4.16Å; F195-F285 HydrophobicContact CE2-CE2 4.26Å; F195-F285 HydrophobicContact CE2-CZ 4.07Å; F195-F285 HydrophobicContact CZ-CD2 4.45Å; F195-F285 HydrophobicContact CZ-CE2 4.42Å
196	R	97.9	Very high	96.6	Very high	125 Å²	125	16.2 Å²	16.2	47%	0.472	8%	0.076	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	136.8	157.7	-176	176.5	-171.8	-161.6	-3.9	108.1	L174 D175 L180 L271 P272	L174-R196 WeakPolarHBondContact CA-O 3.37Å; D175-R196 HydrophobicContact CB-CB 4.32Å; D175-R196 PolarHBondContact N-O 3.13Å; D175-R196 PolarHBondContact O-N 3.28Å; L180-R196 HydrophobicContact CD1-CB 3.58Å; R196-L271 PolarHBondContact NE-O 2.85Å; R196-P272 WeakPolarHBondContact CA-O 3.49Å; R196-P272 WeakPolarHBondContact CG-O 3.38Å
197	V	97.3	Very high	96.5	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.018	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.8	-177.2	-66	0	0	0	0	110.5	L174 A199 F216 F244 F254 I256 P272 I274	L174-V197 HydrophobicContact CD2-CG1 3.87Å; V197-A199 PolarHBondContact O-N 2.88Å; V197-F216 HydrophobicContact CG2-CD1 4.44Å; V197-F216 HydrophobicContact CG2-CE1 3.51Å; V197-F216 HydrophobicContact CG2-CZ 3.58Å; V197-F244 HydrophobicContact CG1-CE1 4.23Å; V197-F244 HydrophobicContact CG1-CZ 4.39Å; V197-F244 HydrophobicContact CG2-CZ 4.33Å; V197-F254 HydrophobicContact CB-CZ 3.9Å; V197-F254 HydrophobicContact CG1-CE2 4.41Å; V197-F254 HydrophobicContact CG1-CZ 4.05Å; V197-I256 HydrophobicContact CG1-CD1 4.5Å; V197-P272 HydrophobicContact CG2-CB 4Å; V197-P272 WeakPolarHBondContact CG2-O 3.43Å; V197-P272 PolarHBondContact N-O 2.75Å; V197-P272 WeakPolarHBondContact O-CG 3.22Å; V197-I274 HydrophobicContact CG1-CG2 3.83Å
198	N	95.2	Very high	96.3	Very high	51 Å²	51	16.3 Å²	16.3	27%	0.273	8%	0.076	S	C	.	.			trans	-95.9	74.8	174.7	-167.3	7.9	0	0	0	110.5	D171 V172 L173 K248	D171-N198 PolarHBondContact OD1-ND2 2.64Å; V172-N198 WeakPolarHBondContact O-CB 3.48Å; V172-N198 PolarHBondContact O-ND2 2.9Å; L173-N198 PolarHBondContact O-N 2.94Å; L173-N198 VanDerWaalsContact O-N 3.14Å; N198-K248 PolarHBondContact ND2-NZ 3.14Å; N198-K248 WeakPolarHBondContact O-CD 3.49Å; N198-K248 WeakPolarHBondContact O-CG 3.27Å
199	A	96.3	Very high	96	Very high	4 Å²	4	14.3 Å²	14.3	3%	0.033	6%	0.064	C	C	.	.			trans	-142.6	157.3	178.9	0	0	0	0	0	109.9	V197 F216 F254	V197-A199 PolarHBondContact O-N 2.88Å; A199-F216 HydrophobicContact CB-CE2 3.87Å; A199-F216 HydrophobicContact CB-CZ 4.11Å; A199-F216 WeakPolarHBondContact O-CE2 3.29Å; A199-F254 HydrophobicContact CB-CE1 4.24Å
200	Q	95.4	Very high	95.3	Very high	57 Å²	57	14.3 Å²	14.3	27%	0.266	7%	0.065	S	C	.	.	S	Bend	trans	-105.5	-27	173.6	-73.6	88.3	33.3	0	0	113.2	L247 Y249	Q200-L247 PolarHBondContact N-O 2.79Å; Q200-Y249 HydrophobicContact CB-CD1 3.62Å; Q200-Y249 HydrophobicContact CB-CE1 3.28Å; Q200-Y249 HydrophobicContact CB-CE2 4.31Å; Q200-Y249 HydrophobicContact CB-CG 4.31Å; Q200-Y249 HydrophobicContact CG-CD1 3.78Å; Q200-Y249 HydrophobicContact CG-CD2 3.85Å; Q200-Y249 HydrophobicContact CG-CE1 3.52Å; Q200-Y249 HydrophobicContact CG-CE2 3.57Å; Q200-Y249 HydrophobicContact CG-CG 3.98Å; Q200-Y249 VanDerWaalsContact CG-CZ 3.42Å
201	V	96.5	Very high	94.6	Very high	5 Å²	5	18.7 Å²	18.7	3%	0.03	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	161.3	167.4	-60.6	0	0	0	0	109.4	F203 P213 N214 L247 H688	V201-F203 HydrophobicContact CG2-CE2 4.25Å; V201-F203 HydrophobicContact CG2-CZ 4.23Å; V201-P213 HydrophobicContact CB-CB 3.95Å; V201-P213 HydrophobicContact CB-CG 3.97Å; V201-P213 HydrophobicContact CG1-CB 4.47Å; V201-P213 HydrophobicContact CG1-CG 3.93Å; V201-P213 HydrophobicContact CG2-CB 4.39Å; V201-N214 WeakPolarHBondContact CA-O 3.3Å; V201-L247 HydrophobicContact CG2-CB 3.98Å; V201-L247 HydrophobicContact CG2-CD2 4.14Å; V201-L247 HydrophobicContact CG2-CG 4.37Å; V201-L247 PolarHBondContact N-O 3.35Å; V201-L247 PolarHBondContact O-N 3.43Å; V201-H688 HydrophobicContact CG2-CB 4.11Å
202	S	96.3	Very high	94.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	165.8	174.7	61.8	0	0	0	0	113.5	P213 N214 F244 M245	S202-P213 WeakPolarHBondContact O-CB 3.47Å; S202-N214 PolarHBondContact N-O 3.27Å; S202-N214 WeakPolarHBondContact O-CB 3.38Å; S202-N214 PolarHBondContact O-N 2.78Å; S202-N214 VanDerWaalsContact OG-CB 3.22Å; S202-N214 WeakPolarHBondContact OG-CB 3.24Å; S202-F244 VanDerWaalsContact CB-CZ 3.4Å; S202-F244 VanDerWaalsContact OG-CE2 3.27Å; S202-F244 WeakPolarHBondContact OG-CE2 3.05Å; S202-M245 CarbonylContact C-O 3.53Å; S202-M245 WeakPolarHBondContact CA-O 3.44Å; S202-M245 WeakPolarHBondContact CB-O 3.46Å
203	F	96.2	Very high	94	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.009	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	145.8	-178.4	-51.6	-85.7	0	0	0	109.6	V201 Y212 P213 F244 M245 L247 M586 A678 F679	V201-F203 HydrophobicContact CG2-CE2 4.25Å; V201-F203 HydrophobicContact CG2-CZ 4.23Å; F203-Y212 HydrophobicContact CD1-CD2 4.36Å; F203-Y212 HydrophobicContact CD1-CE1 4.3Å; F203-Y212 AromaticContact CD1-CE2 3.51Å; F203-Y212 HydrophobicContact CD1-CE2 3.51Å; F203-Y212 AromaticContact CD1-CZ 3.44Å; F203-Y212 VanDerWaalsContact CD1-CZ 3.44Å; F203-Y212 WeakPolarHBondContact CD1-OH 3.29Å; F203-Y212 HydrophobicContact CE1-CE1 4.07Å; F203-Y212 HydrophobicContact CE1-CE2 4.12Å; F203-Y212 AromaticContact CE1-CZ 3.6Å; F203-Y212 VanDerWaalsContact CE1-OH 3.31Å; F203-Y212 WeakPolarHBondContact CE1-OH 3.29Å; F203-P213 HydrophobicContact CD1-CB 4.27Å; F203-P213 HydrophobicContact CE1-CB 3.8Å; F203-P213 HydrophobicContact CZ-CB 4.23Å; F203-F244 WeakPolarHBondContact O-CA 3.46Å; F203-M245 HydrophobicContact CB-CB 4.41Å; F203-M245 HydrophobicContact CB-CE 4.29Å; F203-M245 HydrophobicContact CD2-CB 4.49Å; F203-M245 HydrophobicContact CD2-CE 3.61Å; F203-M245 HydrophobicContact CE2-CE 4.25Å; F203-M245 HydrophobicContact CG-CE 4.1Å; F203-M245 PolarHBondContact N-O 3.5Å; F203-M245 PolarHBondContact O-N 3.08Å; F203-L247 HydrophobicContact CE2-CB 3.93Å; F203-L247 HydrophobicContact CE2-CD2 3.92Å; F203-L247 HydrophobicContact CZ-CD2 4.18Å; F203-M586 HydrophobicContact CB-CE 3.98Å; F203-M586 HydrophobicContact CB-SD 3.64Å; F203-A678 HydrophobicContact CZ-CB 4.15Å; F203-F679 AromaticContact CD1-CE1 3.86Å; F203-F679 HydrophobicContact CD1-CE1 3.86Å; F203-F679 AromaticContact CD1-CZ 3.91Å; F203-F679 HydrophobicContact CD1-CZ 3.91Å; F203-F679 AromaticContact CD2-CE1 3.83Å; F203-F679 HydrophobicContact CD2-CE1 3.83Å; F203-F679 HydrophobicContact CD2-CZ 4.36Å; F203-F679 AromaticContact CE1-CE1 3.75Å; F203-F679 HydrophobicContact CE1-CE1 3.75Å; F203-F679 HydrophobicContact CE1-CZ 4.19Å; F203-F679 AromaticContact CE2-CE1 3.74Å; F203-F679 HydrophobicContact CE2-CE1 3.74Å; F203-F679 AromaticContact CG-CE1 3.89Å; F203-F679 HydrophobicContact CG-CE1 3.89Å; F203-F679 AromaticContact CG-CZ 3.99Å; F203-F679 HydrophobicContact CG-CZ 3.99Å; F203-F679 AromaticContact CZ-CE1 3.69Å; F203-F679 HydrophobicContact CZ-CE1 3.69Å
204	G	94.4	Very high	93.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.088	C	C	.	.			trans	64.9	-177.6	-167.6	0	0	0	0	0	113	N214 F243	G204-N214 PolarHBondContact O-ND2 3.34Å; G204-F243 WeakPolarHBondContact CA-O 3.46Å
205	P	95	Very high	93.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.095	C	C	.	.			cis	-70.6	178.2	-6.7	33.5	-38.1	0	0	0	112.6	Q210 L224 H241 F243 V266	P205-Q210 PolarHBondContact O-NE2 2.92Å; P205-L224 HydrophobicContact CB-CD1 4.21Å; P205-H241 WeakPolarHBondContact CA-O 3.35Å; P205-H241 WeakPolarHBondContact CB-O 3.14Å; P205-F243 WeakPolarHBondContact CA-O 3.39Å; P205-V266 HydrophobicContact CG-CB 3.99Å; P205-V266 HydrophobicContact CG-CG1 4.14Å; P205-V266 HydrophobicContact CG-CG2 4.01Å
206	G	93.8	Very high	93.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	179.6	176	0	0	0	0	0	111.7	L224 H241	G206-L224 VanDerWaalsContact O-CD2 3.22Å; G206-L224 WeakPolarHBondContact O-CD2 3.18Å; G206-H241 PolarHBondContact N-O 2.97Å; G206-H241 CarbonylContact O-C 3.48Å; G206-H241 WeakPolarHBondContact O-CA 3.31Å; G206-H241 PolarHBondContact O-N 3.03Å
207	E	95.5	Very high	92.8	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-88	115.3	-0.1	-170.9	-178.2	-178.9	0	0	111.2	L237 Y238 G239 H562 F584	E207-L237 HydrophobicContact CB-CB 4.33Å; E207-L237 HydrophobicContact CG-CB 3.99Å; E207-L237 HydrophobicContact CG-CD1 4.2Å; E207-L237 PolarHBondContact O-N 2.98Å; E207-Y238 WeakPolarHBondContact OE1-CD2 3.16Å; E207-Y238 WeakPolarHBondContact OE2-CB 3.42Å; E207-Y238 WeakPolarHBondContact OE2-CD2 3.42Å; E207-Y238 PolarHBondContact OE2-N 2.95Å; E207-G239 WeakPolarHBondContact CB-O 3.38Å; E207-G239 PolarHBondContact N-O 2.7Å; E207-G239 PolarHBondContact OE2-N 2.6Å; E207-H562 IonicContact OE1-NE2 3.73Å; E207-H562 IonicContact OE2-CE1 3.96Å; E207-H562 IonicContact OE2-NE2 2.8Å; E207-F584 HydrophobicContact CB-CZ 4.16Å; E207-F584 HydrophobicContact CG-CE2 3.86Å; E207-F584 HydrophobicContact CG-CZ 3.85Å
208	I	93	Very high	92.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	145.3	179.7	60.2	-173.7	0	0	0	108.9	Q210 A222 L224 A235 Q580	I208-Q210 HydrophobicContact CD1-CB 4.24Å; I208-Q210 HydrophobicContact CD1-CG 4.25Å; I208-Q210 VanDerWaalsContact CD1-OE1 3.23Å; I208-Q210 HydrophobicContact CG1-CB 4.13Å; I208-Q210 HydrophobicContact CG1-CG 4.01Å; I208-Q210 PolarHBondContact O-N 2.94Å; I208-A222 HydrophobicContact CD1-CB 3.39Å; I208-A222 HydrophobicContact CG2-CB 4.39Å; I208-L224 HydrophobicContact CG2-CD2 4.2Å; I208-A235 WeakPolarHBondContact CG2-O 3.31Å; I208-Q580 PolarHBondContact O-NE2 2.92Å
209	E	87.9	Confident	92.2	Very high	32 Å²	32	22.4 Å²	22.4	15%	0.15	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-84.3	100.9	169	178.7	165.1	-177.1	0	0	109.9	S233 Y234 T576	E209-S233 CarbonylContact O-C 3.42Å; E209-S233 WeakPolarHBondContact O-CA 3.22Å; E209-Y234 PolarHBondContact O-N 3.46Å; E209-T576 HydrophobicContact CB-CG2 4.4Å; E209-T576 VanDerWaalsContact CD-CG2 3.47Å; E209-T576 HydrophobicContact CG-CG2 3.59Å; E209-T576 WeakPolarHBondContact OE1-CB 3.44Å; E209-T576 WeakPolarHBondContact OE1-CG2 3.49Å; E209-T576 PolarHBondContact OE1-OG1 2.88Å
210	Q	82.7	Confident	91.9	Very high	15 Å²	15	22.7 Å²	22.7	7%	0.07	11%	0.112	C	C	.	.			trans	-128.7	164.8	-174.8	65.4	-175.3	-21.2	0	0	112.2	P205 I208 Y212 N214 Y234	P205-Q210 PolarHBondContact O-NE2 2.92Å; I208-Q210 HydrophobicContact CD1-CB 4.24Å; I208-Q210 HydrophobicContact CD1-CG 4.25Å; I208-Q210 VanDerWaalsContact CD1-OE1 3.23Å; I208-Q210 HydrophobicContact CG1-CB 4.13Å; I208-Q210 HydrophobicContact CG1-CG 4.01Å; I208-Q210 PolarHBondContact O-N 2.94Å; Q210-Y212 PolarHBondContact O-N 2.72Å; Q210-N214 VanDerWaalsContact CD-ND2 3.31Å; Q210-N214 PolarHBondContact NE2-ND2 2.96Å; Q210-N214 PolarHBondContact OE1-ND2 3.16Å; Q210-N214 PolarHBondContact OE1-OD1 3.3Å; Q210-Y234 HydrophobicContact CB-CD1 4.07Å; Q210-Y234 HydrophobicContact CB-CE1 3.71Å
211	K	83	Confident	91.8	Very high	92 Å²	92	22.5 Å²	22.5	40%	0.4	11%	0.109	S	C	.	.			trans	-55.2	134.3	167.5	-172.9	-177	179.6	-170.1	0	110.2	P213 N214 T215 D217 Y234	K211-P213 CarbonylContact O-C 3.47Å; K211-N214 PolarHBondContact O-OD1 2.77Å; K211-T215 PolarHBondContact NZ-OG1 2.94Å; K211-D217 IonicContact NZ-OD1 3.14Å; K211-D217 IonicContact NZ-OD2 2.7Å; K211-Y234 WeakPolarHBondContact CB-OH 3.42Å; K211-Y234 PolarHBondContact N-OH 3.49Å
212	Y	88.9	Confident	91.6	Very high	9 Å²	9	22.3 Å²	22.3	4%	0.035	11%	0.108	C	C	.	.	S	Bend	trans	-126.4	133.5	179.1	-173.4	-87.1	0	0	0	111.6	F203 Q210 V579 I582 N583 A676 N691	F203-Y212 HydrophobicContact CD1-CD2 4.36Å; F203-Y212 HydrophobicContact CD1-CE1 4.3Å; F203-Y212 AromaticContact CD1-CE2 3.51Å; F203-Y212 HydrophobicContact CD1-CE2 3.51Å; F203-Y212 AromaticContact CD1-CZ 3.44Å; F203-Y212 VanDerWaalsContact CD1-CZ 3.44Å; F203-Y212 WeakPolarHBondContact CD1-OH 3.29Å; F203-Y212 HydrophobicContact CE1-CE1 4.07Å; F203-Y212 HydrophobicContact CE1-CE2 4.12Å; F203-Y212 AromaticContact CE1-CZ 3.6Å; F203-Y212 VanDerWaalsContact CE1-OH 3.31Å; F203-Y212 WeakPolarHBondContact CE1-OH 3.29Å; Q210-Y212 PolarHBondContact O-N 2.72Å; Y212-V579 VanDerWaalsContact CB-CG1 3.45Å; Y212-V579 VanDerWaalsContact CB-CG2 3.49Å; Y212-V579 HydrophobicContact CD1-CG2 4.05Å; Y212-V579 HydrophobicContact CD2-CG1 3.57Å; Y212-V579 HydrophobicContact CE2-CG1 4.42Å; Y212-V579 HydrophobicContact CG-CB 4.23Å; Y212-V579 HydrophobicContact CG-CG1 3.62Å; Y212-V579 HydrophobicContact CG-CG2 3.8Å; Y212-I582 HydrophobicContact CE1-CD1 4.39Å; Y212-I582 WeakPolarHBondContact OH-CG2 3.28Å; Y212-N583 WeakPolarHBondContact CE2-OD1 3.49Å; Y212-A676 WeakPolarHBondContact OH-CB 3.27Å; Y212-N691 HydrophobicContact CD1-CB 3.71Å; Y212-N691 VanDerWaalsContact O-CB 3.3Å; Y212-N691 WeakPolarHBondContact O-CB 3.46Å; Y212-N691 PolarHBondContact O-ND2 3.09Å
213	P	94.2	Very high	91.5	Very high	6 Å²	6	22.3 Å²	22.3	4%	0.039	11%	0.108	C	C	.	.	S	Bend	cis	-61.3	168.3	-15.5	37.2	-44.7	0	0	0	110.9	V201 S202 F203 K211 H688	V201-P213 HydrophobicContact CB-CB 3.95Å; V201-P213 HydrophobicContact CB-CG 3.97Å; V201-P213 HydrophobicContact CG1-CB 4.47Å; V201-P213 HydrophobicContact CG1-CG 3.93Å; V201-P213 HydrophobicContact CG2-CB 4.39Å; S202-P213 WeakPolarHBondContact O-CB 3.47Å; F203-P213 HydrophobicContact CD1-CB 4.27Å; F203-P213 HydrophobicContact CE1-CB 3.8Å; F203-P213 HydrophobicContact CZ-CB 4.23Å; K211-P213 CarbonylContact O-C 3.47Å; P213-H688 WeakPolarHBondContact CG-O 3.21Å
214	N	92.6	Very high	91.5	Very high	7 Å²	7	22.3 Å²	22.3	4%	0.037	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	133.7	166.7	-79.2	-41.8	0	0	0	109.7	V201 S202 G204 Q210 K211 I268	V201-N214 WeakPolarHBondContact CA-O 3.3Å; S202-N214 PolarHBondContact N-O 3.27Å; S202-N214 WeakPolarHBondContact O-CB 3.38Å; S202-N214 PolarHBondContact O-N 2.78Å; S202-N214 VanDerWaalsContact OG-CB 3.22Å; S202-N214 WeakPolarHBondContact OG-CB 3.24Å; G204-N214 PolarHBondContact O-ND2 3.34Å; Q210-N214 VanDerWaalsContact CD-ND2 3.31Å; Q210-N214 PolarHBondContact NE2-ND2 2.96Å; Q210-N214 PolarHBondContact OE1-ND2 3.16Å; Q210-N214 PolarHBondContact OE1-OD1 3.3Å; K211-N214 PolarHBondContact O-OD1 2.77Å; N214-I268 HydrophobicContact CB-CD1 4.22Å
215	T	91.2	Very high	91.7	Very high	23 Å²	23	22.4 Å²	22.4	14%	0.141	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	141.5	177.3	50.7	0	0	0	0	110	K211 D217	K211-T215 PolarHBondContact NZ-OG1 2.94Å; T215-D217 VanDerWaalsContact CB-OD1 3.24Å; T215-D217 WeakPolarHBondContact CB-OD1 3.26Å; T215-D217 PolarHBondContact O-N 3.44Å; T215-D217 VanDerWaalsContact OG1-CG 3.28Å; T215-D217 PolarHBondContact OG1-OD1 2.99Å; T215-D217 PolarHBondContact OG1-OD2 2.83Å
216	F	93.4	Very high	91.8	Very high	23 Å²	23	22.5 Å²	22.5	10%	0.101	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	41	178.8	-56.2	-81.6	0	0	0	112.3	V197 A199 F244 I268 P270 P272	V197-F216 HydrophobicContact CG2-CD1 4.44Å; V197-F216 HydrophobicContact CG2-CE1 3.51Å; V197-F216 HydrophobicContact CG2-CZ 3.58Å; A199-F216 HydrophobicContact CB-CE2 3.87Å; A199-F216 HydrophobicContact CB-CZ 4.11Å; A199-F216 WeakPolarHBondContact O-CE2 3.29Å; F216-F244 HydrophobicContact CE1-CZ 4.46Å; F216-F244 HydrophobicContact CZ-CE2 4.5Å; F216-F244 HydrophobicContact CZ-CZ 4.05Å; F216-I268 HydrophobicContact CD1-CG2 3.52Å; F216-I268 HydrophobicContact CE1-CG2 3.68Å; F216-P270 WeakPolarHBondContact O-CA 3.19Å; F216-P270 WeakPolarHBondContact O-CB 3.47Å; F216-P272 HydrophobicContact CB-CB 3.85Å; F216-P272 HydrophobicContact CD1-CB 3.5Å; F216-P272 VanDerWaalsContact CD1-CB 3.5Å; F216-P272 HydrophobicContact CD2-CB 3.93Å; F216-P272 HydrophobicContact CE1-CB 3.96Å; F216-P272 HydrophobicContact CE2-CB 4.36Å; F216-P272 HydrophobicContact CG-CB 3.48Å; F216-P272 VanDerWaalsContact CG-CB 3.48Å; F216-P272 HydrophobicContact CZ-CB 4.37Å
217	D	90.8	Very high	92	Very high	99 Å²	99	23.2 Å²	23.2	53%	0.529	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-1.3	178.9	60.9	-7.3	0	0	0	112.5	K211 T215	K211-D217 IonicContact NZ-OD1 3.14Å; K211-D217 IonicContact NZ-OD2 2.7Å; T215-D217 VanDerWaalsContact CB-OD1 3.24Å; T215-D217 WeakPolarHBondContact CB-OD1 3.26Å; T215-D217 PolarHBondContact O-N 3.44Å; T215-D217 VanDerWaalsContact OG1-CG 3.28Å; T215-D217 PolarHBondContact OG1-OD1 2.99Å; T215-D217 PolarHBondContact OG1-OD2 2.83Å
218	T	88.2	Confident	92	Very high	55 Å²	55	23.6 Å²	23.6	34%	0.337	11%	0.114	S	C	.	.	S	Bend	trans	-126.1	165.9	-179.2	58.1	0	0	0	0	111.2	I268 P270	T218-I268 VanDerWaalsContact O-O 3.13Å; T218-P270 WeakPolarHBondContact O-CD 3.28Å
219	W	91.1	Very high	91.9	Very high	40 Å²	40	24.3 Å²	24.3	15%	0.152	12%	0.122	C	C	.	.			trans	-101.1	62	172.9	-65.7	91.6	0	0	0	110	N30 R33 G62 L63 P64 R221 I268 T269 P270	N30-W219 VanDerWaalsContact O-CH2 3.23Å; N30-W219 WeakPolarHBondContact O-CH2 3.44Å; N30-W219 WeakPolarHBondContact O-CZ2 3.43Å; R33-W219 HydrophobicContact CB-CH2 4.45Å; R33-W219 WeakPolarHBondContact O-CH2 3.47Å; R33-W219 VanDerWaalsContact O-CZ3 3.28Å; R33-W219 WeakPolarHBondContact O-CZ3 3.29Å; G62-W219 VanDerWaalsContact C-CB 3.49Å; G62-W219 WeakPolarHBondContact O-CB 3.4Å; L63-W219 HydrophobicContact CD1-CD2 4.48Å; L63-W219 HydrophobicContact CD1-CH2 4.03Å; L63-W219 HydrophobicContact CD1-CZ2 3.36Å; P64-W219 HydrophobicContact CG-CZ3 4.29Å; W219-R221 PolarHBondContact O-N 3.26Å; W219-I268 CarbonylContact C-O 3.53Å; W219-T269 HydrophobicContact CE3-CG2 3.52Å; W219-T269 HydrophobicContact CZ3-CG2 3.54Å; W219-P270 HydrophobicContact CZ2-CG 4.23Å
220	M	91	Very high	91.9	Very high	11 Å²	11	25.5 Å²	25.5	5%	0.054	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	135.3	-177.8	-172.5	-163.4	86.9	0	0	110.3	A222 Y234 A267 I268	M220-A222 HydrophobicContact CE-CB 4.12Å; M220-Y234 HydrophobicContact CG-CD1 3.91Å; M220-Y234 HydrophobicContact CG-CE1 3.63Å; M220-Y234 HydrophobicContact SD-CD1 4.35Å; M220-Y234 HydrophobicContact SD-CE1 3.91Å; M220-A267 CarbonylContact O-C 3.59Å; M220-A267 WeakPolarHBondContact O-CA 3.49Å; M220-I268 HydrophobicContact CB-CB 4.31Å; M220-I268 HydrophobicContact CE-CB 4.14Å; M220-I268 HydrophobicContact CE-CD1 3.51Å; M220-I268 HydrophobicContact CE-CG1 3.72Å; M220-I268 PolarHBondContact N-O 2.89Å; M220-I268 PolarHBondContact O-N 3.2Å; M220-I268 HydrophobicContact SD-CD1 4.31Å
221	R	92	Very high	92.1	Very high	53 Å²	53	25.5 Å²	25.5	20%	0.2	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127.3	165.8	-68	177.7	60.4	-171	-6.1	108.3	D35 P38 W219 E265 V266 A267	D35-R221 IonicContact OD2-NH1 3.77Å; P38-R221 VanDerWaalsContact O-CZ 3.26Å; P38-R221 PolarHBondContact O-NH1 3.25Å; P38-R221 PolarHBondContact O-NH2 3.37Å; W219-R221 PolarHBondContact O-N 3.26Å; R221-E265 IonicContact CZ-OE1 2.75Å; R221-E265 VanDerWaalsContact CZ-OE1 3.24Å; R221-E265 IonicContact CZ-OE2 3.25Å; R221-E265 VanDerWaalsContact NE-CD 3.3Å; R221-E265 IonicContact NE-OE1 3.22Å; R221-E265 PolarHBondContact NE-OE1 3.14Å; R221-E265 IonicContact NE-OE2 2.78Å; R221-E265 PolarHBondContact NE-OE2 2.74Å; R221-E265 IonicContact NH2-OE1 2.63Å; R221-E265 PolarHBondContact NH2-OE1 3.28Å; R221-E265 IonicContact NH2-OE2 3.63Å; R221-E265 PolarHBondContact NH2-OE2 3.22Å; R221-V266 WeakPolarHBondContact CA-O 3.44Å; R221-A267 HydrophobicContact CG-CB 4.02Å
222	A	91.7	Very high	92.3	Very high	1 Å²	1	26 Å²	26	1%	0.008	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128.1	178.3	0	0	0	0	0	109.9	I208 M220 E265 V266	I208-A222 HydrophobicContact CD1-CB 3.39Å; I208-A222 HydrophobicContact CG2-CB 4.39Å; M220-A222 HydrophobicContact CE-CB 4.12Å; A222-E265 CarbonylContact O-C 3.56Å; A222-E265 VanDerWaalsContact O-CA 3.31Å; A222-E265 WeakPolarHBondContact O-CA 3.43Å; A222-E265 WeakPolarHBondContact O-CG 3.5Å; A222-V266 PolarHBondContact N-O 2.92Å; A222-V266 PolarHBondContact O-N 3.15Å
223	A	95.2	Very high	92.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	149.8	174.6	0	0	0	0	0	110.8	N236 Q264 P494 K495 I496	A223-N236 HydrophobicContact CB-CB 4.44Å; A223-N236 WeakPolarHBondContact O-CB 3.49Å; A223-Q264 CarbonylContact C-O 3.49Å; A223-Q264 VanDerWaalsContact CA-O 3.3Å; A223-Q264 WeakPolarHBondContact CA-O 3.42Å; A223-P494 HydrophobicContact CB-CB 4.05Å; A223-K495 VanDerWaalsContact CB-C 3.47Å; A223-K495 WeakPolarHBondContact CB-O 3.42Å; A223-I496 HydrophobicContact CB-CB 4.4Å; A223-I496 HydrophobicContact CB-CG2 3.53Å
224	L	97	Very high	91.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	105	175.1	-53.9	176.6	0	0	0	108.6	P205 G206 I208 T240 N242 Q264 V266	P205-L224 HydrophobicContact CB-CD1 4.21Å; G206-L224 VanDerWaalsContact O-CD2 3.22Å; G206-L224 WeakPolarHBondContact O-CD2 3.18Å; I208-L224 HydrophobicContact CG2-CD2 4.2Å; L224-T240 HydrophobicContact CB-CG2 3.83Å; L224-T240 HydrophobicContact CD1-CG2 4.34Å; L224-N242 HydrophobicContact CD1-CB 3.93Å; L224-Q264 HydrophobicContact CB-CG 3.76Å; L224-Q264 HydrophobicContact CD1-CG 4.12Å; L224-Q264 HydrophobicContact CG-CG 4.33Å; L224-Q264 PolarHBondContact N-O 3.16Å; L224-Q264 PolarHBondContact O-N 2.82Å; L224-V266 HydrophobicContact CD1-CG2 4.45Å
225	W	97.6	Very high	91.7	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.011	18%	0.175	C	C	.	.			trans	-160.4	117.5	179.5	-173	-114.6	0	0	0	107.3	H227 N236 A263 I496 L501 H521 N522	W225-H227 PolarHBondContact O-N 3.01Å; W225-N236 WeakPolarHBondContact O-CB 3.45Å; W225-N236 PolarHBondContact O-ND2 3.44Å; W225-A263 HydrophobicContact CB-CB 4.41Å; W225-A263 HydrophobicContact CD2-CB 3.75Å; W225-A263 VanDerWaalsContact CE3-CA 3.46Å; W225-A263 HydrophobicContact CE3-CB 3.33Å; W225-A263 HydrophobicContact CG-CB 4.25Å; W225-A263 HydrophobicContact CZ3-CB 3.76Å; W225-I496 HydrophobicContact CB-CG2 3.64Å; W225-I496 HydrophobicContact CG-CG2 4.29Å; W225-L501 HydrophobicContact CZ2-CB 4.31Å; W225-L501 PolarHBondContact NE1-O 2.81Å; W225-H521 AromaticContact CD1-NE2 3.85Å; W225-H521 AromaticContact CD2-CD2 3.28Å; W225-H521 AromaticContact CD2-NE2 3.59Å; W225-H521 AromaticContact CE2-CD2 3.25Å; W225-H521 AromaticContact CE2-CE1 3.87Å; W225-H521 AromaticContact CE2-CG 3.64Å; W225-H521 AromaticContact CE2-ND1 3.99Å; W225-H521 AromaticContact CE2-NE2 3.42Å; W225-H521 HydrophobicContact CE3-CB 4.32Å; W225-H521 AromaticContact CE3-CD2 3.34Å; W225-H521 AromaticContact CG-NE2 3.92Å; W225-H521 HydrophobicContact CH2-CB 3.13Å; W225-H521 AromaticContact CH2-CD2 3.52Å; W225-H521 AromaticContact CH2-CG 3.32Å; W225-H521 HydrophobicContact CZ2-CB 3.61Å; W225-H521 AromaticContact CZ2-CD2 3.4Å; W225-H521 WeakPolarHBondContact CZ2-CD2 3.19Å; W225-H521 AromaticContact CZ2-CG 3.27Å; W225-H521 AromaticContact CZ2-ND1 3.7Å; W225-H521 AromaticContact CZ2-NE2 3.89Å; W225-H521 HydrophobicContact CZ3-CB 3.53Å; W225-H521 AromaticContact CZ3-CD2 3.47Å; W225-H521 VanDerWaalsContact CZ3-CD2 3.47Å; W225-H521 WeakPolarHBondContact CZ3-CD2 3.47Å; W225-H521 AromaticContact CZ3-CG 3.7Å; W225-H521 AromaticContact NE1-CD2 3.9Å; W225-H521 AromaticContact NE1-CE1 3.89Å; W225-H521 AromaticContact NE1-NE2 3.55Å; W225-N522 VanDerWaalsContact CA-OD1 3.3Å; W225-N522 WeakPolarHBondContact CA-OD1 3.43Å
226	G	97.2	Very high	91.9	Very high	2 Å²	2	32.1 Å²	32.1	2%	0.021	17%	0.169	C	C	.	.			trans	-50.6	125	-177.5	0	0	0	0	0	111.9	L237 H521 N522	G226-L237 CarbonylContact C-O 3.39Å; G226-L237 WeakPolarHBondContact CA-O 3.4Å; G226-H521 PolarHBondContact N-NE2 2.98Å; G226-H521 PolarHBondContact O-CE1 2.88Å; G226-H521 VanDerWaalsContact O-CE1 3.31Å; G226-H521 PolarHBondContact O-NE2 2.95Å; G226-N522 PolarHBondContact N-OD1 3.25Å
227	H	96.9	Very high	91.9	Very high	14 Å²	14	31.2 Å²	31.2	7%	0.065	17%	0.165	C	C	.	.			trans	-145.8	130.2	-174.3	-175.9	86.8	0	0	0	111.9	W225 G229 N236 L237 D503	W225-H227 PolarHBondContact O-N 3.01Å; H227-G229 PolarHBondContact O-N 3.42Å; H227-N236 WeakPolarHBondContact CB-ND2 3.41Å; H227-L237 PolarHBondContact N-O 3.33Å; H227-L237 CarbonylContact O-C 3.26Å; H227-D503 IonicContact CE1-OD2 3.73Å
228	D	96.3	Very high	92.3	Very high	9 Å²	9	26.5 Å²	26.5	5%	0.048	14%	0.14	C	C	.	.			trans	-82	107.4	175.6	171.7	53.1	0	0	0	110.8	A471 K504 R550	D228-A471 HydrophobicContact CB-CB 3.66Å; D228-K504 IonicContact OD2-NZ 3.14Å; D228-K504 PolarHBondContact OD2-NZ 3.28Å; D228-R550 IonicContact OD1-CZ 3.39Å; D228-R550 IonicContact OD1-NH1 3.97Å; D228-R550 IonicContact OD1-NH2 3.32Å; D228-R550 PolarHBondContact OD1-NH2 2.96Å
229	G	90.7	Very high	92.7	Very high	16 Å²	16	24 Å²	24	17%	0.165	12%	0.124	C	C	.	.	S	Bend	trans	-178.6	168.3	171.2	0	0	0	0	0	112.4	H227 Y238	H227-G229 PolarHBondContact O-N 3.42Å; G229-Y238 WeakPolarHBondContact O-CE1 3.23Å; G229-Y238 PolarHBondContact O-OH 2.99Å
230	N	87.7	Confident	93	Very high	57 Å²	57	22.1 Å²	22.1	31%	0.305	12%	0.117	S	C	.	.			trans	-61.9	141.4	178	-62.3	18.6	0	0	0	110	Q232 L568 T600	N230-Q232 PolarHBondContact O-N 3.18Å; N230-L568 HydrophobicContact CB-CD2 4.33Å; N230-T600 PolarHBondContact ND2-OG1 3.28Å
231	P	87.4	Confident	93.3	Very high	15 Å²	15	21.6 Å²	21.6	10%	0.097	12%	0.115	C	C	.	.			trans	-53.2	127.9	176.5	-28.5	38	0	0	0	112.1	L237 Y238 D566 V567	P231-L237 HydrophobicContact CB-CD1 4.14Å; P231-L237 HydrophobicContact CB-CD2 4.48Å; P231-Y238 WeakPolarHBondContact CD-OH 3.33Å; P231-D566 VanDerWaalsContact CD-O 3.23Å; P231-D566 WeakPolarHBondContact CD-O 3.23Å; P231-V567 HydrophobicContact CG-CG1 4.14Å
232	Q	86.3	Confident	93.6	Very high	102 Å²	102	19.2 Å²	19.2	48%	0.477	11%	0.106	S	C	.	.			trans	-134	145.2	179.4	-75.5	173.2	69.8	0	0	109.6	N230 Y234 A235	N230-Q232 PolarHBondContact O-N 3.18Å; Q232-Y234 PolarHBondContact O-N 3.4Å; Q232-A235 HydrophobicContact CB-CB 3.79Å; Q232-A235 WeakPolarHBondContact O-CB 3.42Å; Q232-A235 PolarHBondContact O-N 3.06Å; Q232-A235 VanDerWaalsContact O-N 3.12Å
233	S	86	Confident	93.9	Very high	84 Å²	84	19.1 Å²	19.1	59%	0.587	11%	0.106	S	C	*	.	B	Isolated β-bridge	trans	-58.6	125.1	-178.3	-167.5	0	0	0	0	111.8	E209 A235	E209-S233 CarbonylContact O-C 3.42Å; E209-S233 WeakPolarHBondContact O-CA 3.22Å; S233-A235 PolarHBondContact O-N 3.33Å; S233-A235 VanDerWaalsContact O-N 3.14Å
234	Y	86.1	Confident	94	Very high	81 Å²	81	19.1 Å²	19.1	32%	0.318	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	14.7	-178.5	-58	-81.3	0	0	0	115.7	E209 Q210 K211 M220 Q232	E209-Y234 PolarHBondContact O-N 3.46Å; Q210-Y234 HydrophobicContact CB-CD1 4.07Å; Q210-Y234 HydrophobicContact CB-CE1 3.71Å; K211-Y234 WeakPolarHBondContact CB-OH 3.42Å; K211-Y234 PolarHBondContact N-OH 3.49Å; M220-Y234 HydrophobicContact CG-CD1 3.91Å; M220-Y234 HydrophobicContact CG-CE1 3.63Å; M220-Y234 HydrophobicContact SD-CD1 4.35Å; M220-Y234 HydrophobicContact SD-CE1 3.91Å; Q232-Y234 PolarHBondContact O-N 3.4Å
235	A	91.3	Very high	94	Very high	7 Å²	7	19.1 Å²	19.1	6%	0.058	11%	0.106	C	C	.	.			trans	-80.7	148.4	169.6	0	0	0	0	0	111.1	I208 Q232 S233 L237 L497	I208-A235 WeakPolarHBondContact CG2-O 3.31Å; Q232-A235 HydrophobicContact CB-CB 3.79Å; Q232-A235 WeakPolarHBondContact O-CB 3.42Å; Q232-A235 PolarHBondContact O-N 3.06Å; Q232-A235 VanDerWaalsContact O-N 3.12Å; S233-A235 PolarHBondContact O-N 3.33Å; S233-A235 VanDerWaalsContact O-N 3.14Å; A235-L237 HydrophobicContact CB-CD2 4.39Å; A235-L497 HydrophobicContact CB-CD1 3.63Å; A235-L497 HydrophobicContact CB-CD2 3.91Å; A235-L497 HydrophobicContact CB-CG 3.73Å
236	N	95	Very high	94	Very high	1 Å²	1	19 Å²	19	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	131	164.1	57.5	-65.1	0	0	0	109.5	A223 W225 H227 I496 L497	A223-N236 HydrophobicContact CB-CB 4.44Å; A223-N236 WeakPolarHBondContact O-CB 3.49Å; W225-N236 WeakPolarHBondContact O-CB 3.45Å; W225-N236 PolarHBondContact O-ND2 3.44Å; H227-N236 WeakPolarHBondContact CB-ND2 3.41Å; N236-I496 WeakPolarHBondContact OD1-CA 3.43Å; N236-L497 PolarHBondContact OD1-N 3.34Å
237	L	95.4	Very high	94.1	Very high	5 Å²	5	18.9 Å²	18.9	3%	0.026	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-147.5	-179.2	-54.9	-179.1	0	0	0	110.3	E207 G226 H227 P231 A235	E207-L237 HydrophobicContact CB-CB 4.33Å; E207-L237 HydrophobicContact CG-CB 3.99Å; E207-L237 HydrophobicContact CG-CD1 4.2Å; E207-L237 PolarHBondContact O-N 2.98Å; G226-L237 CarbonylContact C-O 3.39Å; G226-L237 WeakPolarHBondContact CA-O 3.4Å; H227-L237 PolarHBondContact N-O 3.33Å; H227-L237 CarbonylContact O-C 3.26Å; P231-L237 HydrophobicContact CB-CD1 4.14Å; P231-L237 HydrophobicContact CB-CD2 4.48Å; A235-L237 HydrophobicContact CB-CD2 4.39Å
238	Y	97.8	Very high	94	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-43.2	-167.5	-37.2	-74.5	0	0	0	113.3	E207 G229 P231 R550 S551 G565 D566	E207-Y238 WeakPolarHBondContact OE1-CD2 3.16Å; E207-Y238 WeakPolarHBondContact OE2-CB 3.42Å; E207-Y238 WeakPolarHBondContact OE2-CD2 3.42Å; E207-Y238 PolarHBondContact OE2-N 2.95Å; G229-Y238 WeakPolarHBondContact O-CE1 3.23Å; G229-Y238 PolarHBondContact O-OH 2.99Å; P231-Y238 WeakPolarHBondContact CD-OH 3.33Å; Y238-R550 HydrophobicContact CD1-CG 3.76Å; Y238-R550 HydrophobicContact CD2-CG 4.23Å; Y238-R550 HydrophobicContact CE1-CG 4.36Å; Y238-R550 HydrophobicContact CG-CG 3.69Å; Y238-S551 PolarHBondContact O-OG 2.7Å; Y238-G565 VanDerWaalsContact CE2-CA 3.47Å; Y238-D566 PolarHBondContact OH-N 3.31Å
239	G	97.3	Very high	93.9	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	158.2	-176.1	0	0	0	0	0	115.9	E207 S552	E207-G239 WeakPolarHBondContact CB-O 3.38Å; E207-G239 PolarHBondContact N-O 2.7Å; E207-G239 PolarHBondContact OE2-N 2.6Å; G239-S552 CarbonylContact C-O 3.58Å; G239-S552 WeakPolarHBondContact CA-O 3.11Å
240	T	97.1	Very high	93.9	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	106	173.6	-70.1	0	0	0	0	111.1	L224 N522 S552 F553	L224-T240 HydrophobicContact CB-CG2 3.83Å; L224-T240 HydrophobicContact CD1-CG2 4.34Å; T240-N522 HydrophobicContact CG2-CB 4.34Å; T240-N522 VanDerWaalsContact OG1-CG 3.26Å; T240-N522 PolarHBondContact OG1-OD1 3.35Å; T240-N522 VanDerWaalsContact OG1-OD1 3.1Å; T240-S552 PolarHBondContact N-O 2.84Å; T240-F553 HydrophobicContact CG2-CD2 4.1Å; T240-F553 HydrophobicContact CG2-CE2 3.95Å; T240-F553 VanDerWaalsContact O-CD2 3.24Å; T240-F553 WeakPolarHBondContact O-CD2 3.42Å
241	H	97.8	Very high	94.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	87.2	-177.7	-62.3	-74.7	0	0	0	110	P205 G206 F243 S552 F553 F584 F587	P205-H241 WeakPolarHBondContact CA-O 3.35Å; P205-H241 WeakPolarHBondContact CB-O 3.14Å; G206-H241 PolarHBondContact N-O 2.97Å; G206-H241 CarbonylContact O-C 3.48Å; G206-H241 WeakPolarHBondContact O-CA 3.31Å; G206-H241 PolarHBondContact O-N 3.03Å; H241-F243 PolarHBondContact O-N 3.27Å; H241-S552 PolarHBondContact NE2-OG 3.13Å; H241-F553 PolarHBondContact CE1-O 3.47Å; H241-F584 AromaticContact NE2-CE1 3.59Å; H241-F587 HydrophobicContact CB-CB 4.34Å; H241-F587 HydrophobicContact CB-CD1 3.77Å; H241-F587 HydrophobicContact CB-CD2 3.76Å; H241-F587 HydrophobicContact CB-CE1 3.91Å; H241-F587 HydrophobicContact CB-CE2 3.91Å; H241-F587 HydrophobicContact CB-CG 3.71Å; H241-F587 HydrophobicContact CB-CZ 4Å; H241-F587 AromaticContact CD2-CD2 3.79Å; H241-F587 AromaticContact CG-CD2 3.64Å; H241-F587 AromaticContact CG-CG 3.73Å
242	N	96.7	Very high	94.8	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	15%	0.148	C	C	.	.			trans	-84	53.3	-179.3	-154.7	-9.7	0	0	0	112.8	L224 F257 F258 Q264 Y276	L224-N242 HydrophobicContact CD1-CB 3.93Å; N242-F257 WeakPolarHBondContact O-CA 3.35Å; N242-F257 WeakPolarHBondContact O-CD2 3.36Å; N242-F258 HydrophobicContact CB-CB 4.33Å; N242-F258 VanDerWaalsContact ND2-CD1 3.29Å; N242-F258 WeakPolarHBondContact ND2-CD1 3.39Å; N242-F258 PolarHBondContact O-N 3.47Å; N242-Q264 VanDerWaalsContact ND2-CD 3.26Å; N242-Q264 PolarHBondContact ND2-NE2 3Å; N242-Q264 PolarHBondContact ND2-OE1 2.97Å; N242-Y276 VanDerWaalsContact OD1-CE1 3.32Å; N242-Y276 WeakPolarHBondContact OD1-CE1 3.07Å
243	F	98	Very high	95.3	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.6	175.3	-179.7	-107.8	0	0	0	110.1	G204 P205 H241 M245 I256 F257 F288 V296 Y300 M586 F587	G204-F243 WeakPolarHBondContact CA-O 3.46Å; P205-F243 WeakPolarHBondContact CA-O 3.39Å; H241-F243 PolarHBondContact O-N 3.27Å; F243-M245 HydrophobicContact CE1-CB 4.22Å; F243-I256 WeakPolarHBondContact CA-O 3.28Å; F243-F257 HydrophobicContact CD2-CB 4.07Å; F243-F288 HydrophobicContact CD2-CE2 4.22Å; F243-F288 AromaticContact CE2-CD2 3.76Å; F243-F288 HydrophobicContact CE2-CD2 3.76Å; F243-F288 AromaticContact CE2-CE2 3.72Å; F243-F288 HydrophobicContact CE2-CE2 3.72Å; F243-V296 HydrophobicContact CZ-CG1 3.97Å; F243-Y300 HydrophobicContact CB-CE1 4.39Å; F243-Y300 HydrophobicContact CB-CE2 4.41Å; F243-Y300 HydrophobicContact CD1-CD1 4.35Å; F243-Y300 HydrophobicContact CD1-CE1 4.48Å; F243-Y300 HydrophobicContact CD2-CD1 4.14Å; F243-Y300 AromaticContact CD2-CD2 3.65Å; F243-Y300 HydrophobicContact CD2-CD2 3.65Å; F243-Y300 HydrophobicContact CD2-CE1 4.36Å; F243-Y300 AromaticContact CD2-CE2 3.89Å; F243-Y300 HydrophobicContact CD2-CE2 3.89Å; F243-Y300 AromaticContact CD2-CG 3.77Å; F243-Y300 HydrophobicContact CD2-CG 3.77Å; F243-Y300 HydrophobicContact CE1-CD1 4.37Å; F243-Y300 HydrophobicContact CE2-CD1 4.15Å; F243-Y300 AromaticContact CE2-CD2 3.79Å; F243-Y300 HydrophobicContact CE2-CD2 3.79Å; F243-Y300 HydrophobicContact CE2-CE2 4.48Å; F243-Y300 AromaticContact CE2-CG 3.59Å; F243-Y300 HydrophobicContact CE2-CG 3.59Å; F243-Y300 HydrophobicContact CG-CD1 4.21Å; F243-Y300 HydrophobicContact CG-CD2 4.37Å; F243-Y300 HydrophobicContact CG-CE1 4.16Å; F243-Y300 HydrophobicContact CG-CE2 4.31Å; F243-Y300 HydrophobicContact CG-CG 4.32Å; F243-Y300 HydrophobicContact CZ-CD1 4.25Å; F243-Y300 AromaticContact CZ-CG 4Å; F243-Y300 HydrophobicContact CZ-CG 4Å; F243-M586 HydrophobicContact CD1-CE 3.94Å; F243-M586 HydrophobicContact CD1-CG 3.81Å; F243-M586 HydrophobicContact CD1-SD 3.96Å; F243-M586 HydrophobicContact CE1-CE 4.38Å; F243-M586 HydrophobicContact CE1-CG 3.54Å; F243-M586 HydrophobicContact CE1-SD 3.77Å; F243-F587 HydrophobicContact CB-CD1 4.31Å; F243-F587 HydrophobicContact CB-CE1 4.47Å; F243-F587 HydrophobicContact CD1-CD1 4.48Å
244	F	97.6	Very high	95.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	133	179.1	169.5	-85.2	0	0	0	109.3	V197 S202 F203 F216 F254 G255 I256 I268 I274	V197-F244 HydrophobicContact CG1-CE1 4.23Å; V197-F244 HydrophobicContact CG1-CZ 4.39Å; V197-F244 HydrophobicContact CG2-CZ 4.33Å; S202-F244 VanDerWaalsContact CB-CZ 3.4Å; S202-F244 VanDerWaalsContact OG-CE2 3.27Å; S202-F244 WeakPolarHBondContact OG-CE2 3.05Å; F203-F244 WeakPolarHBondContact O-CA 3.46Å; F216-F244 HydrophobicContact CE1-CZ 4.46Å; F216-F244 HydrophobicContact CZ-CE2 4.5Å; F216-F244 HydrophobicContact CZ-CZ 4.05Å; F244-F254 HydrophobicContact CD1-CE2 4.36Å; F244-F254 AromaticContact CE1-CE2 3.93Å; F244-F254 HydrophobicContact CE1-CE2 3.93Å; F244-F254 AromaticContact CE1-CZ 3.97Å; F244-F254 HydrophobicContact CE1-CZ 3.97Å; F244-G255 CarbonylContact O-C 3.29Å; F244-G255 VanDerWaalsContact O-CA 3.24Å; F244-G255 WeakPolarHBondContact O-CA 3.35Å; F244-I256 HydrophobicContact CB-CB 4.48Å; F244-I256 HydrophobicContact CD1-CD1 3.98Å; F244-I256 HydrophobicContact CD1-CG1 4.12Å; F244-I256 HydrophobicContact CE1-CD1 4.42Å; F244-I256 PolarHBondContact N-O 2.99Å; F244-I256 PolarHBondContact O-N 2.98Å; F244-I268 HydrophobicContact CD2-CD1 4.46Å; F244-I268 HydrophobicContact CE2-CD1 4.19Å; F244-I274 HydrophobicContact CB-CD1 4.04Å; F244-I274 HydrophobicContact CD1-CD1 4.48Å; F244-I274 HydrophobicContact CD2-CD1 3.48Å; F244-I274 VanDerWaalsContact CD2-CD1 3.48Å; F244-I274 HydrophobicContact CE2-CD1 3.96Å; F244-I274 HydrophobicContact CG-CD1 3.76Å
245	M	98.2	Very high	96.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	121.6	171	-178.6	172.2	64.2	0	0	110.4	S202 F203 F243 A253 F254 P293 V296 I297 M586 F679	S202-M245 CarbonylContact C-O 3.53Å; S202-M245 WeakPolarHBondContact CA-O 3.44Å; S202-M245 WeakPolarHBondContact CB-O 3.46Å; F203-M245 HydrophobicContact CB-CB 4.41Å; F203-M245 HydrophobicContact CB-CE 4.29Å; F203-M245 HydrophobicContact CD2-CB 4.49Å; F203-M245 HydrophobicContact CD2-CE 3.61Å; F203-M245 HydrophobicContact CE2-CE 4.25Å; F203-M245 HydrophobicContact CG-CE 4.1Å; F203-M245 PolarHBondContact N-O 3.5Å; F203-M245 PolarHBondContact O-N 3.08Å; F243-M245 HydrophobicContact CE1-CB 4.22Å; M245-A253 HydrophobicContact CG-CB 4.35Å; M245-A253 HydrophobicContact SD-CB 4.44Å; M245-F254 CarbonylContact C-O 3.58Å; M245-F254 WeakPolarHBondContact CA-O 3.08Å; M245-P293 HydrophobicContact CE-CB 4.01Å; M245-P293 HydrophobicContact SD-CB 3.92Å; M245-V296 HydrophobicContact CG-CG1 4.01Å; M245-V296 HydrophobicContact SD-CB 3.99Å; M245-V296 HydrophobicContact SD-CG1 3.88Å; M245-I297 HydrophobicContact CE-CD1 4.36Å; M245-I297 HydrophobicContact SD-CG1 4.29Å; M245-M586 HydrophobicContact CB-SD 4.11Å; M245-M586 HydrophobicContact CE-SD 3.94Å; M245-F679 HydrophobicContact CE-CD1 3.85Å; M245-F679 HydrophobicContact CE-CE1 3.27Å; M245-F679 HydrophobicContact CE-CE2 4.3Å; M245-F679 HydrophobicContact CE-CZ 3.54Å
246	G	97.7	Very high	96.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	138.1	173.4	0	0	0	0	0	111.2	A253 F254	G246-A253 WeakPolarHBondContact O-CA 3.4Å; G246-A253 WeakPolarHBondContact O-CB 3.33Å; G246-F254 PolarHBondContact N-O 3.15Å; G246-F254 PolarHBondContact O-N 2.83Å; G246-F254 VanDerWaalsContact O-N 3.13Å
247	L	97.9	Very high	97	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.8	178.3	177.8	61.3	0	0	0	111.2	Q200 V201 F203 A253 P293 A678 P682	Q200-L247 PolarHBondContact N-O 2.79Å; V201-L247 HydrophobicContact CG2-CB 3.98Å; V201-L247 HydrophobicContact CG2-CD2 4.14Å; V201-L247 HydrophobicContact CG2-CG 4.37Å; V201-L247 PolarHBondContact N-O 3.35Å; V201-L247 PolarHBondContact O-N 3.43Å; F203-L247 HydrophobicContact CE2-CB 3.93Å; F203-L247 HydrophobicContact CE2-CD2 3.92Å; F203-L247 HydrophobicContact CZ-CD2 4.18Å; L247-A253 HydrophobicContact CD1-CB 4.24Å; L247-P293 HydrophobicContact CD1-CG 3.98Å; L247-A678 HydrophobicContact CD2-CB 3.97Å; L247-P682 HydrophobicContact CD1-CB 4.41Å
248	K	95.7	Very high	97.2	Very high	37 Å²	37	13.7 Å²	13.7	16%	0.161	8%	0.079	C	C	.	.			trans	-94.1	153.7	174.7	-65.1	-176.7	74.7	179.5	0	111.5	D171 N198 G250 G251 T252 H688	D171-K248 IonicContact OD1-NZ 3.17Å; D171-K248 PolarHBondContact OD1-NZ 2.9Å; D171-K248 IonicContact OD2-NZ 3.71Å; D171-K248 PolarHBondContact OD2-NZ 3.33Å; N198-K248 PolarHBondContact ND2-NZ 3.14Å; N198-K248 WeakPolarHBondContact O-CD 3.49Å; N198-K248 WeakPolarHBondContact O-CG 3.27Å; K248-G250 PolarHBondContact O-N 3.03Å; K248-G251 PolarHBondContact O-N 3.46Å; K248-T252 WeakPolarHBondContact CB-O 3.26Å; K248-T252 PolarHBondContact N-O 3.13Å; K248-H688 PolarHBondContact O-CE1 2.82Å; K248-H688 VanDerWaalsContact O-CE1 3.29Å
249	Y	93.2	Very high	97.2	Very high	133 Å²	133	14 Å²	14	52%	0.522	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-29.6	175.5	-68.7	-26.3	0	0	0	114.2	Q200 G251 L685	Q200-Y249 HydrophobicContact CB-CD1 3.62Å; Q200-Y249 HydrophobicContact CB-CE1 3.28Å; Q200-Y249 HydrophobicContact CB-CE2 4.31Å; Q200-Y249 HydrophobicContact CB-CG 4.31Å; Q200-Y249 HydrophobicContact CG-CD1 3.78Å; Q200-Y249 HydrophobicContact CG-CD2 3.85Å; Q200-Y249 HydrophobicContact CG-CE1 3.52Å; Q200-Y249 HydrophobicContact CG-CE2 3.57Å; Q200-Y249 HydrophobicContact CG-CG 3.98Å; Q200-Y249 VanDerWaalsContact CG-CZ 3.42Å; Y249-G251 PolarHBondContact O-N 3.27Å; Y249-L685 HydrophobicContact CD1-CD1 3.12Å; Y249-L685 HydrophobicContact CD1-CG 4.43Å; Y249-L685 HydrophobicContact CE1-CD1 3.52Å; Y249-L685 HydrophobicContact CG-CD1 3.9Å
250	G	92	Very high	97.3	Very high	59 Å²	59	14 Å²	14	61%	0.608	8%	0.08	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	0.4	175.7	0	0	0	0	0	114.9	K248	K248-G250 PolarHBondContact O-N 3.03Å
251	G	95.9	Very high	97.3	Very high	3 Å²	3	14 Å²	14	3%	0.031	8%	0.08	C	C	.	.	S	Bend	trans	86.6	0.9	179.8	0	0	0	0	0	115.6	K248 Y249 P682	K248-G251 PolarHBondContact O-N 3.46Å; Y249-G251 PolarHBondContact O-N 3.27Å; G251-P682 VanDerWaalsContact CA-C 3.49Å; G251-P682 WeakPolarHBondContact CA-O 3.43Å; G251-P682 WeakPolarHBondContact O-CB 3.45Å
252	T	96.7	Very high	97.4	Very high	45 Å²	45	14 Å²	14	28%	0.276	8%	0.08	S	C	.	.			trans	-82.2	142.3	172.5	56.8	0	0	0	0	111.2	K248 P291	K248-T252 WeakPolarHBondContact CB-O 3.26Å; K248-T252 PolarHBondContact N-O 3.13Å; T252-P291 CarbonylContact C-O 3.54Å; T252-P291 VanDerWaalsContact CA-O 3.29Å; T252-P291 WeakPolarHBondContact CA-O 3.22Å; T252-P291 HydrophobicContact CG2-CB 4.38Å
253	A	98.1	Very high	97.5	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.008	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	165.3	-178.5	0	0	0	0	0	111.6	R165 M245 G246 L247 T289 P291 P293 V296	R165-A253 PolarHBondContact NH2-O 2.92Å; M245-A253 HydrophobicContact CG-CB 4.35Å; M245-A253 HydrophobicContact SD-CB 4.44Å; G246-A253 WeakPolarHBondContact O-CA 3.4Å; G246-A253 WeakPolarHBondContact O-CB 3.33Å; L247-A253 HydrophobicContact CD1-CB 4.24Å; A253-T289 VanDerWaalsContact O-O 3.08Å; A253-P291 PolarHBondContact N-O 2.92Å; A253-P293 HydrophobicContact CB-CB 4.44Å; A253-P293 HydrophobicContact CB-CG 4Å; A253-V296 HydrophobicContact CB-CG2 3.95Å
254	F	98.5	Very high	97.4	Very high	1 Å²	1	13.9 Å²	13.9	0%	0.004	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	159.5	167.5	68.5	-86.6	0	0	0	108.9	L173 L174 V197 A199 F244 M245 G246 I256 F288	L173-F254 HydrophobicContact CB-CB 4.48Å; L173-F254 HydrophobicContact CB-CD1 4.25Å; L173-F254 HydrophobicContact CB-CG 4.14Å; L173-F254 HydrophobicContact CD1-CB 4.07Å; L173-F254 HydrophobicContact CD2-CB 4.32Å; L173-F254 HydrophobicContact CD2-CD1 4.2Å; L173-F254 HydrophobicContact CD2-CG 4.45Å; L174-F254 HydrophobicContact CD2-CD2 4.08Å; L174-F254 HydrophobicContact CD2-CE2 3.47Å; L174-F254 VanDerWaalsContact CD2-CE2 3.47Å; L174-F254 HydrophobicContact CD2-CZ 4.08Å; L174-F254 HydrophobicContact CG-CE2 4.42Å; V197-F254 HydrophobicContact CB-CZ 3.9Å; V197-F254 HydrophobicContact CG1-CE2 4.41Å; V197-F254 HydrophobicContact CG1-CZ 4.05Å; A199-F254 HydrophobicContact CB-CE1 4.24Å; F244-F254 HydrophobicContact CD1-CE2 4.36Å; F244-F254 AromaticContact CE1-CE2 3.93Å; F244-F254 HydrophobicContact CE1-CE2 3.93Å; F244-F254 AromaticContact CE1-CZ 3.97Å; F244-F254 HydrophobicContact CE1-CZ 3.97Å; M245-F254 CarbonylContact C-O 3.58Å; M245-F254 WeakPolarHBondContact CA-O 3.08Å; G246-F254 PolarHBondContact N-O 3.15Å; G246-F254 PolarHBondContact O-N 2.83Å; G246-F254 VanDerWaalsContact O-N 3.13Å; F254-I256 HydrophobicContact CD2-CG1 4.28Å; F254-I256 HydrophobicContact CE2-CD1 4.18Å; F254-I256 HydrophobicContact CE2-CG1 4.01Å; F254-F288 CarbonylContact C-O 3.57Å; F254-F288 VanDerWaalsContact CA-O 3.23Å; F254-F288 WeakPolarHBondContact CA-O 3.29Å; F254-F288 WeakPolarHBondContact CB-O 3.48Å
255	G	98.6	Very high	97.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	151	177.3	0	0	0	0	0	112.5	F244 V287 F288	F244-G255 CarbonylContact O-C 3.29Å; F244-G255 VanDerWaalsContact O-CA 3.24Å; F244-G255 WeakPolarHBondContact O-CA 3.35Å; G255-V287 WeakPolarHBondContact O-CA 3.35Å; G255-F288 PolarHBondContact N-O 3.47Å; G255-F288 PolarHBondContact O-N 2.76Å
256	I	98.6	Very high	97.2	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.9	167.6	-45.6	173	0	0	0	107.1	L174 V197 F243 F244 F254 I274 Y276 F285 F286	L174-I256 HydrophobicContact CD1-CD1 4.1Å; L174-I256 HydrophobicContact CD1-CG1 4.09Å; L174-I256 HydrophobicContact CD2-CD1 3.42Å; L174-I256 VanDerWaalsContact CD2-CD1 3.42Å; L174-I256 HydrophobicContact CD2-CG1 3.94Å; L174-I256 HydrophobicContact CG-CD1 4.43Å; V197-I256 HydrophobicContact CG1-CD1 4.5Å; F243-I256 WeakPolarHBondContact CA-O 3.28Å; F244-I256 HydrophobicContact CB-CB 4.48Å; F244-I256 HydrophobicContact CD1-CD1 3.98Å; F244-I256 HydrophobicContact CD1-CG1 4.12Å; F244-I256 HydrophobicContact CE1-CD1 4.42Å; F244-I256 PolarHBondContact N-O 2.99Å; F244-I256 PolarHBondContact O-N 2.98Å; F254-I256 HydrophobicContact CD2-CG1 4.28Å; F254-I256 HydrophobicContact CE2-CD1 4.18Å; F254-I256 HydrophobicContact CE2-CG1 4.01Å; I256-I274 HydrophobicContact CD1-CG2 4.14Å; I256-Y276 HydrophobicContact CG2-CE2 4.45Å; I256-Y276 WeakPolarHBondContact CG2-OH 3.28Å; I256-F285 HydrophobicContact CG2-CD1 3.91Å; I256-F286 CarbonylContact C-O 3.2Å; I256-F286 VanDerWaalsContact CA-O 3.32Å; I256-F286 WeakPolarHBondContact CA-O 3.3Å
257	F	98.7	Very high	97.1	Very high	1 Å²	1	14.1 Å²	14.1	0%	0.004	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.7	165.8	173.4	-128	0	0	0	109	N242 F243 L259 F285 F286 F288 Y300 L303 I304 A554	N242-F257 WeakPolarHBondContact O-CA 3.35Å; N242-F257 WeakPolarHBondContact O-CD2 3.36Å; F243-F257 HydrophobicContact CD2-CB 4.07Å; F257-L259 HydrophobicContact CD1-CB 4.45Å; F257-L259 HydrophobicContact CE1-CB 3.81Å; F257-L259 HydrophobicContact CE1-CD1 3.98Å; F257-L259 HydrophobicContact CE1-CG 4.4Å; F257-L259 HydrophobicContact CZ-CB 4.13Å; F257-L259 HydrophobicContact CZ-CD1 3.83Å; F257-F285 CarbonylContact O-C 3.51Å; F257-F285 WeakPolarHBondContact O-CA 3.47Å; F257-F286 HydrophobicContact CB-CB 4.28Å; F257-F286 AromaticContact CD1-CD2 3.68Å; F257-F286 HydrophobicContact CD1-CD2 3.68Å; F257-F286 HydrophobicContact CD1-CE2 4.25Å; F257-F286 HydrophobicContact CD1-CG 4.38Å; F257-F286 HydrophobicContact CE1-CD2 4.35Å; F257-F286 HydrophobicContact CE1-CE2 4.49Å; F257-F286 PolarHBondContact N-O 3.1Å; F257-F286 PolarHBondContact O-N 3.13Å; F257-F288 HydrophobicContact CB-CE2 3.69Å; F257-F288 HydrophobicContact CB-CZ 4.14Å; F257-Y300 HydrophobicContact CB-CD2 4.22Å; F257-Y300 HydrophobicContact CB-CE2 4.03Å; F257-Y300 HydrophobicContact CD1-CE2 4.11Å; F257-Y300 AromaticContact CD2-CE2 3.84Å; F257-Y300 HydrophobicContact CD2-CE2 3.84Å; F257-Y300 HydrophobicContact CE2-CE2 4.35Å; F257-Y300 HydrophobicContact CG-CD2 4.36Å; F257-Y300 AromaticContact CG-CE2 3.74Å; F257-Y300 HydrophobicContact CG-CE2 3.74Å; F257-L303 HydrophobicContact CD1-CD2 3.71Å; F257-L303 HydrophobicContact CE1-CD2 4.24Å; F257-I304 HydrophobicContact CE1-CG2 4.37Å; F257-A554 HydrophobicContact CE1-CB 4.49Å; F257-A554 HydrophobicContact CE2-CB 3.61Å; F257-A554 HydrophobicContact CZ-CB 3.46Å; F257-A554 VanDerWaalsContact CZ-CB 3.46Å
258	F	98.6	Very high	96.9	Very high	1 Å²	1	14.2 Å²	14.2	0%	0.004	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	107	172.9	-179.8	-153.1	0	0	0	109.8	N242 N260 Y276 T278 L283 D284 F285	N242-F258 HydrophobicContact CB-CB 4.33Å; N242-F258 VanDerWaalsContact ND2-CD1 3.29Å; N242-F258 WeakPolarHBondContact ND2-CD1 3.39Å; N242-F258 PolarHBondContact O-N 3.47Å; F258-N260 HydrophobicContact CD1-CB 4.37Å; F258-N260 HydrophobicContact CD2-CB 4.12Å; F258-N260 HydrophobicContact CE1-CB 3.86Å; F258-N260 HydrophobicContact CE2-CB 3.54Å; F258-N260 HydrophobicContact CG-CB 4.48Å; F258-N260 HydrophobicContact CZ-CB 3.41Å; F258-N260 VanDerWaalsContact CZ-CB 3.41Å; F258-N260 PolarHBondContact O-N 3.27Å; F258-N260 VanDerWaalsContact O-N 3.09Å; F258-Y276 HydrophobicContact CB-CD1 4.15Å; F258-Y276 HydrophobicContact CB-CE1 4.04Å; F258-Y276 AromaticContact CD1-CD1 3.63Å; F258-Y276 HydrophobicContact CD1-CD1 3.63Å; F258-Y276 HydrophobicContact CD1-CE1 4.37Å; F258-Y276 HydrophobicContact CD1-CG 4.06Å; F258-Y276 HydrophobicContact CG-CD1 4.24Å; F258-T278 HydrophobicContact CE1-CG2 4.02Å; F258-T278 HydrophobicContact CZ-CG2 3.74Å; F258-L283 HydrophobicContact CE1-CD2 4.45Å; F258-L283 HydrophobicContact CE2-CD2 4.09Å; F258-L283 HydrophobicContact CZ-CD2 3.67Å; F258-D284 WeakPolarHBondContact CD2-O 3.48Å; F258-F285 HydrophobicContact CB-CD1 3.8Å; F258-F285 HydrophobicContact CB-CE1 3.6Å; F258-F285 HydrophobicContact CD1-CE1 4.09Å; F258-F285 HydrophobicContact CD1-CZ 4.31Å; F258-F285 HydrophobicContact CD2-CD1 4Å; F258-F285 AromaticContact CD2-CE1 3.69Å; F258-F285 HydrophobicContact CD2-CE1 3.69Å; F258-F285 HydrophobicContact CD2-CE2 4.35Å; F258-F285 HydrophobicContact CD2-CG 4.45Å; F258-F285 AromaticContact CD2-CZ 3.87Å; F258-F285 HydrophobicContact CD2-CZ 3.87Å; F258-F285 HydrophobicContact CE2-CE1 4.47Å; F258-F285 HydrophobicContact CE2-CZ 4.21Å; F258-F285 HydrophobicContact CG-CD1 4.03Å; F258-F285 AromaticContact CG-CE1 3.5Å; F258-F285 HydrophobicContact CG-CE1 3.5Å; F258-F285 AromaticContact CG-CZ 3.97Å; F258-F285 HydrophobicContact CG-CZ 3.97Å
259	L	98.6	Very high	96.9	Very high	6 Å²	6	12.9 Å²	12.9	3%	0.031	8%	0.077	C	C	.	.			trans	-80.2	90	178.7	-179.2	59.1	0	0	0	110.3	P133 I135 L137 F257 D284 F286 F553	P133-L259 HydrophobicContact CB-CD1 4.08Å; P133-L259 HydrophobicContact CG-CD1 4.09Å; P133-L259 HydrophobicContact CG-CG 4.3Å; I135-L259 HydrophobicContact CD1-CD1 3.63Å; I135-L259 HydrophobicContact CG1-CD1 3.95Å; L137-L259 HydrophobicContact CD1-CD2 3.84Å; L137-L259 HydrophobicContact CD2-CD2 4.12Å; L137-L259 HydrophobicContact CG-CD2 4.47Å; F257-L259 HydrophobicContact CD1-CB 4.45Å; F257-L259 HydrophobicContact CE1-CB 3.81Å; F257-L259 HydrophobicContact CE1-CD1 3.98Å; F257-L259 HydrophobicContact CE1-CG 4.4Å; F257-L259 HydrophobicContact CZ-CB 4.13Å; F257-L259 HydrophobicContact CZ-CD1 3.83Å; L259-D284 HydrophobicContact CB-CB 4.29Å; L259-D284 PolarHBondContact N-O 3.26Å; L259-F286 HydrophobicContact CB-CE2 3.95Å; L259-F286 HydrophobicContact CD2-CE2 4.12Å; L259-F553 HydrophobicContact CD1-CE1 4.12Å; L259-F553 HydrophobicContact CD1-CZ 4.4Å
260	N	98.6	Very high	96.9	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.011	6%	0.061	C	C	.	.			trans	-153	133.5	174.1	-169.6	-73.3	0	0	0	109.6	F258 N262 Q264 T278 G280 I282	F258-N260 HydrophobicContact CD1-CB 4.37Å; F258-N260 HydrophobicContact CD2-CB 4.12Å; F258-N260 HydrophobicContact CE1-CB 3.86Å; F258-N260 HydrophobicContact CE2-CB 3.54Å; F258-N260 HydrophobicContact CG-CB 4.48Å; F258-N260 HydrophobicContact CZ-CB 3.41Å; F258-N260 VanDerWaalsContact CZ-CB 3.41Å; F258-N260 PolarHBondContact O-N 3.27Å; F258-N260 VanDerWaalsContact O-N 3.09Å; N260-N262 WeakPolarHBondContact OD1-CB 3.37Å; N260-N262 PolarHBondContact OD1-N 2.79Å; N260-Q264 PolarHBondContact O-NE2 2.82Å; N260-Q264 VanDerWaalsContact O-NE2 3.13Å; N260-T278 PolarHBondContact OD1-OG1 2.77Å; N260-G280 PolarHBondContact ND2-O 2.92Å; N260-I282 PolarHBondContact ND2-O 3.37Å
261	S	98.5	Very high	97	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.038	C	C	.	.			trans	-105.8	-3	-177	64.7	0	0	0	0	113.8	W131 N519 N522	W131-S261 PolarHBondContact NE1-OG 3.41Å; S261-N519 PolarHBondContact OG-O 2.88Å; S261-N522 WeakPolarHBondContact O-CB 3.49Å; S261-N522 PolarHBondContact O-ND2 3.31Å
262	N	98.7	Very high	97	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	-69.5	164.4	173.9	-64.5	102.3	0	0	0	110.6	N260 Q264 T278 I279 G280 G281 Y518 N519 N522	N260-N262 WeakPolarHBondContact OD1-CB 3.37Å; N260-N262 PolarHBondContact OD1-N 2.79Å; N262-Q264 PolarHBondContact O-N 3.14Å; N262-T278 WeakPolarHBondContact CB-OG1 3.21Å; N262-I279 HydrophobicContact CB-CG1 4.03Å; N262-G280 WeakPolarHBondContact OD1-CA 3.34Å; N262-G280 PolarHBondContact OD1-O 3.31Å; N262-G281 PolarHBondContact OD1-N 3.05Å; N262-Y518 VanDerWaalsContact ND2-CD1 3.27Å; N262-Y518 WeakPolarHBondContact ND2-CD1 3.42Å; N262-Y518 WeakPolarHBondContact ND2-CE1 3.13Å; N262-Y518 PolarHBondContact ND2-O 2.84Å; N262-N519 PolarHBondContact ND2-OD1 3.01Å; N262-N522 PolarHBondContact O-ND2 3.44Å
263	A	98.4	Very high	96.9	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.034	C	C	.	.	S	Bend	trans	-58.4	130.3	172.5	0	0	0	0	0	109.7	W225 I279 P494 L501	W225-A263 HydrophobicContact CB-CB 4.41Å; W225-A263 HydrophobicContact CD2-CB 3.75Å; W225-A263 VanDerWaalsContact CE3-CA 3.46Å; W225-A263 HydrophobicContact CE3-CB 3.33Å; W225-A263 HydrophobicContact CG-CB 4.25Å; W225-A263 HydrophobicContact CZ3-CB 3.76Å; A263-I279 HydrophobicContact CB-CD1 3.58Å; A263-I279 HydrophobicContact CB-CG1 4.07Å; A263-I279 WeakPolarHBondContact O-CG1 3.46Å; A263-I279 PolarHBondContact O-N 3.21Å; A263-P494 HydrophobicContact CB-CG 4.01Å; A263-L501 HydrophobicContact CB-CD2 3.63Å
264	Q	97.2	Very high	96.9	Very high	1 Å²	1	5.6 Å²	5.6	1%	0.005	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	166.9	-171.5	61.7	-171.5	-25.8	0	0	111.6	A223 L224 N242 N260 N262 R277	A223-Q264 CarbonylContact C-O 3.49Å; A223-Q264 VanDerWaalsContact CA-O 3.3Å; A223-Q264 WeakPolarHBondContact CA-O 3.42Å; L224-Q264 HydrophobicContact CB-CG 3.76Å; L224-Q264 HydrophobicContact CD1-CG 4.12Å; L224-Q264 HydrophobicContact CG-CG 4.33Å; L224-Q264 PolarHBondContact N-O 3.16Å; L224-Q264 PolarHBondContact O-N 2.82Å; N242-Q264 VanDerWaalsContact ND2-CD 3.26Å; N242-Q264 PolarHBondContact ND2-NE2 3Å; N242-Q264 PolarHBondContact ND2-OE1 2.97Å; N260-Q264 PolarHBondContact O-NE2 2.82Å; N260-Q264 VanDerWaalsContact O-NE2 3.13Å; N262-Q264 PolarHBondContact O-N 3.14Å; Q264-R277 CarbonylContact C-O 3.54Å; Q264-R277 WeakPolarHBondContact CA-O 3.15Å; Q264-R277 VanDerWaalsContact CB-O 3.23Å; Q264-R277 WeakPolarHBondContact CB-O 3.5Å
265	E	95.2	Very high	96.8	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.005	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142	175.3	-171.5	-176.9	98.3	0	0	109.6	R221 A222 R277 Y492 P494 K495	R221-E265 IonicContact CZ-OE1 2.75Å; R221-E265 VanDerWaalsContact CZ-OE1 3.24Å; R221-E265 IonicContact CZ-OE2 3.25Å; R221-E265 VanDerWaalsContact NE-CD 3.3Å; R221-E265 IonicContact NE-OE1 3.22Å; R221-E265 PolarHBondContact NE-OE1 3.14Å; R221-E265 IonicContact NE-OE2 2.78Å; R221-E265 PolarHBondContact NE-OE2 2.74Å; R221-E265 IonicContact NH2-OE1 2.63Å; R221-E265 PolarHBondContact NH2-OE1 3.28Å; R221-E265 IonicContact NH2-OE2 3.63Å; R221-E265 PolarHBondContact NH2-OE2 3.22Å; A222-E265 CarbonylContact O-C 3.56Å; A222-E265 VanDerWaalsContact O-CA 3.31Å; A222-E265 WeakPolarHBondContact O-CA 3.43Å; A222-E265 WeakPolarHBondContact O-CG 3.5Å; E265-R277 HydrophobicContact CB-CB 4.36Å; E265-R277 PolarHBondContact N-O 2.84Å; E265-R277 PolarHBondContact O-N 2.84Å; E265-R277 IonicContact OE1-CZ 3Å; E265-R277 IonicContact OE1-NH1 2.76Å; E265-R277 PolarHBondContact OE1-NH1 2.99Å; E265-Y492 PolarHBondContact OE1-OH 3.14Å; E265-Y492 PolarHBondContact OE2-OH 3.35Å; E265-P494 HydrophobicContact CB-CB 4.18Å; E265-K495 WeakPolarHBondContact OE2-CB 3.36Å; E265-K495 PolarHBondContact OE2-N 3.23Å
266	V	95.5	Very high	96.8	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130.2	168.5	-179.3	0	0	0	0	108.7	P205 R221 A222 L224 I268 I274 T275 Y276	P205-V266 HydrophobicContact CG-CB 3.99Å; P205-V266 HydrophobicContact CG-CG1 4.14Å; P205-V266 HydrophobicContact CG-CG2 4.01Å; R221-V266 WeakPolarHBondContact CA-O 3.44Å; A222-V266 PolarHBondContact N-O 2.92Å; A222-V266 PolarHBondContact O-N 3.15Å; L224-V266 HydrophobicContact CD1-CG2 4.45Å; V266-I268 HydrophobicContact CG1-CG1 4.45Å; V266-I274 HydrophobicContact CG1-CD1 3.54Å; V266-I274 HydrophobicContact CG1-CG1 3.56Å; V266-T275 WeakPolarHBondContact CA-O 3.42Å; V266-Y276 HydrophobicContact CG2-CD1 3.85Å; V266-Y276 HydrophobicContact CG2-CE1 3.99Å
267	A	95	Very high	96.8	Very high	5 Å²	5	6 Å²	6	4%	0.041	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.4	171.8	0	0	0	0	0	110.6	M220 R221 I274 T275	M220-A267 CarbonylContact O-C 3.59Å; M220-A267 WeakPolarHBondContact O-CA 3.49Å; R221-A267 HydrophobicContact CG-CB 4.02Å; A267-I274 CarbonylContact O-C 3.55Å; A267-I274 VanDerWaalsContact O-CA 3.29Å; A267-I274 WeakPolarHBondContact O-CA 3.28Å; A267-T275 PolarHBondContact N-O 2.94Å; A267-T275 PolarHBondContact O-N 3.36Å
268	I	94.7	Very high	96.8	Very high	1 Å²	1	6 Å²	6	1%	0.005	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.3	173.9	-61.7	177.6	0	0	0	107.8	N214 F216 T218 W219 M220 F244 V266 A273	N214-I268 HydrophobicContact CB-CD1 4.22Å; F216-I268 HydrophobicContact CD1-CG2 3.52Å; F216-I268 HydrophobicContact CE1-CG2 3.68Å; T218-I268 VanDerWaalsContact O-O 3.13Å; W219-I268 CarbonylContact C-O 3.53Å; M220-I268 HydrophobicContact CB-CB 4.31Å; M220-I268 HydrophobicContact CE-CB 4.14Å; M220-I268 HydrophobicContact CE-CD1 3.51Å; M220-I268 HydrophobicContact CE-CG1 3.72Å; M220-I268 PolarHBondContact N-O 2.89Å; M220-I268 PolarHBondContact O-N 3.2Å; M220-I268 HydrophobicContact SD-CD1 4.31Å; F244-I268 HydrophobicContact CD2-CD1 4.46Å; F244-I268 HydrophobicContact CE2-CD1 4.19Å; V266-I268 HydrophobicContact CG1-CG1 4.45Å; I268-A273 WeakPolarHBondContact CA-O 3.31Å
269	T	94.8	Very high	96.7	Very high	10 Å²	10	5.9 Å²	5.9	6%	0.061	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	164.8	-169.9	67	0	0	0	0	112.2	W219 L271 P272 A273	W219-T269 HydrophobicContact CE3-CG2 3.52Å; W219-T269 HydrophobicContact CZ3-CG2 3.54Å; T269-L271 PolarHBondContact O-N 3.46Å; T269-L271 VanDerWaalsContact O-N 3.11Å; T269-P272 VanDerWaalsContact O-CA 3.32Å; T269-P272 WeakPolarHBondContact O-CA 3.4Å; T269-A273 PolarHBondContact N-O 3.47Å; T269-A273 PolarHBondContact O-N 3.44Å; T269-A273 PolarHBondContact OG1-O 3.2Å
270	P	94.4	Very high	96.7	Very high	27 Å²	27	5.8 Å²	5.8	18%	0.175	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-0.3	179.4	-20.5	34.5	0	0	0	116.9	V31 F216 T218 W219 P272	V31-P270 VanDerWaalsContact CG1-C 3.48Å; V31-P270 HydrophobicContact CG1-CB 4.12Å; V31-P270 VanDerWaalsContact CG1-O 3.24Å; V31-P270 WeakPolarHBondContact CG1-O 3.23Å; V31-P270 HydrophobicContact CG2-CB 4.35Å; F216-P270 WeakPolarHBondContact O-CA 3.19Å; F216-P270 WeakPolarHBondContact O-CB 3.47Å; T218-P270 WeakPolarHBondContact O-CD 3.28Å; W219-P270 HydrophobicContact CZ2-CG 4.23Å; P270-P272 VanDerWaalsContact O-CD 3.25Å; P270-P272 WeakPolarHBondContact O-CD 3.23Å
271	L	93.2	Very high	96.7	Very high	25 Å²	25	5.9 Å²	5.9	13%	0.131	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	1.8	178.5	-172.8	54.5	0	0	0	114.4	V31 Q32 L180 R196 T269 A273	V31-L271 HydrophobicContact CG1-CB 4.44Å; V31-L271 HydrophobicContact CG1-CD1 4.41Å; V31-L271 WeakPolarHBondContact O-CB 3.45Å; Q32-L271 HydrophobicContact CG-CD1 4.07Å; L180-L271 HydrophobicContact CD1-CD2 4.4Å; L180-L271 HydrophobicContact CD2-CD2 4.15Å; L180-L271 HydrophobicContact CG-CD2 4.5Å; R196-L271 PolarHBondContact NE-O 2.85Å; T269-L271 PolarHBondContact O-N 3.46Å; T269-L271 VanDerWaalsContact O-N 3.11Å; L271-A273 HydrophobicContact CB-CB 3.81Å; L271-A273 HydrophobicContact CD2-CB 4.06Å; L271-A273 HydrophobicContact CG-CB 4.2Å
272	P	95.6	Very high	96.7	Very high	35 Å²	35	6 Å²	6	23%	0.227	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn		-13.7	105.5	-90.4	19.9	-39.1	0	0	0	114.4	R196 V197 F216 T269 P270	R196-P272 WeakPolarHBondContact CA-O 3.49Å; R196-P272 WeakPolarHBondContact CG-O 3.38Å; V197-P272 HydrophobicContact CG2-CB 4Å; V197-P272 WeakPolarHBondContact CG2-O 3.43Å; V197-P272 PolarHBondContact N-O 2.75Å; V197-P272 WeakPolarHBondContact O-CG 3.22Å; F216-P272 HydrophobicContact CB-CB 3.85Å; F216-P272 HydrophobicContact CD1-CB 3.5Å; F216-P272 VanDerWaalsContact CD1-CB 3.5Å; F216-P272 HydrophobicContact CD2-CB 3.93Å; F216-P272 HydrophobicContact CE1-CB 3.96Å; F216-P272 HydrophobicContact CE2-CB 4.36Å; F216-P272 HydrophobicContact CG-CB 3.48Å; F216-P272 VanDerWaalsContact CG-CB 3.48Å; F216-P272 HydrophobicContact CZ-CB 4.37Å; T269-P272 VanDerWaalsContact O-CA 3.32Å; T269-P272 WeakPolarHBondContact O-CA 3.4Å; P270-P272 VanDerWaalsContact O-CD 3.25Å; P270-P272 WeakPolarHBondContact O-CD 3.23Å
273	A	96.1	Very high	96.7	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148.8	174.3	0	0	0	0	0	112	F195 I268 T269 L271	F195-A273 CarbonylContact O-C 3.59Å; F195-A273 WeakPolarHBondContact O-CA 3.22Å; F195-A273 WeakPolarHBondContact O-CB 3.27Å; I268-A273 WeakPolarHBondContact CA-O 3.31Å; T269-A273 PolarHBondContact N-O 3.47Å; T269-A273 PolarHBondContact O-N 3.44Å; T269-A273 PolarHBondContact OG1-O 3.2Å; L271-A273 HydrophobicContact CB-CB 3.81Å; L271-A273 HydrophobicContact CD2-CB 4.06Å; L271-A273 HydrophobicContact CG-CB 4.2Å
274	I	96.9	Very high	96.7	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	133.3	170.2	-171.7	159.9	0	0	0	109.1	S194 F195 V197 F244 I256 V266 A267 Y276	S194-I274 CarbonylContact C-O 3.49Å; S194-I274 VanDerWaalsContact CA-O 3.32Å; S194-I274 WeakPolarHBondContact CA-O 3.45Å; F195-I274 HydrophobicContact CB-CG2 4.08Å; F195-I274 PolarHBondContact N-O 3.24Å; F195-I274 PolarHBondContact O-N 2.72Å; V197-I274 HydrophobicContact CG1-CG2 3.83Å; F244-I274 HydrophobicContact CB-CD1 4.04Å; F244-I274 HydrophobicContact CD1-CD1 4.48Å; F244-I274 HydrophobicContact CD2-CD1 3.48Å; F244-I274 VanDerWaalsContact CD2-CD1 3.48Å; F244-I274 HydrophobicContact CE2-CD1 3.96Å; F244-I274 HydrophobicContact CG-CD1 3.76Å; I256-I274 HydrophobicContact CD1-CG2 4.14Å; V266-I274 HydrophobicContact CG1-CD1 3.54Å; V266-I274 HydrophobicContact CG1-CG1 3.56Å; A267-I274 CarbonylContact O-C 3.55Å; A267-I274 VanDerWaalsContact O-CA 3.29Å; A267-I274 WeakPolarHBondContact O-CA 3.28Å; I274-Y276 HydrophobicContact CD1-CE1 4.09Å; I274-Y276 HydrophobicContact CD1-CE2 4.08Å; I274-Y276 VanDerWaalsContact CD1-OH 3.29Å; I274-Y276 WeakPolarHBondContact CD1-OH 3.37Å; I274-Y276 HydrophobicContact CG1-CD2 4.47Å; I274-Y276 HydrophobicContact CG1-CE1 4.42Å; I274-Y276 HydrophobicContact CG1-CE2 3.9Å; I274-Y276 HydrophobicContact CG2-CE2 3.88Å
275	T	97.6	Very high	96.8	Very high	5 Å²	5	6.1 Å²	6.1	3%	0.031	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127	174.7	-58.3	0	0	0	0	109.2	Q192 S194 V266 A267 R277	Q192-T275 HydrophobicContact CG-CG2 3.8Å; S194-T275 WeakPolarHBondContact CB-OG1 3.33Å; S194-T275 WeakPolarHBondContact OG-CB 3.45Å; S194-T275 VanDerWaalsContact OG-CG2 3.3Å; S194-T275 WeakPolarHBondContact OG-CG2 3.14Å; S194-T275 PolarHBondContact OG-OG1 2.56Å; V266-T275 WeakPolarHBondContact CA-O 3.42Å; A267-T275 PolarHBondContact N-O 2.94Å; A267-T275 PolarHBondContact O-N 3.36Å; T275-R277 HydrophobicContact CG2-CG 4.34Å
276	Y	98.2	Very high	96.9	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.2	175	-62.8	-84.8	0	0	0	109.1	Q192 I193 F195 N242 I256 F258 V266 I274 F285	Q192-Y276 VanDerWaalsContact CA-O 3.25Å; Q192-Y276 WeakPolarHBondContact CA-O 3.15Å; Q192-Y276 WeakPolarHBondContact CG-O 3.47Å; I193-Y276 PolarHBondContact N-O 2.94Å; I193-Y276 VanDerWaalsContact N-O 3.16Å; I193-Y276 PolarHBondContact O-N 2.8Å; F195-Y276 HydrophobicContact CD2-CD2 4.2Å; F195-Y276 HydrophobicContact CD2-CE2 4.04Å; F195-Y276 HydrophobicContact CE2-CD2 4.24Å; F195-Y276 HydrophobicContact CE2-CE2 4.26Å; N242-Y276 VanDerWaalsContact OD1-CE1 3.32Å; N242-Y276 WeakPolarHBondContact OD1-CE1 3.07Å; I256-Y276 HydrophobicContact CG2-CE2 4.45Å; I256-Y276 WeakPolarHBondContact CG2-OH 3.28Å; F258-Y276 HydrophobicContact CB-CD1 4.15Å; F258-Y276 HydrophobicContact CB-CE1 4.04Å; F258-Y276 AromaticContact CD1-CD1 3.63Å; F258-Y276 HydrophobicContact CD1-CD1 3.63Å; F258-Y276 HydrophobicContact CD1-CE1 4.37Å; F258-Y276 HydrophobicContact CD1-CG 4.06Å; F258-Y276 HydrophobicContact CG-CD1 4.24Å; V266-Y276 HydrophobicContact CG2-CD1 3.85Å; V266-Y276 HydrophobicContact CG2-CE1 3.99Å; I274-Y276 HydrophobicContact CD1-CE1 4.09Å; I274-Y276 HydrophobicContact CD1-CE2 4.08Å; I274-Y276 VanDerWaalsContact CD1-OH 3.29Å; I274-Y276 WeakPolarHBondContact CD1-OH 3.37Å; I274-Y276 HydrophobicContact CG1-CD2 4.47Å; I274-Y276 HydrophobicContact CG1-CE1 4.42Å; I274-Y276 HydrophobicContact CG1-CE2 3.9Å; I274-Y276 HydrophobicContact CG2-CE2 3.88Å; Y276-F285 HydrophobicContact CD1-CE1 4.23Å; Y276-F285 AromaticContact CD2-CE1 3.53Å; Y276-F285 HydrophobicContact CD2-CE1 3.53Å; Y276-F285 AromaticContact CD2-CZ 3.84Å; Y276-F285 HydrophobicContact CD2-CZ 3.84Å; Y276-F285 HydrophobicContact CE1-CE1 4.38Å; Y276-F285 HydrophobicContact CE2-CD1 4.48Å; Y276-F285 AromaticContact CE2-CE1 3.7Å; Y276-F285 HydrophobicContact CE2-CE1 3.7Å; Y276-F285 HydrophobicContact CE2-CZ 4.43Å; Y276-F285 AromaticContact CG-CE1 3.8Å; Y276-F285 HydrophobicContact CG-CE1 3.8Å; Y276-F285 HydrophobicContact CG-CZ 4.03Å
277	R	98	Very high	97.1	Very high	6 Å²	6	6.1 Å²	6.1	2%	0.023	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	124.7	172.9	-64.2	168.8	-175.6	143.1	-4.3	108.5	D35 P38 F190 L191 Q192 Q264 E265 T275 Y492	D35-R277 PolarHBondContact O-NH2 2.91Å; D35-R277 IonicContact OD2-NH1 3.96Å; D35-R277 IonicContact OD2-NH2 3.53Å; P38-R277 VanDerWaalsContact CB-CZ 3.42Å; F190-R277 HydrophobicContact CE2-CB 4.42Å; F190-R277 HydrophobicContact CE2-CG 4.42Å; F190-R277 HydrophobicContact CZ-CG 4.29Å; L191-R277 CarbonylContact O-C 3.6Å; L191-R277 VanDerWaalsContact O-CA 3.3Å; L191-R277 WeakPolarHBondContact O-CA 3.09Å; Q192-R277 HydrophobicContact CB-CG 4.41Å; Q192-R277 HydrophobicContact CG-CG 3.92Å; Q264-R277 CarbonylContact C-O 3.54Å; Q264-R277 WeakPolarHBondContact CA-O 3.15Å; Q264-R277 VanDerWaalsContact CB-O 3.23Å; Q264-R277 WeakPolarHBondContact CB-O 3.5Å; E265-R277 HydrophobicContact CB-CB 4.36Å; E265-R277 PolarHBondContact N-O 2.84Å; E265-R277 PolarHBondContact O-N 2.84Å; E265-R277 IonicContact OE1-CZ 3Å; E265-R277 IonicContact OE1-NH1 2.76Å; E265-R277 PolarHBondContact OE1-NH1 2.99Å; T275-R277 HydrophobicContact CG2-CG 4.34Å; R277-Y492 HydrophobicContact CB-CE1 4.22Å
278	T	98.3	Very high	97.2	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	152.7	174.1	-179.6	0	0	0	0	110.4	F190 L191 F258 N260 N262 L283	F190-T278 WeakPolarHBondContact CA-O 3.17Å; L191-T278 HydrophobicContact CB-CG2 3.8Å; L191-T278 HydrophobicContact CD1-CG2 4.07Å; L191-T278 HydrophobicContact CG-CG2 4.36Å; L191-T278 PolarHBondContact N-O 3.17Å; L191-T278 PolarHBondContact O-N 3.32Å; F258-T278 HydrophobicContact CE1-CG2 4.02Å; F258-T278 HydrophobicContact CZ-CG2 3.74Å; N260-T278 PolarHBondContact OD1-OG1 2.77Å; N262-T278 WeakPolarHBondContact CB-OG1 3.21Å; T278-L283 HydrophobicContact CG2-CD2 4.43Å
279	I	98.1	Very high	97.4	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.037	C	C	.	.	S	Bend	trans	-91.6	5.2	-178.3	68.4	175.2	0	0	0	113.4	Q189 N262 A263 P490 Y492 P494 L501 Y518	Q189-I279 CarbonylContact C-O 3.51Å; Q189-I279 WeakPolarHBondContact CA-O 3.39Å; Q189-I279 WeakPolarHBondContact O-CA 3.3Å; N262-I279 HydrophobicContact CB-CG1 4.03Å; A263-I279 HydrophobicContact CB-CD1 3.58Å; A263-I279 HydrophobicContact CB-CG1 4.07Å; A263-I279 WeakPolarHBondContact O-CG1 3.46Å; A263-I279 PolarHBondContact O-N 3.21Å; I279-P490 HydrophobicContact CD1-CG 4.48Å; I279-Y492 HydrophobicContact CG2-CD1 3.8Å; I279-Y492 WeakPolarHBondContact CG2-O 3.44Å; I279-P494 HydrophobicContact CG2-CG 4.15Å; I279-L501 HydrophobicContact CD1-CD1 3.56Å; I279-L501 HydrophobicContact CD1-CD2 4.09Å; I279-L501 HydrophobicContact CD1-CG 4.46Å; I279-Y518 WeakPolarHBondContact CB-OH 3.29Å; I279-Y518 HydrophobicContact CD1-CD2 4.17Å; I279-Y518 HydrophobicContact CD1-CE1 4.12Å; I279-Y518 HydrophobicContact CD1-CE2 3.35Å; I279-Y518 WeakPolarHBondContact CD1-OH 3.39Å; I279-Y518 HydrophobicContact CG1-CE1 3.9Å; I279-Y518 HydrophobicContact CG1-CE2 4.02Å; I279-Y518 VanDerWaalsContact CG1-CZ 3.43Å; I279-Y518 WeakPolarHBondContact CG1-OH 3.38Å; I279-Y518 WeakPolarHBondContact O-CE1 3.34Å; I279-Y518 PolarHBondContact O-OH 2.85Å
280	G	97.9	Very high	97.4	Very high	3 Å²	3	5.5 Å²	5.5	3%	0.031	4%	0.035	C	C	.	.	S	Bend	trans	-171.7	-177.2	-177.6	0	0	0	0	0	114.7	N260 N262	N260-G280 PolarHBondContact ND2-O 2.92Å; N262-G280 WeakPolarHBondContact OD1-CA 3.34Å; N262-G280 PolarHBondContact OD1-O 3.31Å
281	G	98.1	Very high	97.5	Very high	4 Å²	4	6.7 Å²	6.7	4%	0.041	4%	0.042	C	C	.	.	S	Bend	trans	67.8	-140.9	179.2	0	0	0	0	0	113.2	R130 W131 L191 N262	R130-G281 VanDerWaalsContact CZ-O 3.31Å; R130-G281 PolarHBondContact NE-O 3.38Å; R130-G281 PolarHBondContact NH2-O 2.86Å; W131-G281 WeakPolarHBondContact O-CA 3.47Å; L191-G281 WeakPolarHBondContact CD2-O 3.3Å; N262-G281 PolarHBondContact OD1-N 3.05Å
282	I	98.5	Very high	97.7	Very high	4 Å²	4	10.7 Å²	10.7	2%	0.021	6%	0.058	C	C	.	.			trans	-122.9	172.3	177.7	67.1	167.4	0	0	0	111.1	F122 T123 R130 E132 N260 D284	F122-I282 WeakPolarHBondContact O-CB 3.36Å; T123-I282 HydrophobicContact CG2-CD1 4.22Å; R130-I282 HydrophobicContact CB-CG2 3.83Å; E132-I282 VanDerWaalsContact CD-CD1 3.43Å; E132-I282 HydrophobicContact CG-CD1 3.62Å; E132-I282 HydrophobicContact CG-CG1 3.94Å; E132-I282 WeakPolarHBondContact OE2-CD1 3.25Å; N260-I282 PolarHBondContact ND2-O 3.37Å; I282-D284 HydrophobicContact CD1-CB 4.06Å; I282-D284 HydrophobicContact CG1-CB 4.19Å
283	L	98.8	Very high	97.8	Very high	1 Å²	1	9 Å²	9	1%	0.005	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	105.7	167.2	-60.7	175.8	0	0	0	109.2	R121 F122 L184 F186 L191 I193 F258 T278 F285	R121-L283 CarbonylContact C-O 3.54Å; R121-L283 VanDerWaalsContact CA-O 3.32Å; R121-L283 WeakPolarHBondContact CA-O 3.42Å; F122-L283 HydrophobicContact CB-CB 4.02Å; F122-L283 HydrophobicContact CB-CD1 4.41Å; F122-L283 HydrophobicContact CD2-CB 3.84Å; F122-L283 HydrophobicContact CD2-CD1 4.22Å; F122-L283 HydrophobicContact CG-CB 4.31Å; F122-L283 HydrophobicContact CG-CD1 4.39Å; F122-L283 PolarHBondContact N-O 2.8Å; L184-L283 HydrophobicContact CD1-CD1 3.82Å; F186-L283 HydrophobicContact CD2-CD1 4.22Å; F186-L283 HydrophobicContact CE2-CD1 4.1Å; F186-L283 HydrophobicContact CE2-CG 4.04Å; L191-L283 HydrophobicContact CB-CD2 3.82Å; L191-L283 HydrophobicContact CB-CG 4.19Å; L191-L283 HydrophobicContact CD2-CD2 4.33Å; L191-L283 HydrophobicContact CD2-CG 4.1Å; I193-L283 HydrophobicContact CB-CD1 4.25Å; I193-L283 HydrophobicContact CG2-CD1 4.18Å; F258-L283 HydrophobicContact CE1-CD2 4.45Å; F258-L283 HydrophobicContact CE2-CD2 4.09Å; F258-L283 HydrophobicContact CZ-CD2 3.67Å; T278-L283 HydrophobicContact CG2-CD2 4.43Å; L283-F285 HydrophobicContact CB-CD2 4.38Å; L283-F285 HydrophobicContact CB-CE2 3.82Å; L283-F285 HydrophobicContact CD2-CE2 4.26Å; L283-F285 HydrophobicContact CD2-CZ 4.4Å; L283-F285 HydrophobicContact CG-CE2 4.45Å
284	D	98.6	Very high	97.9	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	100.5	179.9	-172.7	2.3	0	0	0	110.6	R119 R121 F258 L259 I282	R119-D284 WeakPolarHBondContact CG-OD1 3.28Å; R119-D284 IonicContact CZ-OD1 3.99Å; R119-D284 IonicContact CZ-OD2 3.39Å; R119-D284 IonicContact NE-OD1 2.65Å; R119-D284 PolarHBondContact NE-OD1 2.68Å; R119-D284 IonicContact NE-OD2 2.73Å; R119-D284 PolarHBondContact NE-OD2 2.95Å; R119-D284 IonicContact NH2-OD1 3.41Å; R119-D284 IonicContact NH2-OD2 3Å; R119-D284 PolarHBondContact NH2-OD2 2.83Å; R121-D284 HydrophobicContact CG-CB 4.39Å; R121-D284 VanDerWaalsContact CG-OD1 3.26Å; R121-D284 WeakPolarHBondContact CG-OD1 3.37Å; R121-D284 IonicContact NE-OD2 3.95Å; F258-D284 WeakPolarHBondContact CD2-O 3.48Å; L259-D284 HydrophobicContact CB-CB 4.29Å; L259-D284 PolarHBondContact N-O 3.26Å; I282-D284 HydrophobicContact CD1-CB 4.06Å; I282-D284 HydrophobicContact CG1-CB 4.19Å
285	F	98.8	Very high	97.9	Very high	1 Å²	1	13.4 Å²	13.4	0%	0.004	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	140.6	-175.7	-66	-81.7	0	0	0	111.8	R119 I120 I193 F195 I256 F257 F258 Y276 L283	R119-F285 CarbonylContact C-O 3.52Å; R119-F285 VanDerWaalsContact CA-O 3.28Å; R119-F285 WeakPolarHBondContact CA-O 3.43Å; I120-F285 HydrophobicContact CB-CB 4.41Å; I120-F285 PolarHBondContact N-O 2.99Å; I120-F285 PolarHBondContact O-N 2.79Å; I193-F285 HydrophobicContact CG2-CE2 3.53Å; I193-F285 HydrophobicContact CG2-CZ 3.4Å; I193-F285 VanDerWaalsContact CG2-CZ 3.4Å; F195-F285 HydrophobicContact CE2-CD1 4.44Å; F195-F285 HydrophobicContact CE2-CE1 4.16Å; F195-F285 HydrophobicContact CE2-CE2 4.26Å; F195-F285 HydrophobicContact CE2-CZ 4.07Å; F195-F285 HydrophobicContact CZ-CD2 4.45Å; F195-F285 HydrophobicContact CZ-CE2 4.42Å; I256-F285 HydrophobicContact CG2-CD1 3.91Å; F257-F285 CarbonylContact O-C 3.51Å; F257-F285 WeakPolarHBondContact O-CA 3.47Å; F258-F285 HydrophobicContact CB-CD1 3.8Å; F258-F285 HydrophobicContact CB-CE1 3.6Å; F258-F285 HydrophobicContact CD1-CE1 4.09Å; F258-F285 HydrophobicContact CD1-CZ 4.31Å; F258-F285 HydrophobicContact CD2-CD1 4Å; F258-F285 AromaticContact CD2-CE1 3.69Å; F258-F285 HydrophobicContact CD2-CE1 3.69Å; F258-F285 HydrophobicContact CD2-CE2 4.35Å; F258-F285 HydrophobicContact CD2-CG 4.45Å; F258-F285 AromaticContact CD2-CZ 3.87Å; F258-F285 HydrophobicContact CD2-CZ 3.87Å; F258-F285 HydrophobicContact CE2-CE1 4.47Å; F258-F285 HydrophobicContact CE2-CZ 4.21Å; F258-F285 HydrophobicContact CG-CD1 4.03Å; F258-F285 AromaticContact CG-CE1 3.5Å; F258-F285 HydrophobicContact CG-CE1 3.5Å; F258-F285 AromaticContact CG-CZ 3.97Å; F258-F285 HydrophobicContact CG-CZ 3.97Å; Y276-F285 HydrophobicContact CD1-CE1 4.23Å; Y276-F285 AromaticContact CD2-CE1 3.53Å; Y276-F285 HydrophobicContact CD2-CE1 3.53Å; Y276-F285 AromaticContact CD2-CZ 3.84Å; Y276-F285 HydrophobicContact CD2-CZ 3.84Å; Y276-F285 HydrophobicContact CE1-CE1 4.38Å; Y276-F285 HydrophobicContact CE2-CD1 4.48Å; Y276-F285 AromaticContact CE2-CE1 3.7Å; Y276-F285 HydrophobicContact CE2-CE1 3.7Å; Y276-F285 HydrophobicContact CE2-CZ 4.43Å; Y276-F285 AromaticContact CG-CE1 3.8Å; Y276-F285 HydrophobicContact CG-CE1 3.8Å; Y276-F285 HydrophobicContact CG-CZ 4.03Å; L283-F285 HydrophobicContact CB-CD2 4.38Å; L283-F285 HydrophobicContact CB-CE2 3.82Å; L283-F285 HydrophobicContact CD2-CE2 4.26Å; L283-F285 HydrophobicContact CD2-CZ 4.4Å; L283-F285 HydrophobicContact CG-CE2 4.45Å
286	F	98.7	Very high	98	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	132.2	166.6	-59.1	-101.2	0	0	0	109	R117 L118 R119 L137 I256 F257 L259 F288 L303	R117-F286 HydrophobicContact CG-CD1 4.41Å; L118-F286 CarbonylContact O-C 3.48Å; L118-F286 WeakPolarHBondContact O-CA 3.42Å; R119-F286 HydrophobicContact CB-CD1 4.15Å; R119-F286 HydrophobicContact CB-CE1 4.17Å; R119-F286 VanDerWaalsContact CD-CE1 3.42Å; R119-F286 HydrophobicContact CG-CD1 3.99Å; R119-F286 HydrophobicContact CG-CE1 3.72Å; R119-F286 HydrophobicContact CG-CE2 4.45Å; R119-F286 HydrophobicContact CG-CG 4.5Å; R119-F286 HydrophobicContact CG-CZ 3.96Å; R119-F286 VanDerWaalsContact NE-CZ 3.28Å; L137-F286 HydrophobicContact CD1-CZ 3.84Å; I256-F286 CarbonylContact C-O 3.2Å; I256-F286 VanDerWaalsContact CA-O 3.32Å; I256-F286 WeakPolarHBondContact CA-O 3.3Å; F257-F286 HydrophobicContact CB-CB 4.28Å; F257-F286 AromaticContact CD1-CD2 3.68Å; F257-F286 HydrophobicContact CD1-CD2 3.68Å; F257-F286 HydrophobicContact CD1-CE2 4.25Å; F257-F286 HydrophobicContact CD1-CG 4.38Å; F257-F286 HydrophobicContact CE1-CD2 4.35Å; F257-F286 HydrophobicContact CE1-CE2 4.49Å; F257-F286 PolarHBondContact N-O 3.1Å; F257-F286 PolarHBondContact O-N 3.13Å; L259-F286 HydrophobicContact CB-CE2 3.95Å; L259-F286 HydrophobicContact CD2-CE2 4.12Å; F286-F288 HydrophobicContact CB-CE1 4.31Å; F286-F288 HydrophobicContact CB-CE2 4.12Å; F286-F288 HydrophobicContact CB-CZ 3.75Å; F286-L303 HydrophobicContact CB-CD2 3.91Å; F286-L303 HydrophobicContact CD1-CD1 3.79Å; F286-L303 HydrophobicContact CD1-CD2 3.43Å; F286-L303 VanDerWaalsContact CD1-CD2 3.43Å; F286-L303 HydrophobicContact CD1-CG 4.26Å; F286-L303 HydrophobicContact CD2-CD2 3.73Å; F286-L303 HydrophobicContact CE1-CD1 3.47Å; F286-L303 VanDerWaalsContact CE1-CD1 3.47Å; F286-L303 HydrophobicContact CE1-CD2 3.78Å; F286-L303 HydrophobicContact CE1-CG 4.28Å; F286-L303 HydrophobicContact CE2-CD2 4.09Å; F286-L303 HydrophobicContact CG-CD2 3.4Å; F286-L303 HydrophobicContact CZ-CD1 4.06Å; F286-L303 HydrophobicContact CZ-CD2 4.1Å
287	V	98.6	Very high	98	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.006	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.8	176.5	-173.8	0	0	0	0	108.6	R117 L118 I120 I163 L174 G255	R117-V287 WeakPolarHBondContact CA-O 3.35Å; L118-V287 HydrophobicContact CB-CB 4.29Å; L118-V287 PolarHBondContact N-O 2.84Å; L118-V287 PolarHBondContact O-N 3.11Å; I120-V287 HydrophobicContact CD1-CG2 4.23Å; I163-V287 HydrophobicContact CG2-CG1 4.27Å; L174-V287 HydrophobicContact CD1-CB 4.39Å; L174-V287 HydrophobicContact CD1-CG1 3.85Å; L174-V287 HydrophobicContact CD1-CG2 3.58Å; G255-V287 WeakPolarHBondContact O-CA 3.35Å
288	F	98.4	Very high	98	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.7	-179.6	-50.1	-77	0	0	0	109.4	T116 R117 F243 F254 G255 F257 F286 V296 Q299 Y300 L303	T116-F288 WeakPolarHBondContact O-CA 3.37Å; R117-F288 HydrophobicContact CB-CD1 4.41Å; R117-F288 VanDerWaalsContact CD-CE1 3.45Å; R117-F288 HydrophobicContact CG-CD1 3.92Å; R117-F288 HydrophobicContact CG-CE1 3.8Å; F243-F288 HydrophobicContact CD2-CE2 4.22Å; F243-F288 AromaticContact CE2-CD2 3.76Å; F243-F288 HydrophobicContact CE2-CD2 3.76Å; F243-F288 AromaticContact CE2-CE2 3.72Å; F243-F288 HydrophobicContact CE2-CE2 3.72Å; F254-F288 CarbonylContact C-O 3.57Å; F254-F288 VanDerWaalsContact CA-O 3.23Å; F254-F288 WeakPolarHBondContact CA-O 3.29Å; F254-F288 WeakPolarHBondContact CB-O 3.48Å; G255-F288 PolarHBondContact N-O 3.47Å; G255-F288 PolarHBondContact O-N 2.76Å; F257-F288 HydrophobicContact CB-CE2 3.69Å; F257-F288 HydrophobicContact CB-CZ 4.14Å; F286-F288 HydrophobicContact CB-CE1 4.31Å; F286-F288 HydrophobicContact CB-CE2 4.12Å; F286-F288 HydrophobicContact CB-CZ 3.75Å; F288-V296 HydrophobicContact CB-CG1 4.24Å; F288-Q299 HydrophobicContact CB-CB 3.99Å; F288-Q299 HydrophobicContact CD1-CB 3.68Å; F288-Q299 WeakPolarHBondContact CD1-O 3.36Å; F288-Q299 WeakPolarHBondContact CE1-O 3.34Å; F288-Q299 HydrophobicContact CG-CB 4.15Å; F288-Y300 AromaticContact CE2-CD2 3.84Å; F288-Y300 HydrophobicContact CE2-CD2 3.84Å; F288-Y300 HydrophobicContact CE2-CG 4.42Å; F288-Y300 AromaticContact CZ-CD2 3.76Å; F288-Y300 HydrophobicContact CZ-CD2 3.76Å; F288-Y300 HydrophobicContact CZ-CG 4.45Å; F288-L303 HydrophobicContact CE1-CB 4.16Å; F288-L303 HydrophobicContact CE1-CD2 4.19Å; F288-L303 HydrophobicContact CZ-CB 4.31Å; F288-L303 HydrophobicContact CZ-CD2 3.72Å
289	T	96.9	Very high	98	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.006	8%	0.081	C	C	.	.			trans	-83.8	-16.3	-169.6	54.4	0	0	0	0	114.9	T116 Y150 R165 L173 A253 Q299	T116-T289 WeakPolarHBondContact CA-OG1 3.21Å; T116-T289 WeakPolarHBondContact CB-OG1 3.39Å; T116-T289 PolarHBondContact O-N 2.87Å; T116-T289 PolarHBondContact O-OG1 3.4Å; Y150-T289 HydrophobicContact CD1-CG2 3.61Å; Y150-T289 HydrophobicContact CG-CG2 4.05Å; R165-T289 PolarHBondContact NH1-O 2.76Å; R165-T289 PolarHBondContact NH2-O 3.18Å; L173-T289 HydrophobicContact CD1-CG2 4.19Å; A253-T289 VanDerWaalsContact O-O 3.08Å; T289-Q299 VanDerWaalsContact N-OE1 3.12Å
290	G	95.6	Very high	98	Very high	2 Å²	2	15.4 Å²	15.4	2%	0.021	8%	0.081	C	C	.	.			trans	75	-136.8	-173.1	0	0	0	0	0	112.7	Q299	G290-Q299 PolarHBondContact O-NE2 3.39Å
291	P	96.1	Very high	98	Very high	52 Å²	52	15.2 Å²	15.2	34%	0.338	8%	0.08	S	C	.	.	S	Bend	cis	-93	-22	28.6	33	-36.5	0	0	0	116.4	T252 A253 D295	T252-P291 CarbonylContact C-O 3.54Å; T252-P291 VanDerWaalsContact CA-O 3.29Å; T252-P291 WeakPolarHBondContact CA-O 3.22Å; T252-P291 HydrophobicContact CG2-CB 4.38Å; A253-P291 PolarHBondContact N-O 2.92Å; P291-D295 WeakPolarHBondContact CD-OD2 3.25Å
292	K	97.1	Very high	98	Very high	108 Å²	108	18.6 Å²	18.6	47%	0.47	10%	0.097	S	C	.	.	S	Bend	trans	-87.4	158.2	-179.9	-60	-179.5	176.3	-174	0	111.1	L294 D295 V296	K292-L294 VanDerWaalsContact C-N 3.3Å; K292-L294 PolarHBondContact O-N 2.97Å; K292-D295 HydrophobicContact CB-CB 4.5Å; K292-D295 VanDerWaalsContact CB-OD2 3.25Å; K292-D295 WeakPolarHBondContact CB-OD2 3.43Å; K292-D295 PolarHBondContact N-OD2 3.28Å; K292-D295 WeakPolarHBondContact O-CB 3.38Å; K292-D295 PolarHBondContact O-N 2.98Å; K292-V296 PolarHBondContact O-N 3.48Å
293	P	98.2	Very high	98	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-53.5	-43.9	175.9	-28.9	36.5	0	0	0	113.6	M245 L247 A253 D295 V296 I297 F679 P682	M245-P293 HydrophobicContact CE-CB 4.01Å; M245-P293 HydrophobicContact SD-CB 3.92Å; L247-P293 HydrophobicContact CD1-CG 3.98Å; A253-P293 HydrophobicContact CB-CB 4.44Å; A253-P293 HydrophobicContact CB-CG 4Å; P293-D295 VanDerWaalsContact C-N 3.3Å; P293-D295 PolarHBondContact O-N 3.1Å; P293-V296 WeakPolarHBondContact O-CB 3.4Å; P293-V296 PolarHBondContact O-N 3.18Å; P293-I297 WeakPolarHBondContact O-CG1 3.35Å; P293-I297 PolarHBondContact O-N 3.34Å; P293-F679 HydrophobicContact CB-CB 4.16Å; P293-F679 HydrophobicContact CB-CD1 3.85Å; P293-F679 HydrophobicContact CB-CG 4.18Å; P293-F679 HydrophobicContact CG-CD1 4.5Å; P293-P682 HydrophobicContact CG-CB 3.95Å
294	L	97.9	Very high	97.9	Very high	31 Å²	31	18.5 Å²	18.5	16%	0.162	10%	0.096	C	C	.	.	H	α-helix	trans	-67.6	-29.1	177.6	-65.1	175.5	0	0	0	112.9	K292 I297 N298 T672 R675 F679	K292-L294 VanDerWaalsContact C-N 3.3Å; K292-L294 PolarHBondContact O-N 2.97Å; L294-I297 HydrophobicContact CD2-CD1 4.44Å; L294-N298 WeakPolarHBondContact O-CB 3.37Å; L294-N298 PolarHBondContact O-N 3.45Å; L294-T672 WeakPolarHBondContact CD2-OG1 3.28Å; L294-R675 VanDerWaalsContact CD1-NH1 3.34Å; L294-F679 HydrophobicContact CD2-CB 4.07Å; L294-F679 HydrophobicContact CG-CB 4.3Å
295	D	98	Very high	97.9	Very high	62 Å²	62	19.5 Å²	19.5	33%	0.332	11%	0.107	S	C	.	.	H	α-helix	trans	-68.6	-41.5	173.2	-55.8	-33.4	0	0	0	110.3	P291 K292 P293 N298 Q299	P291-D295 WeakPolarHBondContact CD-OD2 3.25Å; K292-D295 HydrophobicContact CB-CB 4.5Å; K292-D295 VanDerWaalsContact CB-OD2 3.25Å; K292-D295 WeakPolarHBondContact CB-OD2 3.43Å; K292-D295 PolarHBondContact N-OD2 3.28Å; K292-D295 WeakPolarHBondContact O-CB 3.38Å; K292-D295 PolarHBondContact O-N 2.98Å; P293-D295 VanDerWaalsContact C-N 3.3Å; P293-D295 PolarHBondContact O-N 3.1Å; D295-N298 PolarHBondContact O-N 3.33Å; D295-Q299 WeakPolarHBondContact O-CB 3.43Å; D295-Q299 VanDerWaalsContact O-CD 3.28Å; D295-Q299 WeakPolarHBondContact O-CG 3.3Å; D295-Q299 PolarHBondContact O-N 2.81Å
296	V	98.6	Very high	97.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.7	-45.2	175.7	172.3	0	0	0	0	110.8	F243 M245 A253 F288 K292 P293 Q299 Y300	F243-V296 HydrophobicContact CZ-CG1 3.97Å; M245-V296 HydrophobicContact CG-CG1 4.01Å; M245-V296 HydrophobicContact SD-CB 3.99Å; M245-V296 HydrophobicContact SD-CG1 3.88Å; A253-V296 HydrophobicContact CB-CG2 3.95Å; F288-V296 HydrophobicContact CB-CG1 4.24Å; K292-V296 PolarHBondContact O-N 3.48Å; P293-V296 WeakPolarHBondContact O-CB 3.4Å; P293-V296 PolarHBondContact O-N 3.18Å; V296-Q299 PolarHBondContact O-N 3.07Å; V296-Y300 PolarHBondContact O-N 3.18Å
297	I	98.5	Very high	97.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.2	-44.8	177.7	-64.3	170.5	0	0	0	110.5	M245 P293 L294 Q299 Y300 Y301 M586 T672 F679	M245-I297 HydrophobicContact CE-CD1 4.36Å; M245-I297 HydrophobicContact SD-CG1 4.29Å; P293-I297 WeakPolarHBondContact O-CG1 3.35Å; P293-I297 PolarHBondContact O-N 3.34Å; L294-I297 HydrophobicContact CD2-CD1 4.44Å; I297-Q299 VanDerWaalsContact C-N 3.34Å; I297-Q299 PolarHBondContact O-N 3.18Å; I297-Y300 WeakPolarHBondContact O-CB 2.9Å; I297-Y300 PolarHBondContact O-N 3.31Å; I297-Y301 HydrophobicContact CG2-CD1 3.81Å; I297-Y301 HydrophobicContact CG2-CE1 3.45Å; I297-Y301 VanDerWaalsContact CG2-CE1 3.45Å; I297-Y301 WeakPolarHBondContact O-CD1 3.07Å; I297-Y301 PolarHBondContact O-N 2.99Å; I297-M586 HydrophobicContact CD1-CB 4.34Å; I297-M586 HydrophobicContact CD1-CG 4.04Å; I297-M586 HydrophobicContact CG1-CG 4Å; I297-T672 HydrophobicContact CD1-CG2 3.86Å; I297-T672 HydrophobicContact CG2-CG2 3.97Å; I297-F679 HydrophobicContact CD1-CD2 3.95Å; I297-F679 HydrophobicContact CD1-CE2 4.01Å
298	N	98.2	Very high	97.6	Very high	39 Å²	39	24.1 Å²	24.1	21%	0.209	13%	0.134	C	C	.	.	H	α-helix	trans	-60.6	-42.7	175.5	178.2	67.8	0	0	0	112	L294 D295 Y300 Y301 D302 N669 G670	L294-N298 WeakPolarHBondContact O-CB 3.37Å; L294-N298 PolarHBondContact O-N 3.45Å; D295-N298 PolarHBondContact O-N 3.33Å; N298-Y300 VanDerWaalsContact C-N 3.26Å; N298-Y300 PolarHBondContact O-N 3.37Å; N298-Y301 CarbonylContact O-C 3.47Å; N298-Y301 WeakPolarHBondContact O-CB 3.35Å; N298-Y301 PolarHBondContact O-N 3.44Å; N298-Y301 VanDerWaalsContact O-N 3.09Å; N298-D302 PolarHBondContact ND2-OD2 3.41Å; N298-D302 VanDerWaalsContact ND2-OD2 3.09Å; N298-D302 PolarHBondContact O-N 2.86Å; N298-N669 PolarHBondContact OD1-O 2.78Å; N298-G670 WeakPolarHBondContact OD1-CA 3.12Å; N298-G670 PolarHBondContact OD1-N 3.21Å
299	Q	98.2	Very high	97.6	Very high	13 Å²	13	24.3 Å²	24.3	6%	0.061	14%	0.135	C	C	.	.	H	α-helix	trans	-62.9	-33.6	177.3	-70.4	160	15.6	0	0	112.6	F288 T289 G290 D295 V296 I297 L303	F288-Q299 HydrophobicContact CB-CB 3.99Å; F288-Q299 HydrophobicContact CD1-CB 3.68Å; F288-Q299 WeakPolarHBondContact CD1-O 3.36Å; F288-Q299 WeakPolarHBondContact CE1-O 3.34Å; F288-Q299 HydrophobicContact CG-CB 4.15Å; T289-Q299 VanDerWaalsContact N-OE1 3.12Å; G290-Q299 PolarHBondContact O-NE2 3.39Å; D295-Q299 WeakPolarHBondContact O-CB 3.43Å; D295-Q299 VanDerWaalsContact O-CD 3.28Å; D295-Q299 WeakPolarHBondContact O-CG 3.3Å; D295-Q299 PolarHBondContact O-N 2.81Å; V296-Q299 PolarHBondContact O-N 3.07Å; I297-Q299 VanDerWaalsContact C-N 3.34Å; I297-Q299 PolarHBondContact O-N 3.18Å; Q299-L303 PolarHBondContact O-N 2.76Å
300	Y	98.6	Very high	97.6	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-67.5	-44.6	171.1	175.4	-122	0	0	0	111.5	F243 F257 F288 V296 I297 N298 D302 L303 I304 A554	F243-Y300 HydrophobicContact CB-CE1 4.39Å; F243-Y300 HydrophobicContact CB-CE2 4.41Å; F243-Y300 HydrophobicContact CD1-CD1 4.35Å; F243-Y300 HydrophobicContact CD1-CE1 4.48Å; F243-Y300 HydrophobicContact CD2-CD1 4.14Å; F243-Y300 AromaticContact CD2-CD2 3.65Å; F243-Y300 HydrophobicContact CD2-CD2 3.65Å; F243-Y300 HydrophobicContact CD2-CE1 4.36Å; F243-Y300 AromaticContact CD2-CE2 3.89Å; F243-Y300 HydrophobicContact CD2-CE2 3.89Å; F243-Y300 AromaticContact CD2-CG 3.77Å; F243-Y300 HydrophobicContact CD2-CG 3.77Å; F243-Y300 HydrophobicContact CE1-CD1 4.37Å; F243-Y300 HydrophobicContact CE2-CD1 4.15Å; F243-Y300 AromaticContact CE2-CD2 3.79Å; F243-Y300 HydrophobicContact CE2-CD2 3.79Å; F243-Y300 HydrophobicContact CE2-CE2 4.48Å; F243-Y300 AromaticContact CE2-CG 3.59Å; F243-Y300 HydrophobicContact CE2-CG 3.59Å; F243-Y300 HydrophobicContact CG-CD1 4.21Å; F243-Y300 HydrophobicContact CG-CD2 4.37Å; F243-Y300 HydrophobicContact CG-CE1 4.16Å; F243-Y300 HydrophobicContact CG-CE2 4.31Å; F243-Y300 HydrophobicContact CG-CG 4.32Å; F243-Y300 HydrophobicContact CZ-CD1 4.25Å; F243-Y300 AromaticContact CZ-CG 4Å; F243-Y300 HydrophobicContact CZ-CG 4Å; F257-Y300 HydrophobicContact CB-CD2 4.22Å; F257-Y300 HydrophobicContact CB-CE2 4.03Å; F257-Y300 HydrophobicContact CD1-CE2 4.11Å; F257-Y300 AromaticContact CD2-CE2 3.84Å; F257-Y300 HydrophobicContact CD2-CE2 3.84Å; F257-Y300 HydrophobicContact CE2-CE2 4.35Å; F257-Y300 HydrophobicContact CG-CD2 4.36Å; F257-Y300 AromaticContact CG-CE2 3.74Å; F257-Y300 HydrophobicContact CG-CE2 3.74Å; F288-Y300 AromaticContact CE2-CD2 3.84Å; F288-Y300 HydrophobicContact CE2-CD2 3.84Å; F288-Y300 HydrophobicContact CE2-CG 4.42Å; F288-Y300 AromaticContact CZ-CD2 3.76Å; F288-Y300 HydrophobicContact CZ-CD2 3.76Å; F288-Y300 HydrophobicContact CZ-CG 4.45Å; V296-Y300 PolarHBondContact O-N 3.18Å; I297-Y300 WeakPolarHBondContact O-CB 2.9Å; I297-Y300 PolarHBondContact O-N 3.31Å; N298-Y300 VanDerWaalsContact C-N 3.26Å; N298-Y300 PolarHBondContact O-N 3.37Å; Y300-D302 VanDerWaalsContact C-N 3.34Å; Y300-D302 PolarHBondContact O-N 3Å; Y300-L303 WeakPolarHBondContact O-CA 3.33Å; Y300-L303 WeakPolarHBondContact O-CB 3.44Å; Y300-L303 PolarHBondContact O-N 2.78Å; Y300-I304 HydrophobicContact CD1-CD1 4.08Å; Y300-I304 HydrophobicContact CD1-CG1 4.3Å; Y300-I304 HydrophobicContact CD2-CG1 4.47Å; Y300-I304 HydrophobicContact CD2-CG2 4.09Å; Y300-I304 HydrophobicContact CE1-CD1 3.42Å; Y300-I304 VanDerWaalsContact CE1-CD1 3.42Å; Y300-I304 HydrophobicContact CE1-CG1 4.01Å; Y300-I304 HydrophobicContact CE2-CB 4.45Å; Y300-I304 HydrophobicContact CE2-CD1 4.28Å; Y300-I304 HydrophobicContact CE2-CG1 4.2Å; Y300-I304 HydrophobicContact CE2-CG2 3.44Å; Y300-I304 VanDerWaalsContact CE2-CG2 3.44Å; Y300-I304 WeakPolarHBondContact O-CG1 3.24Å; Y300-I304 PolarHBondContact O-N 3.29Å; Y300-A554 WeakPolarHBondContact OH-CB 3.37Å
301	Y	98	Very high	97.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.7	-41	175.7	-81.1	40.1	0	0	0	111.8	I297 N298 L303 I304 G305 H306 P307 N585 G588	I297-Y301 HydrophobicContact CG2-CD1 3.81Å; I297-Y301 HydrophobicContact CG2-CE1 3.45Å; I297-Y301 VanDerWaalsContact CG2-CE1 3.45Å; I297-Y301 WeakPolarHBondContact O-CD1 3.07Å; I297-Y301 PolarHBondContact O-N 2.99Å; N298-Y301 CarbonylContact O-C 3.47Å; N298-Y301 WeakPolarHBondContact O-CB 3.35Å; N298-Y301 PolarHBondContact O-N 3.44Å; N298-Y301 VanDerWaalsContact O-N 3.09Å; Y301-L303 PolarHBondContact O-N 2.87Å; Y301-I304 PolarHBondContact O-N 3.36Å; Y301-G305 CarbonylContact O-C 3.59Å; Y301-G305 VanDerWaalsContact O-C 3.31Å; Y301-G305 VanDerWaalsContact O-CA 3.29Å; Y301-G305 WeakPolarHBondContact O-CA 3.29Å; Y301-G305 PolarHBondContact O-N 2.77Å; Y301-H306 VanDerWaalsContact C-CD2 3.42Å; Y301-H306 PolarHBondContact O-CD2 2.82Å; Y301-P307 VanDerWaalsContact CD2-CD 3.48Å; Y301-P307 HydrophobicContact CD2-CG 4.32Å; Y301-P307 VanDerWaalsContact CE2-CD 3.41Å; Y301-P307 HydrophobicContact CE2-CG 3.75Å; Y301-N585 PolarHBondContact OH-O 3.18Å; Y301-G588 VanDerWaalsContact OH-CA 3.26Å; Y301-G588 WeakPolarHBondContact OH-CA 3.42Å; Y301-G588 PolarHBondContact OH-N 2.83Å
302	D	97.8	Very high	97.9	Very high	74 Å²	74	22.5 Å²	22.5	40%	0.396	12%	0.123	S	C	.	.	H	α-helix	trans	-57.3	-23.8	174	-77.2	-42.9	0	0	0	111.9	R117 G138 N298 Y300 H306	R117-D302 PolarHBondContact NH1-O 3.3Å; G138-D302 WeakPolarHBondContact CA-O 3.4Å; N298-D302 PolarHBondContact ND2-OD2 3.41Å; N298-D302 VanDerWaalsContact ND2-OD2 3.09Å; N298-D302 PolarHBondContact O-N 2.86Å; Y300-D302 VanDerWaalsContact C-N 3.34Å; Y300-D302 PolarHBondContact O-N 3Å; D302-H306 PolarHBondContact N-NE2 2.76Å; D302-H306 IonicContact OD1-CE1 3.43Å; D302-H306 IonicContact OD1-NE2 3.62Å; D302-H306 PolarHBondContact OD1-NE2 2.03Å
303	L	98.2	Very high	97.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-88.2	-50.6	173.9	179.2	70.3	0	0	0	112.6	L137 G138 F257 F286 F288 Q299 Y300 Y301	L137-L303 CarbonylContact C-O 3.5Å; L137-L303 HydrophobicContact CB-CD1 4.1Å; L137-L303 HydrophobicContact CD2-CD1 4.12Å; L137-L303 HydrophobicContact CD2-CG 4.23Å; G138-L303 PolarHBondContact N-O 3.19Å; F257-L303 HydrophobicContact CD1-CD2 3.71Å; F257-L303 HydrophobicContact CE1-CD2 4.24Å; F286-L303 HydrophobicContact CB-CD2 3.91Å; F286-L303 HydrophobicContact CD1-CD1 3.79Å; F286-L303 HydrophobicContact CD1-CD2 3.43Å; F286-L303 VanDerWaalsContact CD1-CD2 3.43Å; F286-L303 HydrophobicContact CD1-CG 4.26Å; F286-L303 HydrophobicContact CD2-CD2 3.73Å; F286-L303 HydrophobicContact CE1-CD1 3.47Å; F286-L303 VanDerWaalsContact CE1-CD1 3.47Å; F286-L303 HydrophobicContact CE1-CD2 3.78Å; F286-L303 HydrophobicContact CE1-CG 4.28Å; F286-L303 HydrophobicContact CE2-CD2 4.09Å; F286-L303 HydrophobicContact CG-CD2 3.4Å; F286-L303 HydrophobicContact CZ-CD1 4.06Å; F286-L303 HydrophobicContact CZ-CD2 4.1Å; F288-L303 HydrophobicContact CE1-CB 4.16Å; F288-L303 HydrophobicContact CE1-CD2 4.19Å; F288-L303 HydrophobicContact CZ-CB 4.31Å; F288-L303 HydrophobicContact CZ-CD2 3.72Å; Q299-L303 PolarHBondContact O-N 2.76Å; Y300-L303 WeakPolarHBondContact O-CA 3.33Å; Y300-L303 WeakPolarHBondContact O-CB 3.44Å; Y300-L303 PolarHBondContact O-N 2.78Å; Y301-L303 PolarHBondContact O-N 2.87Å
304	I	97.8	Very high	97.9	Very high	3 Å²	3	18 Å²	18	2%	0.015	10%	0.103	C	C	.	.	H	α-helix	trans	-89.5	-6.7	-171.9	61.4	150.7	0	0	0	114.1	F257 Y300 Y301 A554 L558	F257-I304 HydrophobicContact CE1-CG2 4.37Å; Y300-I304 HydrophobicContact CD1-CD1 4.08Å; Y300-I304 HydrophobicContact CD1-CG1 4.3Å; Y300-I304 HydrophobicContact CD2-CG1 4.47Å; Y300-I304 HydrophobicContact CD2-CG2 4.09Å; Y300-I304 HydrophobicContact CE1-CD1 3.42Å; Y300-I304 VanDerWaalsContact CE1-CD1 3.42Å; Y300-I304 HydrophobicContact CE1-CG1 4.01Å; Y300-I304 HydrophobicContact CE2-CB 4.45Å; Y300-I304 HydrophobicContact CE2-CD1 4.28Å; Y300-I304 HydrophobicContact CE2-CG1 4.2Å; Y300-I304 HydrophobicContact CE2-CG2 3.44Å; Y300-I304 VanDerWaalsContact CE2-CG2 3.44Å; Y300-I304 WeakPolarHBondContact O-CG1 3.24Å; Y300-I304 PolarHBondContact O-N 3.29Å; Y301-I304 PolarHBondContact O-N 3.36Å; I304-A554 HydrophobicContact CG2-CB 4.27Å; I304-L558 WeakPolarHBondContact O-CD1 3.42Å
305	G	97.2	Very high	98	Very high	23 Å²	23	16.5 Å²	16.5	24%	0.237	10%	0.095	C	C	.	.			trans	96.9	142.2	-175	0	0	0	0	0	112.9	Y301	Y301-G305 CarbonylContact O-C 3.59Å; Y301-G305 VanDerWaalsContact O-C 3.31Å; Y301-G305 VanDerWaalsContact O-CA 3.29Å; Y301-G305 WeakPolarHBondContact O-CA 3.29Å; Y301-G305 PolarHBondContact O-N 2.77Å
306	H	97.3	Very high	98	Very high	38 Å²	38	13.6 Å²	13.6	18%	0.176	8%	0.079	C	C	.	.	P	Polyproline II helix	trans	-81.4	132.3	179.3	-67.7	-160.5	0	0	0	109.8	Y301 D302 L558 Y667 L668	Y301-H306 VanDerWaalsContact C-CD2 3.42Å; Y301-H306 PolarHBondContact O-CD2 2.82Å; D302-H306 PolarHBondContact N-NE2 2.76Å; D302-H306 IonicContact OD1-CE1 3.43Å; D302-H306 IonicContact OD1-NE2 3.62Å; D302-H306 PolarHBondContact OD1-NE2 2.03Å; H306-L558 WeakPolarHBondContact O-CD2 3.32Å; H306-Y667 VanDerWaalsContact CB-O 3.25Å; H306-Y667 WeakPolarHBondContact CB-O 3.29Å; H306-Y667 PolarHBondContact ND1-O 2.87Å; H306-L668 PolarHBondContact ND1-O 3.46Å
307	P	97	Very high	98	Very high	4 Å²	4	13.6 Å²	13.6	3%	0.026	8%	0.079	C	C	.	.	P	Polyproline II helix	trans	-62	136.4	-179.8	25.3	-33	0	0	0	110.5	Y301 P590 S666 Y667	Y301-P307 VanDerWaalsContact CD2-CD 3.48Å; Y301-P307 HydrophobicContact CD2-CG 4.32Å; Y301-P307 VanDerWaalsContact CE2-CD 3.41Å; Y301-P307 HydrophobicContact CE2-CG 3.75Å; P307-P590 HydrophobicContact CB-CG 3.91Å; P307-P590 HydrophobicContact CG-CG 3.58Å; P307-S666 WeakPolarHBondContact CG-OG 3.41Å; P307-Y667 WeakPolarHBondContact O-CA 3.3Å; P307-Y667 WeakPolarHBondContact O-CB 3.31Å
308	P	96.2	Very high	98	Very high	56 Å²	56	13.6 Å²	13.6	36%	0.364	8%	0.079	S	C	.	.	P	Polyproline II helix	trans	-67.7	163.4	177.2	31.4	-34.8	0	0	0	110.7	G557	P308-G557 WeakPolarHBondContact CD-O 3.38Å
309	I	97.7	Very high	98.1	Very high	4 Å²	4	12 Å²	12	2%	0.021	7%	0.071	C	C	.	.	P	Polyproline II helix	trans	-73	123.1	173.5	-52.3	178.6	0	0	0	107.7	R544 Y660 F663 Y664 Y667 F801 L810	I309-R544 WeakPolarHBondContact O-CD 3.35Å; I309-Y660 HydrophobicContact CG2-CD2 4.03Å; I309-Y660 HydrophobicContact CG2-CE2 3.41Å; I309-Y660 VanDerWaalsContact CG2-CE2 3.41Å; I309-F663 HydrophobicContact CG2-CB 4.41Å; I309-Y664 HydrophobicContact CD1-CD2 3.82Å; I309-Y664 HydrophobicContact CD1-CG 4.47Å; I309-Y667 HydrophobicContact CD1-CD1 4.23Å; I309-Y667 HydrophobicContact CD1-CG 4.47Å; I309-Y667 HydrophobicContact CG1-CD1 4.28Å; I309-Y667 HydrophobicContact CG1-CG 4.02Å; I309-F801 HydrophobicContact CD1-CD1 4.4Å; I309-F801 HydrophobicContact CD1-CE1 3.68Å; I309-F801 HydrophobicContact CD1-CE2 3.83Å; I309-F801 HydrophobicContact CD1-CZ 3.36Å; I309-F801 HydrophobicContact CG2-CE1 4.11Å; I309-L810 HydrophobicContact CD1-CD2 3.9Å
310	P	97.9	Very high	98.1	Very high	15 Å²	15	11.9 Å²	11.9	10%	0.097	7%	0.071	C	C	.	.	P	Polyproline II helix	trans	-65.9	164.2	178.9	29	-35.1	0	0	0	110.8	L315 R544 M591 Y660 F663	P310-L315 HydrophobicContact CG-CD2 3.91Å; P310-R544 PolarHBondContact O-NH1 3.49Å; P310-R544 VanDerWaalsContact O-NH1 3.11Å; P310-M591 HydrophobicContact CB-SD 4.39Å; P310-M591 HydrophobicContact CG-SD 4.22Å; P310-Y660 WeakPolarHBondContact O-CE2 3.32Å; P310-F663 HydrophobicContact CG-CB 4.43Å; P310-F663 HydrophobicContact CG-CD1 3.77Å; P310-F663 HydrophobicContact CG-CD2 4.11Å; P310-F663 HydrophobicContact CG-CE1 3.98Å; P310-F663 HydrophobicContact CG-CE2 4.31Å; P310-F663 HydrophobicContact CG-CG 3.84Å; P310-F663 HydrophobicContact CG-CZ 4.24Å
311	P	98.3	Very high	98	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.006	8%	0.075	C	C	.	.	P	Polyproline II helix	trans	-63.4	140	166.5	26.7	-31.1	0	0	0	110.2	W313 S314 R544 F546 G805	P311-W313 HydrophobicContact CB-CG 4.47Å; P311-W313 HydrophobicContact CG-CZ2 4.21Å; P311-W313 PolarHBondContact O-N 3.46Å; P311-S314 PolarHBondContact O-N 2.9Å; P311-S314 PolarHBondContact O-OG 2.93Å; P311-R544 HydrophobicContact CB-CB 4.3Å; P311-R544 HydrophobicContact CG-CB 4.48Å; P311-F546 HydrophobicContact CG-CB 4.05Å; P311-F546 HydrophobicContact CG-CD2 4.46Å; P311-G805 CarbonylContact C-O 3.6Å; P311-G805 WeakPolarHBondContact CA-O 3.36Å
312	Y	98.5	Very high	98	Very high	1 Å²	1	14.7 Å²	14.7	0%	0.004	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-58.9	-36.1	-174.2	-166.8	-90.4	0	0	0	112.8	S314 L315 L656 P657 Y660 Q760 T766 R770 W802 G805	Y312-S314 PolarHBondContact O-N 3.25Å; Y312-L315 WeakPolarHBondContact O-CB 2.97Å; Y312-L315 PolarHBondContact O-N 3.48Å; Y312-L315 VanDerWaalsContact O-N 3.14Å; Y312-L656 HydrophobicContact CE1-CB 4.29Å; Y312-L656 HydrophobicContact CE1-CD1 4.36Å; Y312-L656 HydrophobicContact CE2-CB 4.49Å; Y312-L656 WeakPolarHBondContact OH-CB 3.23Å; Y312-P657 WeakPolarHBondContact OH-CD 3.22Å; Y312-Y660 AromaticContact CD2-CD1 3.49Å; Y312-Y660 HydrophobicContact CD2-CD1 3.49Å; Y312-Y660 VanDerWaalsContact CD2-CD1 3.49Å; Y312-Y660 AromaticContact CD2-CD2 3.69Å; Y312-Y660 HydrophobicContact CD2-CD2 3.69Å; Y312-Y660 AromaticContact CD2-CE1 3.71Å; Y312-Y660 HydrophobicContact CD2-CE1 3.71Å; Y312-Y660 AromaticContact CD2-CE2 3.89Å; Y312-Y660 HydrophobicContact CD2-CE2 3.89Å; Y312-Y660 AromaticContact CD2-CG 3.46Å; Y312-Y660 HydrophobicContact CD2-CG 3.46Å; Y312-Y660 VanDerWaalsContact CD2-CG 3.46Å; Y312-Y660 AromaticContact CD2-CZ 3.89Å; Y312-Y660 AromaticContact CE2-CD1 3.75Å; Y312-Y660 HydrophobicContact CE2-CD1 3.75Å; Y312-Y660 HydrophobicContact CE2-CD2 4.32Å; Y312-Y660 HydrophobicContact CE2-CE1 4.37Å; Y312-Y660 AromaticContact CE2-CG 3.7Å; Y312-Y660 HydrophobicContact CE2-CG 3.7Å; Y312-Q760 PolarHBondContact OH-OE1 3Å; Y312-T766 HydrophobicContact CD1-CG2 3.83Å; Y312-T766 HydrophobicContact CE1-CG2 3.82Å; Y312-R770 HydrophobicContact CD1-CG 4.04Å; Y312-R770 HydrophobicContact CE1-CG 3.83Å; Y312-W802 HydrophobicContact CD2-CH2 4.27Å; Y312-W802 HydrophobicContact CD2-CZ3 4.28Å; Y312-W802 HydrophobicContact CE1-CH2 4.21Å; Y312-W802 AromaticContact CE2-CH2 3.57Å; Y312-W802 HydrophobicContact CE2-CH2 3.57Å; Y312-W802 AromaticContact CE2-CZ3 3.48Å; Y312-W802 HydrophobicContact CE2-CZ3 3.48Å; Y312-W802 VanDerWaalsContact CE2-CZ3 3.48Å; Y312-W802 AromaticContact CZ-CH2 3.52Å; Y312-W802 AromaticContact CZ-CZ3 3.84Å; Y312-G805 WeakPolarHBondContact CB-O 3.27Å; Y312-G805 PolarHBondContact N-O 2.77Å
313	W	98.3	Very high	98	Very high	14 Å²	14	11.6 Å²	11.6	5%	0.053	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-62.8	-29.6	178.4	69.5	-100.7	0	0	0	112.4	P311 L315 G316 H318 D345 A346 R385 V387 D461 F546 T766	P311-W313 HydrophobicContact CB-CG 4.47Å; P311-W313 HydrophobicContact CG-CZ2 4.21Å; P311-W313 PolarHBondContact O-N 3.46Å; W313-L315 PolarHBondContact O-N 2.75Å; W313-G316 PolarHBondContact O-N 3.27Å; W313-H318 AromaticContact CZ3-CE1 3.84Å; W313-D345 WeakPolarHBondContact O-CB 3.36Å; W313-A346 HydrophobicContact CZ3-CB 4.12Å; W313-R385 HydrophobicContact CB-CG 4.32Å; W313-R385 HydrophobicContact CD2-CB 4.33Å; W313-R385 HydrophobicContact CD2-CG 3.71Å; W313-R385 HydrophobicContact CE3-CB 3.91Å; W313-R385 HydrophobicContact CE3-CG 3.7Å; W313-R385 HydrophobicContact CG-CG 3.98Å; W313-R385 HydrophobicContact CZ3-CB 4.02Å; W313-R385 HydrophobicContact CZ3-CG 4.3Å; W313-V387 HydrophobicContact CH2-CG2 3.94Å; W313-V387 HydrophobicContact CZ3-CG2 4.2Å; W313-D461 HydrophobicContact CH2-CB 4.49Å; W313-D461 HydrophobicContact CZ2-CB 4.21Å; W313-F546 HydrophobicContact CH2-CB 3.74Å; W313-F546 AromaticContact CH2-CD1 3.51Å; W313-F546 HydrophobicContact CH2-CD1 3.51Å; W313-F546 HydrophobicContact CH2-CD2 4.44Å; W313-F546 HydrophobicContact CH2-CE1 4.24Å; W313-F546 AromaticContact CH2-CG 3.61Å; W313-F546 HydrophobicContact CH2-CG 3.61Å; W313-F546 HydrophobicContact CZ2-CB 3.52Å; W313-F546 HydrophobicContact CZ2-CD1 4.22Å; W313-F546 AromaticContact CZ2-CG 3.91Å; W313-F546 HydrophobicContact CZ2-CG 3.91Å; W313-F546 HydrophobicContact CZ3-CD1 4.29Å; W313-F546 HydrophobicContact CZ3-CG 4.48Å; W313-T766 WeakPolarHBondContact CA-OG1 3.3Å
314	S	98.6	Very high	97.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-74	-7.7	180	71.8	0	0	0	0	113.1	P311 Y312 G316 H318 M591	P311-S314 PolarHBondContact O-N 2.9Å; P311-S314 PolarHBondContact O-OG 2.93Å; Y312-S314 PolarHBondContact O-N 3.25Å; S314-G316 VanDerWaalsContact C-N 3.34Å; S314-H318 PolarHBondContact O-NE2 3.23Å; S314-M591 WeakPolarHBondContact O-CE 3.24Å
315	L	98.8	Very high	97.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-83.8	-11.8	170.4	-53.6	-177.7	0	0	0	112.4	P310 Y312 W313 M591 R652 L656 I659 Y660 F663	P310-L315 HydrophobicContact CG-CD2 3.91Å; Y312-L315 WeakPolarHBondContact O-CB 2.97Å; Y312-L315 PolarHBondContact O-N 3.48Å; Y312-L315 VanDerWaalsContact O-N 3.14Å; W313-L315 PolarHBondContact O-N 2.75Å; L315-M591 HydrophobicContact CD2-CE 3.95Å; L315-M591 HydrophobicContact CD2-SD 3.82Å; L315-R652 PolarHBondContact O-NE 3.32Å; L315-R652 PolarHBondContact O-NH2 2.95Å; L315-L656 HydrophobicContact CB-CD2 3.66Å; L315-L656 WeakPolarHBondContact O-CD2 3.46Å; L315-I659 HydrophobicContact CD1-CG2 4.22Å; L315-I659 HydrophobicContact CD2-CG2 4.43Å; L315-Y660 HydrophobicContact CD1-CD2 3.71Å; L315-Y660 HydrophobicContact CD1-CG 4.2Å; L315-F663 HydrophobicContact CD2-CD2 3.99Å; L315-F663 HydrophobicContact CD2-CE2 3.56Å; L315-F663 HydrophobicContact CD2-CZ 4.26Å
316	G	98.7	Very high	97.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-65.2	-168.9	176.2	0	0	0	0	0	112.5	W313 S314 H318 Y653	W313-G316 PolarHBondContact O-N 3.27Å; S314-G316 VanDerWaalsContact C-N 3.34Å; G316-H318 PolarHBondContact O-CD2 3.1Å; G316-H318 PolarHBondContact O-NE2 3.34Å; G316-Y653 WeakPolarHBondContact CA-OH 3.35Å
317	F	98.9	Very high	97.9	Very high	1 Å²	1	18.8 Å²	18.8	0%	0.004	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	140.1	174.2	179.9	-112.2	0	0	0	110.8	I319 I342 P343 I344 D345 A346 I596 N623 P634 L649 Y653	F317-I319 HydrophobicContact CD1-CG2 4.13Å; F317-I319 HydrophobicContact CE1-CG2 3.53Å; F317-I319 HydrophobicContact CZ-CG2 4.26Å; F317-I342 HydrophobicContact CD1-CG2 4.31Å; F317-I342 HydrophobicContact CE1-CG2 4.33Å; F317-P343 WeakPolarHBondContact CB-O 3.4Å; F317-P343 WeakPolarHBondContact CD1-O 3.49Å; F317-I344 HydrophobicContact CD1-CG1 4.2Å; F317-D345 PolarHBondContact O-N 3.06Å; F317-A346 PolarHBondContact O-N 2.84Å; F317-I596 HydrophobicContact CE2-CD1 4.05Å; F317-N623 HydrophobicContact CE2-CB 4.07Å; F317-N623 HydrophobicContact CZ-CB 3.62Å; F317-P634 HydrophobicContact CE1-CG 3.89Å; F317-P634 HydrophobicContact CZ-CG 4.01Å; F317-L649 HydrophobicContact CB-CD2 4.06Å; F317-L649 HydrophobicContact CD1-CD1 3.76Å; F317-L649 HydrophobicContact CD1-CD2 4.46Å; F317-L649 HydrophobicContact CD2-CD1 4.22Å; F317-L649 HydrophobicContact CD2-CD2 3.52Å; F317-L649 HydrophobicContact CE1-CD1 3.92Å; F317-L649 HydrophobicContact CE2-CD1 4.36Å; F317-L649 HydrophobicContact CE2-CD2 4.02Å; F317-L649 HydrophobicContact CG-CD1 3.91Å; F317-L649 HydrophobicContact CG-CD2 3.76Å; F317-L649 HydrophobicContact CG-CG 4.47Å; F317-L649 HydrophobicContact CZ-CD1 4.21Å; F317-Y653 HydrophobicContact CB-CE2 4.16Å; F317-Y653 PolarHBondContact N-OH 2.99Å
318	H	98.9	Very high	98	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135	-173.4	-63.3	-120.7	0	0	0	109.6	W313 S314 G316 A346 W348 F620 S621 R622 N623	W313-H318 AromaticContact CZ3-CE1 3.84Å; S314-H318 PolarHBondContact O-NE2 3.23Å; G316-H318 PolarHBondContact O-CD2 3.1Å; G316-H318 PolarHBondContact O-NE2 3.34Å; H318-A346 WeakPolarHBondContact CA-O 3.39Å; H318-A346 WeakPolarHBondContact ND1-CB 3.42Å; H318-W348 HydrophobicContact CB-CZ2 4.42Å; H318-W348 AromaticContact CG-NE1 3.51Å; H318-W348 AromaticContact ND1-CE2 3.4Å; H318-W348 AromaticContact ND1-CZ2 3.29Å; H318-W348 VanDerWaalsContact ND1-CZ2 3.29Å; H318-W348 WeakPolarHBondContact ND1-CZ2 3.49Å; H318-W348 AromaticContact ND1-NE1 2.97Å; H318-W348 PolarHBondContact ND1-NE1 3.42Å; H318-F620 AromaticContact ND1-CE2 3.98Å; H318-S621 PolarHBondContact CD2-O 2.86Å; H318-S621 PolarHBondContact N-O 2.92Å; H318-R622 HydrophobicContact CB-CB 3.9Å; H318-R622 HydrophobicContact CB-CG 3.89Å; H318-R622 WeakPolarHBondContact O-CA 3.45Å; H318-N623 PolarHBondContact O-N 3.47Å
319	I	98.6	Very high	98.1	Very high	5 Å²	5	22.2 Å²	22.2	3%	0.026	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.4	173.6	59.3	165.1	0	0	0	110.6	F317 V333 L334 I344 A346 Q347 W348	F317-I319 HydrophobicContact CD1-CG2 4.13Å; F317-I319 HydrophobicContact CE1-CG2 3.53Å; F317-I319 HydrophobicContact CZ-CG2 4.26Å; I319-V333 HydrophobicContact CD1-CG1 4.44Å; I319-L334 HydrophobicContact CD1-CB 4.46Å; I319-L334 HydrophobicContact CD1-CD1 3.98Å; I319-I344 HydrophobicContact CD1-CD1 4.03Å; I319-I344 HydrophobicContact CD1-CG2 4.4Å; I319-I344 HydrophobicContact CG1-CG2 4.05Å; I319-I344 HydrophobicContact CG2-CD1 4.2Å; I319-I344 HydrophobicContact CG2-CG1 4.34Å; I319-A346 PolarHBondContact N-O 3.42Å; I319-Q347 HydrophobicContact CD1-CB 4.48Å; I319-Q347 HydrophobicContact CD1-CG 4.3Å; I319-Q347 HydrophobicContact CG1-CB 4.23Å; I319-Q347 HydrophobicContact CG1-CG 4.25Å; I319-W348 PolarHBondContact O-N 2.7Å
320	C	98.6	Very high	98.1	Very high	10 Å²	10	22.1 Å²	22.1	7%	0.068	11%	0.109	C	C	.	.			trans	-147.5	162.7	179.9	-165.1	0	0	0	0	110.1	W348 R622 N623 H624	C320-W348 HydrophobicContact CB-CB 3.6Å; C320-W348 HydrophobicContact CB-CG 4.05Å; C320-W348 WeakPolarHBondContact SG-CB 3.46Å; C320-R622 HydrophobicContact CB-CG 4.33Å; C320-N623 PolarHBondContact N-O 3.34Å; C320-H624 HydrophobicContact CB-CB 3.98Å; C320-H624 WeakPolarHBondContact CB-ND1 3.07Å; C320-H624 WeakPolarHBondContact O-CA 3.32Å; C320-H624 PolarHBondContact SG-ND1 3.03Å
321	R	97.5	Very high	98.1	Very high	21 Å²	21	25 Å²	25	8%	0.079	12%	0.12	C	C	.	.			trans	-166.7	141.2	166.4	159.5	175.2	-100.7	166.8	-11.9	109.1	M324 D350 H624 N625 A629 M630 D631	R321-M324 HydrophobicContact CB-CE 3.8Å; R321-M324 HydrophobicContact CG-CE 4.24Å; R321-M324 HydrophobicContact CG-CG 4.49Å; R321-D350 WeakPolarHBondContact O-CB 3.38Å; R321-H624 WeakPolarHBondContact CA-ND1 3.36Å; R321-H624 PolarHBondContact N-ND1 3.45Å; R321-N625 HydrophobicContact CB-CB 4.4Å; R321-N625 HydrophobicContact CG-CB 4.42Å; R321-N625 PolarHBondContact NH2-ND2 3.23Å; R321-A629 PolarHBondContact NH2-O 3.4Å; R321-M630 PolarHBondContact NH2-O 2.89Å; R321-D631 IonicContact CZ-OD1 2.71Å; R321-D631 IonicContact NH1-OD1 3.79Å; R321-D631 PolarHBondContact NH1-OD1 2.97Å; R321-D631 IonicContact NH1-OD2 3.51Å; R321-D631 IonicContact NH2-OD1 3.43Å
322	Y	98.2	Very high	98.1	Very high	38 Å²	38	31 Å²	31	15%	0.149	15%	0.148	C	C	.	.	S	Bend	trans	-81.6	137.6	159.1	174.5	-142.6	0	0	0	110.3	D350 I351 H624 N625 E626 D627	Y322-D350 WeakPolarHBondContact CB-OD2 3.18Å; Y322-D350 HydrophobicContact CD2-CB 4.45Å; Y322-I351 HydrophobicContact CD2-CD1 4.4Å; Y322-I351 HydrophobicContact CD2-CG1 3.98Å; Y322-I351 HydrophobicContact CE2-CD1 3.82Å; Y322-I351 HydrophobicContact CE2-CG1 3.73Å; Y322-H624 PolarHBondContact N-CE1 3.23Å; Y322-N625 PolarHBondContact N-O 3Å; Y322-E626 CarbonylContact O-C 3.47Å; Y322-E626 VanDerWaalsContact O-C 3.29Å; Y322-D627 HydrophobicContact CD1-CB 3.66Å; Y322-D627 HydrophobicContact CD2-CB 4.48Å; Y322-D627 HydrophobicContact CE1-CB 3.57Å; Y322-D627 HydrophobicContact CE2-CB 4.39Å; Y322-D627 HydrophobicContact CG-CB 4.1Å; Y322-D627 WeakPolarHBondContact O-CA 3.49Å; Y322-D627 PolarHBondContact O-N 3.29Å
323	G	96.2	Very high	98.1	Very high	10 Å²	10	31.3 Å²	31.3	10%	0.103	15%	0.15	C	C	.	.			trans	103.2	16.8	178	0	0	0	0	0	114.7	K325 D352 D627	G323-K325 PolarHBondContact O-N 3.45Å; G323-D352 PolarHBondContact N-OD1 2.7Å; G323-D352 PolarHBondContact N-OD2 3Å; G323-D627 WeakPolarHBondContact CA-OD1 3.14Å
324	M	96.6	Very high	98.1	Very high	16 Å²	16	30.7 Å²	30.7	8%	0.079	15%	0.148	C	C	.	.			trans	-66.6	117.4	174.1	-72.6	-79	177.1	0	0	109.7	R321 N326 E329 A330 V333 D352 F367	R321-M324 HydrophobicContact CB-CE 3.8Å; R321-M324 HydrophobicContact CG-CE 4.24Å; R321-M324 HydrophobicContact CG-CG 4.49Å; M324-N326 VanDerWaalsContact C-N 3.3Å; M324-N326 PolarHBondContact O-N 3.33Å; M324-E329 HydrophobicContact SD-CB 4.4Å; M324-E329 HydrophobicContact SD-CG 3.99Å; M324-A330 HydrophobicContact SD-CB 4.45Å; M324-V333 HydrophobicContact CE-CB 4.3Å; M324-V333 HydrophobicContact CE-CG1 4.37Å; M324-V333 HydrophobicContact CE-CG2 3.79Å; M324-V333 HydrophobicContact SD-CG2 4.33Å; M324-D352 HydrophobicContact CB-CB 4.46Å; M324-D352 PolarHBondContact N-OD2 2.83Å; M324-D352 WeakPolarHBondContact O-CB 3.25Å; M324-F367 HydrophobicContact CB-CZ 4.15Å; M324-F367 WeakPolarHBondContact O-CZ 3.3Å
325	K	96.4	Very high	98.1	Very high	136 Å²	136	35.5 Å²	35.5	59%	0.591	17%	0.169	S	C	*	.			trans	-63.9	-36.4	-174.2	-63.6	163.8	-167.8	131	0	111.9	G323 E329 R366	G323-K325 PolarHBondContact O-N 3.45Å; K325-E329 WeakPolarHBondContact CA-OE2 3.49Å; K325-E329 WeakPolarHBondContact CB-OE2 3.29Å; K325-E329 WeakPolarHBondContact CD-OE2 3.27Å; K325-E329 VanDerWaalsContact CG-OE2 3.23Å; K325-E329 WeakPolarHBondContact CG-OE2 3.42Å; K325-E329 PolarHBondContact N-OE2 3.24Å; K325-E329 IonicContact NZ-OE1 2.79Å; K325-E329 PolarHBondContact NZ-OE1 2.81Å; K325-R366 VanDerWaalsContact O-CD 3.31Å; K325-R366 WeakPolarHBondContact O-CD 2.92Å
326	N	98.2	Very high	98.1	Very high	58 Å²	58	38.1 Å²	38.1	31%	0.31	18%	0.179	S	C	.	.	S	Bend	trans	-166.8	176.2	-179.2	56	61.9	0	0	0	111.3	M324 D328 E329 A330 R366	M324-N326 VanDerWaalsContact C-N 3.3Å; M324-N326 PolarHBondContact O-N 3.33Å; N326-D328 VanDerWaalsContact C-N 3.25Å; N326-D328 PolarHBondContact O-N 3.04Å; N326-D328 WeakPolarHBondContact OD1-CA 3.39Å; N326-D328 WeakPolarHBondContact OD1-CB 3.4Å; N326-D328 PolarHBondContact OD1-N 3.14Å; N326-E329 PolarHBondContact O-N 3.02Å; N326-E329 PolarHBondContact OD1-N 3.09Å; N326-E329 VanDerWaalsContact OD1-N 3.1Å; N326-A330 PolarHBondContact O-N 3.19Å; N326-R366 VanDerWaalsContact CA-O 3.3Å; N326-R366 WeakPolarHBondContact CA-O 3.14Å; N326-R366 HydrophobicContact CB-CB 4.26Å; N326-R366 WeakPolarHBondContact CB-O 3.17Å
327	L	98.4	Very high	98.1	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-25.5	179.2	-176.4	64.2	0	0	0	114	A330 K331 F349 R366 F367 G368 I370 Y373	L327-A330 PolarHBondContact O-N 3.2Å; L327-K331 WeakPolarHBondContact O-CG 3Å; L327-K331 PolarHBondContact O-N 2.8Å; L327-F349 HydrophobicContact CD1-CE1 4.18Å; L327-F349 HydrophobicContact CD1-CZ 4.33Å; L327-R366 PolarHBondContact N-O 3.26Å; L327-F367 HydrophobicContact CB-CD1 4.1Å; L327-F367 HydrophobicContact CD1-CD1 4.47Å; L327-G368 WeakPolarHBondContact CD2-O 3.35Å; L327-I370 HydrophobicContact CD1-CB 4.21Å; L327-I370 HydrophobicContact CD1-CG1 4.11Å; L327-I370 HydrophobicContact CD2-CB 4.25Å; L327-Y373 HydrophobicContact CD1-CD1 3.69Å; L327-Y373 HydrophobicContact CD1-CE1 4.31Å; L327-Y373 HydrophobicContact CD1-CG 4.05Å
328	D	98.5	Very high	98.1	Very high	102 Å²	102	40 Å²	40	55%	0.545	19%	0.19	S	C	.	.	H	α-helix	trans	-73.9	-36.5	179.6	-68.8	-25.3	0	0	0	112	N326 K331 E332	N326-D328 VanDerWaalsContact C-N 3.25Å; N326-D328 PolarHBondContact O-N 3.04Å; N326-D328 WeakPolarHBondContact OD1-CA 3.39Å; N326-D328 WeakPolarHBondContact OD1-CB 3.4Å; N326-D328 PolarHBondContact OD1-N 3.14Å; D328-K331 WeakPolarHBondContact O-CB 3.41Å; D328-K331 PolarHBondContact O-N 3.26Å; D328-K331 IonicContact OD1-NZ 2.64Å; D328-K331 PolarHBondContact OD1-NZ 3.26Å; D328-E332 PolarHBondContact O-N 2.9Å
329	E	97.8	Very high	98	Very high	31 Å²	31	45 Å²	45	15%	0.145	22%	0.217	C	C	.	.	H	α-helix	trans	-62.1	-43.4	170.7	-169.6	169.4	-138.9	0	0	110.9	M324 K325 N326 K331 E332 V333	M324-E329 HydrophobicContact SD-CB 4.4Å; M324-E329 HydrophobicContact SD-CG 3.99Å; K325-E329 WeakPolarHBondContact CA-OE2 3.49Å; K325-E329 WeakPolarHBondContact CB-OE2 3.29Å; K325-E329 WeakPolarHBondContact CD-OE2 3.27Å; K325-E329 VanDerWaalsContact CG-OE2 3.23Å; K325-E329 WeakPolarHBondContact CG-OE2 3.42Å; K325-E329 PolarHBondContact N-OE2 3.24Å; K325-E329 IonicContact NZ-OE1 2.79Å; K325-E329 PolarHBondContact NZ-OE1 2.81Å; N326-E329 PolarHBondContact O-N 3.02Å; N326-E329 PolarHBondContact OD1-N 3.09Å; N326-E329 VanDerWaalsContact OD1-N 3.1Å; E329-K331 VanDerWaalsContact C-N 3.32Å; E329-K331 PolarHBondContact O-N 2.74Å; E329-E332 PolarHBondContact O-N 3.41Å; E329-E332 VanDerWaalsContact O-N 3.12Å; E329-V333 VanDerWaalsContact O-CG2 3.26Å; E329-V333 WeakPolarHBondContact O-CG2 3.43Å; E329-V333 PolarHBondContact O-N 3.42Å
330	A	98.1	Very high	98	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-39.2	174.9	0	0	0	0	0	112.8	M324 N326 L327 L334 Q347 F349	M324-A330 HydrophobicContact SD-CB 4.45Å; N326-A330 PolarHBondContact O-N 3.19Å; L327-A330 PolarHBondContact O-N 3.2Å; A330-L334 PolarHBondContact O-N 3.04Å; A330-Q347 PolarHBondContact O-NE2 2.88Å; A330-F349 HydrophobicContact CB-CE1 3.95Å
331	K	98.5	Very high	98	Very high	77 Å²	77	47.4 Å²	47.4	34%	0.335	24%	0.241	S	C	.	.	H	α-helix	trans	-64.6	-42.2	173.6	-72.9	167.5	-167.4	151.9	0	111.8	L327 D328 E329 K335 Y373	L327-K331 WeakPolarHBondContact O-CG 3Å; L327-K331 PolarHBondContact O-N 2.8Å; D328-K331 WeakPolarHBondContact O-CB 3.41Å; D328-K331 PolarHBondContact O-N 3.26Å; D328-K331 IonicContact OD1-NZ 2.64Å; D328-K331 PolarHBondContact OD1-NZ 3.26Å; E329-K331 VanDerWaalsContact C-N 3.32Å; E329-K331 PolarHBondContact O-N 2.74Å; K331-K335 WeakPolarHBondContact O-CB 3.24Å; K331-K335 PolarHBondContact O-N 3.37Å; K331-Y373 HydrophobicContact CB-CE2 4.27Å; K331-Y373 HydrophobicContact CD-CD2 4.27Å; K331-Y373 HydrophobicContact CD-CE2 4.42Å; K331-Y373 HydrophobicContact CG-CD2 3.62Å; K331-Y373 HydrophobicContact CG-CE2 3.37Å; K331-Y373 HydrophobicContact CG-CG 4.38Å
332	E	98.3	Very high	98.1	Very high	125 Å²	125	46.5 Å²	46.5	58%	0.584	24%	0.238	S	C	*	.	H	α-helix	trans	-65	-46.7	-178.9	-175.4	174.4	176.2	0	0	111.3	D328 E329 L334 K335 R336	D328-E332 PolarHBondContact O-N 2.9Å; E329-E332 PolarHBondContact O-N 3.41Å; E329-E332 VanDerWaalsContact O-N 3.12Å; E332-L334 PolarHBondContact O-N 2.95Å; E332-K335 PolarHBondContact O-N 3.31Å; E332-K335 VanDerWaalsContact O-N 3.16Å; E332-R336 PolarHBondContact O-N 3.08Å
333	V	98.3	Very high	98.1	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.055	23%	0.232	C	C	.	.	H	α-helix	trans	-57.9	-49.1	176.8	175.4	0	0	0	0	110.8	I319 M324 E329 K335 R336 N337 D633	I319-V333 HydrophobicContact CD1-CG1 4.44Å; M324-V333 HydrophobicContact CE-CB 4.3Å; M324-V333 HydrophobicContact CE-CG1 4.37Å; M324-V333 HydrophobicContact CE-CG2 3.79Å; M324-V333 HydrophobicContact SD-CG2 4.33Å; E329-V333 VanDerWaalsContact O-CG2 3.26Å; E329-V333 WeakPolarHBondContact O-CG2 3.43Å; E329-V333 PolarHBondContact O-N 3.42Å; V333-K335 VanDerWaalsContact C-N 3.34Å; V333-K335 PolarHBondContact O-N 2.74Å; V333-R336 VanDerWaalsContact O-CG 3.27Å; V333-R336 WeakPolarHBondContact O-CG 3.46Å; V333-N337 PolarHBondContact O-N 2.67Å; V333-N337 PolarHBondContact O-ND2 3.07Å; V333-D633 HydrophobicContact CG1-CB 4.26Å
334	L	98.5	Very high	98.2	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-46.5	176.2	179.1	66.9	0	0	0	111.1	I319 A330 E332 R336 N337 V338 I344 Y373 L378 Y382	I319-L334 HydrophobicContact CD1-CB 4.46Å; I319-L334 HydrophobicContact CD1-CD1 3.98Å; A330-L334 PolarHBondContact O-N 3.04Å; E332-L334 PolarHBondContact O-N 2.95Å; L334-R336 PolarHBondContact O-N 2.76Å; L334-N337 PolarHBondContact O-N 2.75Å; L334-V338 HydrophobicContact CD1-CG2 3.86Å; L334-V338 HydrophobicContact CG-CG2 4.05Å; L334-V338 WeakPolarHBondContact O-CG2 3.49Å; L334-V338 PolarHBondContact O-N 3.36Å; L334-I344 HydrophobicContact CD1-CD1 3.98Å; L334-I344 HydrophobicContact CD1-CG2 4.29Å; L334-Y373 VanDerWaalsContact CD2-OH 3.22Å; L334-Y373 WeakPolarHBondContact CD2-OH 3.45Å; L334-L378 HydrophobicContact CD2-CD2 3.2Å; L334-Y382 HydrophobicContact CD2-CD2 3.86Å; L334-Y382 HydrophobicContact CD2-CE2 4.21Å
335	K	98.5	Very high	98.3	Very high	101 Å²	101	43.7 Å²	43.7	44%	0.439	22%	0.224	S	C	.	.	H	α-helix	trans	-59.7	-47.1	-176.1	176.8	168.3	170.2	42.5	0	112	K331 E332 V333 N337 V338 D339	K331-K335 WeakPolarHBondContact O-CB 3.24Å; K331-K335 PolarHBondContact O-N 3.37Å; E332-K335 PolarHBondContact O-N 3.31Å; E332-K335 VanDerWaalsContact O-N 3.16Å; V333-K335 VanDerWaalsContact C-N 3.34Å; V333-K335 PolarHBondContact O-N 2.74Å; K335-N337 VanDerWaalsContact C-N 3.3Å; K335-N337 PolarHBondContact O-N 3.06Å; K335-V338 PolarHBondContact O-N 3.03Å; K335-D339 WeakPolarHBondContact CE-OD2 3.14Å; K335-D339 WeakPolarHBondContact CG-OD2 3.24Å; K335-D339 VanDerWaalsContact NZ-CG 3.31Å; K335-D339 IonicContact NZ-OD1 3.94Å; K335-D339 PolarHBondContact NZ-OD1 2.83Å; K335-D339 VanDerWaalsContact NZ-OD1 3.14Å; K335-D339 IonicContact NZ-OD2 2.66Å; K335-D339 PolarHBondContact NZ-OD2 3.02Å; K335-D339 WeakPolarHBondContact O-CB 3.5Å; K335-D339 PolarHBondContact O-N 3.34Å
336	R	98.4	Very high	98.4	Very high	55 Å²	55	37.2 Å²	37.2	21%	0.208	20%	0.195	C	C	.	.	H	α-helix	trans	-62.7	-37.4	-179.3	64.8	175.6	175.4	-125.6	6	112.3	E332 V333 L334 A340 D631 D633 A635	E332-R336 PolarHBondContact O-N 3.08Å; V333-R336 VanDerWaalsContact O-CG 3.27Å; V333-R336 WeakPolarHBondContact O-CG 3.46Å; L334-R336 PolarHBondContact O-N 2.76Å; R336-A340 VanDerWaalsContact O-CB 3.3Å; R336-A340 WeakPolarHBondContact O-CB 3.26Å; R336-A340 PolarHBondContact O-N 2.9Å; R336-D631 IonicContact CZ-OD2 2.79Å; R336-D631 IonicContact NH1-OD2 3.03Å; R336-D631 PolarHBondContact NH1-OD2 2.86Å; R336-D631 IonicContact NH2-OD2 3.57Å; R336-D631 PolarHBondContact NH2-OD2 2.71Å; R336-D633 IonicContact CZ-OD1 2.76Å; R336-D633 IonicContact CZ-OD2 2.66Å; R336-D633 IonicContact NE-OD1 3.47Å; R336-D633 IonicContact NE-OD2 2.81Å; R336-D633 PolarHBondContact NE-OD2 3.25Å; R336-D633 VanDerWaalsContact NH2-CG 3.27Å; R336-D633 IonicContact NH2-OD1 2.76Å; R336-D633 PolarHBondContact NH2-OD1 3Å; R336-D633 IonicContact NH2-OD2 3.19Å; R336-D633 PolarHBondContact NH2-OD2 2.83Å; R336-A635 HydrophobicContact CB-CB 4.32Å; R336-A635 HydrophobicContact CG-CB 4.11Å; R336-A635 WeakPolarHBondContact O-CB 3.31Å
337	N	98.8	Very high	98.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-72	-42.3	177.5	-73.7	-79	0	0	0	112.5	V333 L334 K335 A340 G341 I342 I344 D633 P634 A635	V333-N337 PolarHBondContact O-N 2.67Å; V333-N337 PolarHBondContact O-ND2 3.07Å; L334-N337 PolarHBondContact O-N 2.75Å; K335-N337 VanDerWaalsContact C-N 3.3Å; K335-N337 PolarHBondContact O-N 3.06Å; N337-A340 PolarHBondContact O-N 2.8Å; N337-G341 PolarHBondContact O-N 3.38Å; N337-I342 HydrophobicContact CB-CB 4.09Å; N337-I342 HydrophobicContact CB-CG1 4.18Å; N337-I342 WeakPolarHBondContact O-CB 3.35Å; N337-I342 WeakPolarHBondContact O-CG1 3.21Å; N337-I342 PolarHBondContact O-N 2.75Å; N337-I344 HydrophobicContact CB-CD1 3.52Å; N337-D633 PolarHBondContact ND2-OD2 3.34Å; N337-P634 VanDerWaalsContact OD1-CD 3.32Å; N337-P634 WeakPolarHBondContact OD1-CD 3.11Å; N337-A635 HydrophobicContact CB-CB 4.32Å; N337-A635 WeakPolarHBondContact OD1-CB 3.28Å; N337-A635 PolarHBondContact OD1-N 3.36Å
338	V	98.3	Very high	98.5	Very high	41 Å²	41	34.9 Å²	34.9	25%	0.248	18%	0.182	C	C	.	.	H	α-helix	trans	-62	-44.8	174.3	170.2	0	0	0	0	110.8	L334 K335 A340 G341 Y382	L334-V338 HydrophobicContact CD1-CG2 3.86Å; L334-V338 HydrophobicContact CG-CG2 4.05Å; L334-V338 WeakPolarHBondContact O-CG2 3.49Å; L334-V338 PolarHBondContact O-N 3.36Å; K335-V338 PolarHBondContact O-N 3.03Å; V338-A340 VanDerWaalsContact C-N 3.26Å; V338-A340 PolarHBondContact O-N 2.83Å; V338-G341 PolarHBondContact O-N 2.99Å; V338-Y382 HydrophobicContact CG1-CD1 3.96Å; V338-Y382 HydrophobicContact CG1-CE1 3.7Å; V338-Y382 HydrophobicContact CG2-CD1 4.49Å
339	D	98.3	Very high	98.5	Very high	104 Å²	104	30.3 Å²	30.3	56%	0.556	16%	0.158	S	C	*	.	H	α-helix	trans	-63.8	-32.4	177.6	-70	-13.4	0	0	0	111.9	K335 G341	K335-D339 WeakPolarHBondContact CE-OD2 3.14Å; K335-D339 WeakPolarHBondContact CG-OD2 3.24Å; K335-D339 VanDerWaalsContact NZ-CG 3.31Å; K335-D339 IonicContact NZ-OD1 3.94Å; K335-D339 PolarHBondContact NZ-OD1 2.83Å; K335-D339 VanDerWaalsContact NZ-OD1 3.14Å; K335-D339 IonicContact NZ-OD2 2.66Å; K335-D339 PolarHBondContact NZ-OD2 3.02Å; K335-D339 WeakPolarHBondContact O-CB 3.5Å; K335-D339 PolarHBondContact O-N 3.34Å; D339-G341 PolarHBondContact O-N 3.24Å
340	A	98.5	Very high	98.5	Very high	31 Å²	31	29.4 Å²	29.4	26%	0.256	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-8.5	173.6	0	0	0	0	0	113.8	R336 N337 V338 I342 A635 T642 K646	R336-A340 VanDerWaalsContact O-CB 3.3Å; R336-A340 WeakPolarHBondContact O-CB 3.26Å; R336-A340 PolarHBondContact O-N 2.9Å; N337-A340 PolarHBondContact O-N 2.8Å; V338-A340 VanDerWaalsContact C-N 3.26Å; V338-A340 PolarHBondContact O-N 2.83Å; A340-I342 HydrophobicContact CB-CG1 4.16Å; A340-A635 HydrophobicContact CB-CB 3.82Å; A340-T642 HydrophobicContact CB-CG2 3.9Å; A340-K646 WeakPolarHBondContact O-CD 3.43Å; A340-K646 PolarHBondContact O-NZ 3.33Å
341	G	98	Very high	98.5	Very high	34 Å²	34	29.4 Å²	29.4	35%	0.351	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	26.1	-179.8	0	0	0	0	0	114	N337 V338 D339 P343 K646	N337-G341 PolarHBondContact O-N 3.38Å; V338-G341 PolarHBondContact O-N 2.99Å; D339-G341 PolarHBondContact O-N 3.24Å; G341-P343 WeakPolarHBondContact O-CD 3.31Å; G341-K646 WeakPolarHBondContact O-CD 3.46Å
342	I	98.7	Very high	98.5	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.015	14%	0.14	C	C	.	.			trans	-74	123.8	174.4	-56.1	-63.1	0	0	0	108.9	F317 N337 A340 I344 P634 T642 K646 L649	F317-I342 HydrophobicContact CD1-CG2 4.31Å; F317-I342 HydrophobicContact CE1-CG2 4.33Å; N337-I342 HydrophobicContact CB-CB 4.09Å; N337-I342 HydrophobicContact CB-CG1 4.18Å; N337-I342 WeakPolarHBondContact O-CB 3.35Å; N337-I342 WeakPolarHBondContact O-CG1 3.21Å; N337-I342 PolarHBondContact O-N 2.75Å; A340-I342 HydrophobicContact CB-CG1 4.16Å; I342-I344 HydrophobicContact CG2-CD1 4.31Å; I342-I344 HydrophobicContact CG2-CG1 4.01Å; I342-I344 PolarHBondContact O-N 2.99Å; I342-P634 HydrophobicContact CD1-CB 3.69Å; I342-P634 HydrophobicContact CG1-CB 3.92Å; I342-P634 HydrophobicContact CG2-CB 4.21Å; I342-P634 HydrophobicContact CG2-CG 4.09Å; I342-T642 HydrophobicContact CD1-CG2 4.08Å; I342-K646 HydrophobicContact CD1-CB 3.72Å; I342-K646 HydrophobicContact CD1-CG 4.18Å; I342-L649 HydrophobicContact CG2-CD1 3.73Å
343	P	98.7	Very high	98.5	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.013	11%	0.112	C	C	.	.			trans	-63.5	129.7	170.5	-21.7	34.6	0	0	0	110.9	F317 G341 L649 K650 Y653 A763 E764	F317-P343 WeakPolarHBondContact CB-O 3.4Å; F317-P343 WeakPolarHBondContact CD1-O 3.49Å; G341-P343 WeakPolarHBondContact O-CD 3.31Å; P343-L649 HydrophobicContact CG-CB 4.42Å; P343-K650 HydrophobicContact CG-CG 4.23Å; P343-Y653 HydrophobicContact CB-CD1 4.01Å; P343-Y653 HydrophobicContact CB-CD2 3.77Å; P343-Y653 HydrophobicContact CB-CE1 3.69Å; P343-Y653 HydrophobicContact CB-CE2 3.4Å; P343-Y653 VanDerWaalsContact CB-CE2 3.4Å; P343-Y653 HydrophobicContact CB-CG 4.04Å; P343-Y653 HydrophobicContact CG-CD2 4.32Å; P343-Y653 HydrophobicContact CG-CE2 4.37Å; P343-Y653 HydrophobicContact CG-CG 4.49Å; P343-A763 WeakPolarHBondContact CB-O 3.32Å; P343-E764 CarbonylContact C-O 3.57Å; P343-E764 VanDerWaalsContact CA-O 3.29Å; P343-E764 WeakPolarHBondContact CA-O 3.18Å
344	I	98.8	Very high	98.5	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.01	11%	0.109	C	C	.	.			trans	-144	120.6	-178.7	-63.1	169.6	0	0	0	108.9	F317 I319 L334 N337 I342 V384 E764 T765	F317-I344 HydrophobicContact CD1-CG1 4.2Å; I319-I344 HydrophobicContact CD1-CD1 4.03Å; I319-I344 HydrophobicContact CD1-CG2 4.4Å; I319-I344 HydrophobicContact CG1-CG2 4.05Å; I319-I344 HydrophobicContact CG2-CD1 4.2Å; I319-I344 HydrophobicContact CG2-CG1 4.34Å; L334-I344 HydrophobicContact CD1-CD1 3.98Å; L334-I344 HydrophobicContact CD1-CG2 4.29Å; N337-I344 HydrophobicContact CB-CD1 3.52Å; I342-I344 HydrophobicContact CG2-CD1 4.31Å; I342-I344 HydrophobicContact CG2-CG1 4.01Å; I342-I344 PolarHBondContact O-N 2.99Å; I344-V384 HydrophobicContact CG2-CG1 4.43Å; I344-V384 HydrophobicContact CG2-CG2 4.49Å; I344-E764 PolarHBondContact N-O 2.65Å; I344-T765 VanDerWaalsContact O-CG2 3.32Å; I344-T765 WeakPolarHBondContact O-CG2 3.48Å
345	D	98.8	Very high	98.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-98.4	-24	175.8	-89.6	-104	0	0	0	113.6	W313 F317 R385 Y653 T765 T766	W313-D345 WeakPolarHBondContact O-CB 3.36Å; F317-D345 PolarHBondContact O-N 3.06Å; D345-R385 WeakPolarHBondContact O-CB 3.01Å; D345-R385 WeakPolarHBondContact O-CG 3.49Å; D345-R385 PolarHBondContact O-N 2.99Å; D345-Y653 PolarHBondContact N-OH 3.35Å; D345-Y653 WeakPolarHBondContact OD2-CE1 3.38Å; D345-Y653 VanDerWaalsContact OD2-CZ 3.23Å; D345-Y653 PolarHBondContact OD2-OH 2.96Å; D345-T765 WeakPolarHBondContact OD2-CA 3.31Å; D345-T766 WeakPolarHBondContact OD1-CB 3.45Å; D345-T766 VanDerWaalsContact OD1-CG2 3.3Å; D345-T766 WeakPolarHBondContact OD1-CG2 3.18Å; D345-T766 PolarHBondContact OD1-N 2.88Å; D345-T766 PolarHBondContact OD1-OG1 2.77Å; D345-T766 PolarHBondContact OD2-N 2.9Å
346	A	98.8	Very high	98.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	136.2	179.6	0	0	0	0	0	112.9	W313 F317 H318 I319 R385	W313-A346 HydrophobicContact CZ3-CB 4.12Å; F317-A346 PolarHBondContact O-N 2.84Å; H318-A346 WeakPolarHBondContact CA-O 3.39Å; H318-A346 WeakPolarHBondContact ND1-CB 3.42Å; I319-A346 PolarHBondContact N-O 3.42Å; A346-R385 VanDerWaalsContact CA-O 3.29Å; A346-R385 WeakPolarHBondContact CA-O 3.44Å; A346-R385 HydrophobicContact CB-CB 4.18Å
347	Q	98.8	Very high	98.3	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.019	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	134.4	162.7	-177	168.7	45.3	0	0	109.1	I319 A330 Y373 L378 V384 R385 T386 V387	I319-Q347 HydrophobicContact CD1-CB 4.48Å; I319-Q347 HydrophobicContact CD1-CG 4.3Å; I319-Q347 HydrophobicContact CG1-CB 4.23Å; I319-Q347 HydrophobicContact CG1-CG 4.25Å; A330-Q347 PolarHBondContact O-NE2 2.88Å; Q347-Y373 VanDerWaalsContact OE1-CE1 3.28Å; Q347-Y373 PolarHBondContact OE1-OH 2.63Å; Q347-L378 HydrophobicContact CB-CD1 4.31Å; Q347-L378 HydrophobicContact CB-CD2 4.37Å; Q347-V384 HydrophobicContact CB-CG1 4.13Å; Q347-R385 PolarHBondContact N-O 2.95Å; Q347-T386 WeakPolarHBondContact O-CA 3.39Å; Q347-V387 PolarHBondContact O-N 2.89Å
348	W	98.8	Very high	98.2	Very high	9 Å²	9	23.3 Å²	23.3	3%	0.034	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	151.8	-175	-64.6	52	0	0	0	109.8	H318 I319 C320 V387 W464 F546 L548 F620	H318-W348 HydrophobicContact CB-CZ2 4.42Å; H318-W348 AromaticContact CG-NE1 3.51Å; H318-W348 AromaticContact ND1-CE2 3.4Å; H318-W348 AromaticContact ND1-CZ2 3.29Å; H318-W348 VanDerWaalsContact ND1-CZ2 3.29Å; H318-W348 WeakPolarHBondContact ND1-CZ2 3.49Å; H318-W348 AromaticContact ND1-NE1 2.97Å; H318-W348 PolarHBondContact ND1-NE1 3.42Å; I319-W348 PolarHBondContact O-N 2.7Å; C320-W348 HydrophobicContact CB-CB 3.6Å; C320-W348 HydrophobicContact CB-CG 4.05Å; C320-W348 WeakPolarHBondContact SG-CB 3.46Å; W348-V387 VanDerWaalsContact CA-O 3.26Å; W348-V387 WeakPolarHBondContact CA-O 3.45Å; W348-V387 HydrophobicContact CD2-CB 3.6Å; W348-V387 HydrophobicContact CD2-CG1 3.76Å; W348-V387 HydrophobicContact CD2-CG2 4.29Å; W348-V387 HydrophobicContact CE3-CB 3.97Å; W348-V387 HydrophobicContact CE3-CG1 3.57Å; W348-V387 HydrophobicContact CG-CB 3.95Å; W348-V387 HydrophobicContact CH2-CB 4.41Å; W348-V387 HydrophobicContact CH2-CG1 3.8Å; W348-V387 HydrophobicContact CZ2-CB 4.09Å; W348-V387 HydrophobicContact CZ2-CG1 3.98Å; W348-V387 HydrophobicContact CZ2-CG2 3.98Å; W348-V387 HydrophobicContact CZ3-CB 4.38Å; W348-V387 HydrophobicContact CZ3-CG1 3.62Å; W348-W464 HydrophobicContact CE3-CB 4.09Å; W348-W464 HydrophobicContact CE3-CD2 4.18Å; W348-W464 AromaticContact CE3-CE3 3.77Å; W348-W464 HydrophobicContact CE3-CE3 3.77Å; W348-W464 HydrophobicContact CE3-CG 4.33Å; W348-W464 HydrophobicContact CZ3-CB 3.65Å; W348-W464 HydrophobicContact CZ3-CD2 4.08Å; W348-W464 HydrophobicContact CZ3-CE3 4.16Å; W348-W464 AromaticContact CZ3-CG 3.87Å; W348-W464 HydrophobicContact CZ3-CG 3.87Å; W348-F546 AromaticContact CH2-CE1 3.65Å; W348-F546 HydrophobicContact CH2-CE1 3.65Å; W348-F546 HydrophobicContact CH2-CZ 4.06Å; W348-F546 AromaticContact CZ2-CE1 3.62Å; W348-F546 HydrophobicContact CZ2-CE1 3.62Å; W348-F546 HydrophobicContact CZ2-CZ 4.02Å; W348-L548 HydrophobicContact CH2-CB 3.95Å; W348-L548 HydrophobicContact CH2-CD2 3.6Å; W348-L548 HydrophobicContact CH2-CG 4.3Å; W348-L548 HydrophobicContact CZ3-CB 4.21Å; W348-L548 HydrophobicContact CZ3-CD2 3.55Å; W348-L548 HydrophobicContact CZ3-CG 4.49Å; W348-F620 HydrophobicContact CH2-CE2 4.11Å; W348-F620 AromaticContact CH2-CZ 3.61Å; W348-F620 HydrophobicContact CH2-CZ 3.61Å; W348-F620 AromaticContact CZ2-CE2 3.85Å; W348-F620 HydrophobicContact CZ2-CE2 3.85Å; W348-F620 AromaticContact CZ2-CZ 3.71Å; W348-F620 HydrophobicContact CZ2-CZ 3.71Å
349	F	98.7	Very high	98.2	Very high	7 Å²	7	21.4 Å²	21.4	3%	0.031	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.9	171.9	-63.9	-88.7	0	0	0	109.6	L327 A330 Y353 F367 I370 Y373 V374 L378 T386 V387 L388 I389	L327-F349 HydrophobicContact CD1-CE1 4.18Å; L327-F349 HydrophobicContact CD1-CZ 4.33Å; A330-F349 HydrophobicContact CB-CE1 3.95Å; F349-Y353 HydrophobicContact CB-CD1 3.61Å; F349-Y353 HydrophobicContact CB-CE1 4.38Å; F349-Y353 HydrophobicContact CB-CG 4.23Å; F349-F367 HydrophobicContact CD1-CD1 4.49Å; F349-F367 HydrophobicContact CD1-CE1 4.19Å; F349-F367 HydrophobicContact CE1-CE1 4.38Å; F349-I370 HydrophobicContact CD1-CD1 3.94Å; F349-I370 HydrophobicContact CD2-CD1 4.2Å; F349-I370 HydrophobicContact CE1-CD1 3.82Å; F349-I370 HydrophobicContact CE1-CG1 4.47Å; F349-I370 HydrophobicContact CE2-CD1 4.09Å; F349-I370 HydrophobicContact CE2-CG1 4.47Å; F349-I370 HydrophobicContact CG-CD1 4.12Å; F349-I370 HydrophobicContact CZ-CD1 3.89Å; F349-I370 HydrophobicContact CZ-CG1 4.18Å; F349-Y373 HydrophobicContact CZ-CD1 4.03Å; F349-Y373 AromaticContact CZ-CE1 3.87Å; F349-Y373 HydrophobicContact CZ-CE1 3.87Å; F349-V374 HydrophobicContact CE2-CG2 4.45Å; F349-L378 HydrophobicContact CE2-CD1 4.35Å; F349-T386 HydrophobicContact CD2-CG2 3.86Å; F349-T386 HydrophobicContact CE2-CG2 3.85Å; F349-V387 PolarHBondContact N-O 3.41Å; F349-L388 HydrophobicContact CB-CD2 3.84Å; F349-L388 HydrophobicContact CD2-CD2 3.8Å; F349-L388 HydrophobicContact CG-CD2 4.21Å; F349-I389 PolarHBondContact O-N 3.26Å
350	D	98.6	Very high	98.2	Very high	11 Å²	11	17.5 Å²	17.5	6%	0.059	10%	0.104	C	C	.	.			trans	-75.7	-177.5	170	-144.5	-53.9	0	0	0	111.3	R321 Y322 D352 Y353 W464 H624	R321-D350 WeakPolarHBondContact O-CB 3.38Å; Y322-D350 WeakPolarHBondContact CB-OD2 3.18Å; Y322-D350 HydrophobicContact CD2-CB 4.45Å; D350-D352 PolarHBondContact O-N 3.05Å; D350-Y353 WeakPolarHBondContact O-CD1 3.35Å; D350-Y353 PolarHBondContact O-N 3.13Å; D350-W464 HydrophobicContact CB-CZ3 4.45Å; D350-W464 WeakPolarHBondContact OD2-CH2 3.38Å; D350-W464 WeakPolarHBondContact OD2-CZ3 2.98Å; D350-H624 IonicContact OD2-CE1 3.81Å; D350-H624 PolarHBondContact OD2-CE1 3.08Å; D350-H624 IonicContact OD2-NE2 3.36Å
351	I	98.5	Very high	98.1	Very high	1 Å²	1	17 Å²	17	1%	0.005	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-56.1	-16	-171.9	63	175	0	0	0	113.5	Y322 Y353 M354 Y357 I389 W429	Y322-I351 HydrophobicContact CD2-CD1 4.4Å; Y322-I351 HydrophobicContact CD2-CG1 3.98Å; Y322-I351 HydrophobicContact CE2-CD1 3.82Å; Y322-I351 HydrophobicContact CE2-CG1 3.73Å; I351-Y353 PolarHBondContact O-N 3.41Å; I351-Y353 VanDerWaalsContact O-N 3.16Å; I351-M354 HydrophobicContact CG2-CE 4.36Å; I351-M354 WeakPolarHBondContact O-CB 3.35Å; I351-M354 PolarHBondContact O-N 2.82Å; I351-Y357 HydrophobicContact CB-CD1 3.98Å; I351-Y357 HydrophobicContact CD1-CD1 3.72Å; I351-Y357 HydrophobicContact CD1-CE1 4Å; I351-Y357 HydrophobicContact CD1-CG 4.47Å; I351-Y357 HydrophobicContact CG1-CD1 3.8Å; I351-Y357 HydrophobicContact CG1-CE1 4.08Å; I351-I389 HydrophobicContact CB-CG2 4.41Å; I351-I389 HydrophobicContact CG2-CD1 4.11Å; I351-I389 HydrophobicContact CG2-CG2 3.68Å; I351-I389 VanDerWaalsContact N-CG2 3.29Å; I351-W429 HydrophobicContact CD1-CB 4.11Å; I351-W429 HydrophobicContact CD1-CD2 3.54Å; I351-W429 HydrophobicContact CD1-CE3 3.92Å; I351-W429 HydrophobicContact CD1-CG 3.63Å
352	D	98.2	Very high	98.1	Very high	9 Å²	9	16.5 Å²	16.5	5%	0.048	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-50.6	-36.6	175.1	-57.1	-57.4	0	0	0	113.3	G323 M324 D350 M354 R366 F367	G323-D352 PolarHBondContact N-OD1 2.7Å; G323-D352 PolarHBondContact N-OD2 3Å; M324-D352 HydrophobicContact CB-CB 4.46Å; M324-D352 PolarHBondContact N-OD2 2.83Å; M324-D352 WeakPolarHBondContact O-CB 3.25Å; D350-D352 PolarHBondContact O-N 3.05Å; D352-M354 PolarHBondContact O-N 3.43Å; D352-R366 PolarHBondContact O-NH2 3.4Å; D352-F367 VanDerWaalsContact C-CE2 3.45Å; D352-F367 HydrophobicContact CB-CE2 3.85Å; D352-F367 HydrophobicContact CB-CZ 3.67Å; D352-F367 WeakPolarHBondContact O-CD2 3.35Å; D352-F367 WeakPolarHBondContact O-CE2 3.48Å
353	Y	98.4	Very high	98.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-69.3	-20.2	-176.7	82.3	-99	0	0	0	112.8	F349 D350 I351 S361 V362 D363 L388 I389 I390 F454 I458	F349-Y353 HydrophobicContact CB-CD1 3.61Å; F349-Y353 HydrophobicContact CB-CE1 4.38Å; F349-Y353 HydrophobicContact CB-CG 4.23Å; D350-Y353 WeakPolarHBondContact O-CD1 3.35Å; D350-Y353 PolarHBondContact O-N 3.13Å; I351-Y353 PolarHBondContact O-N 3.41Å; I351-Y353 VanDerWaalsContact O-N 3.16Å; Y353-S361 VanDerWaalsContact CE2-O 3.29Å; Y353-S361 WeakPolarHBondContact CE2-O 3.49Å; Y353-V362 HydrophobicContact CD2-CG2 4.47Å; Y353-V362 CarbonylContact O-C 3.31Å; Y353-V362 VanDerWaalsContact O-CA 3.3Å; Y353-V362 WeakPolarHBondContact O-CA 3.29Å; Y353-D363 PolarHBondContact O-N 3.01Å; Y353-L388 HydrophobicContact CD1-CD2 4.39Å; Y353-L388 HydrophobicContact CE1-CB 4.11Å; Y353-L388 HydrophobicContact CE1-CD2 4.17Å; Y353-I389 HydrophobicContact CE1-CG2 4.22Å; Y353-I389 PolarHBondContact OH-O 3.41Å; Y353-I389 VanDerWaalsContact OH-O 3.07Å; Y353-I390 WeakPolarHBondContact OH-CD1 3.23Å; Y353-F454 AromaticContact CE2-CE1 3.99Å; Y353-F454 HydrophobicContact CE2-CE1 3.99Å; Y353-F454 AromaticContact CE2-CZ 3.79Å; Y353-F454 HydrophobicContact CE2-CZ 3.79Å; Y353-I458 HydrophobicContact CD2-CD1 4.47Å
354	M	98.3	Very high	98	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-81.3	146.6	-172	-59.6	-177.6	-167.2	0	0	112.3	I351 D352 A356 I389 I390	I351-M354 HydrophobicContact CG2-CE 4.36Å; I351-M354 WeakPolarHBondContact O-CB 3.35Å; I351-M354 PolarHBondContact O-N 2.82Å; D352-M354 PolarHBondContact O-N 3.43Å; M354-A356 PolarHBondContact O-N 2.79Å; M354-A356 VanDerWaalsContact O-N 3.14Å; M354-I389 HydrophobicContact CE-CG2 3.71Å; M354-I389 WeakPolarHBondContact CE-O 3.45Å; M354-I390 HydrophobicContact CE-CD1 4.34Å
355	D	96.5	Very high	98	Very high	67 Å²	67	31.9 Å²	31.9	36%	0.358	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-70.5	109.1	172.1	175.7	39.2	0	0	0	109.2	Y357 K358 S361	D355-Y357 PolarHBondContact O-N 3.18Å; D355-K358 WeakPolarHBondContact O-CB 3.45Å; D355-K358 WeakPolarHBondContact O-CE 3.11Å; D355-K358 WeakPolarHBondContact O-CG 3.46Å; D355-K358 PolarHBondContact O-N 2.87Å; D355-K358 VanDerWaalsContact O-N 3.08Å; D355-K358 VanDerWaalsContact OD2-CE 3.24Å; D355-K358 WeakPolarHBondContact OD2-CE 3.34Å; D355-K358 IonicContact OD2-NZ 3.29Å; D355-K358 PolarHBondContact OD2-NZ 2.62Å; D355-S361 WeakPolarHBondContact CB-OG 3.31Å; D355-S361 PolarHBondContact N-OG 3.11Å
356	A	96.3	Very high	97.9	Very high	57 Å²	57	35.6 Å²	35.6	47%	0.471	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	48.3	42.5	-176.1	0	0	0	0	0	113	M354 K358 P430	M354-A356 PolarHBondContact O-N 2.79Å; M354-A356 VanDerWaalsContact O-N 3.14Å; A356-K358 PolarHBondContact O-N 3.12Å; A356-K358 VanDerWaalsContact O-N 3.09Å; A356-P430 WeakPolarHBondContact O-CB 3.25Å
357	Y	97.1	Very high	97.9	Very high	78 Å²	78	35.6 Å²	35.6	31%	0.306	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	60.3	17.6	178.4	-41.3	-68.1	0	0	0	115	I351 D355 W429	I351-Y357 HydrophobicContact CB-CD1 3.98Å; I351-Y357 HydrophobicContact CD1-CD1 3.72Å; I351-Y357 HydrophobicContact CD1-CE1 4Å; I351-Y357 HydrophobicContact CD1-CG 4.47Å; I351-Y357 HydrophobicContact CG1-CD1 3.8Å; I351-Y357 HydrophobicContact CG1-CE1 4.08Å; D355-Y357 PolarHBondContact O-N 3.18Å; Y357-W429 WeakPolarHBondContact CD2-O 3.42Å; Y357-W429 HydrophobicContact CG-CB 4.08Å
358	K	97.8	Very high	97.9	Very high	29 Å²	29	37.4 Å²	37.4	13%	0.126	20%	0.2	C	C	.	.			trans	-77.2	125.5	176.5	-67.2	174.6	-67.2	-175.4	0	109.7	D355 A356 S361 Y402 P430	D355-K358 WeakPolarHBondContact O-CB 3.45Å; D355-K358 WeakPolarHBondContact O-CE 3.11Å; D355-K358 WeakPolarHBondContact O-CG 3.46Å; D355-K358 PolarHBondContact O-N 2.87Å; D355-K358 VanDerWaalsContact O-N 3.08Å; D355-K358 VanDerWaalsContact OD2-CE 3.24Å; D355-K358 WeakPolarHBondContact OD2-CE 3.34Å; D355-K358 IonicContact OD2-NZ 3.29Å; D355-K358 PolarHBondContact OD2-NZ 2.62Å; A356-K358 PolarHBondContact O-N 3.12Å; A356-K358 VanDerWaalsContact O-N 3.09Å; K358-S361 WeakPolarHBondContact O-CB 3.46Å; K358-S361 PolarHBondContact O-N 2.98Å; K358-S361 PolarHBondContact O-OG 2.74Å; K358-Y402 HydrophobicContact CB-CE2 3.93Å; K358-Y402 HydrophobicContact CD-CD2 4.49Å; K358-Y402 HydrophobicContact CD-CE2 4.36Å; K358-P430 HydrophobicContact CG-CB 4.32Å
359	I	97.8	Very high	97.8	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	150.2	174	65.5	167.9	0	0	0	111.7	S361 I390 D391 V394 Y402 P404 W447	I359-S361 PolarHBondContact O-N 3.43Å; I359-I390 HydrophobicContact CG2-CG2 4.46Å; I359-D391 HydrophobicContact CG2-CB 4.15Å; I359-D391 WeakPolarHBondContact CG2-O 3.34Å; I359-V394 HydrophobicContact CD1-CG2 3.84Å; I359-Y402 WeakPolarHBondContact CG1-OH 3.26Å; I359-Y402 PolarHBondContact O-OH 2.77Å; I359-P404 HydrophobicContact CG1-CB 4.47Å; I359-W447 HydrophobicContact CD1-CH2 4.39Å; I359-W447 HydrophobicContact CD1-CZ3 4.03Å
360	W	97.4	Very high	97.8	Very high	23 Å²	23	38.5 Å²	38.5	9%	0.087	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	34	-179.4	-45.3	113.9	0	0	0	114.2	I390 P404 W447 A451 F454 L463	W360-I390 HydrophobicContact CD2-CD1 4.18Å; W360-I390 HydrophobicContact CE3-CD1 3.81Å; W360-I390 HydrophobicContact CH2-CD1 4.11Å; W360-I390 HydrophobicContact CH2-CG1 4.01Å; W360-I390 HydrophobicContact CH2-CG2 4.25Å; W360-I390 HydrophobicContact CZ2-CD1 4.44Å; W360-I390 HydrophobicContact CZ2-CG1 4.46Å; W360-I390 HydrophobicContact CZ2-CG2 3.9Å; W360-I390 HydrophobicContact CZ3-CD1 3.77Å; W360-I390 HydrophobicContact CZ3-CG1 4.07Å; W360-P404 HydrophobicContact CB-CG 4.07Å; W360-P404 HydrophobicContact CG-CG 4.28Å; W360-W447 AromaticContact CE2-CZ3 3.92Å; W360-W447 HydrophobicContact CH2-CZ2 4.36Å; W360-W447 AromaticContact CZ2-CD2 3.91Å; W360-W447 HydrophobicContact CZ2-CD2 3.91Å; W360-W447 AromaticContact CZ2-CE2 3.71Å; W360-W447 AromaticContact CZ2-CE3 3.9Å; W360-W447 HydrophobicContact CZ2-CE3 3.9Å; W360-W447 AromaticContact CZ2-CH2 3.64Å; W360-W447 HydrophobicContact CZ2-CH2 3.64Å; W360-W447 AromaticContact CZ2-CZ2 3.59Å; W360-W447 HydrophobicContact CZ2-CZ2 3.59Å; W360-W447 AromaticContact CZ2-CZ3 3.79Å; W360-W447 HydrophobicContact CZ2-CZ3 3.79Å; W360-W447 AromaticContact NE1-CE3 3.87Å; W360-W447 AromaticContact NE1-CH2 3.92Å; W360-W447 AromaticContact NE1-CZ3 3.43Å; W360-A451 HydrophobicContact CH2-CB 3.65Å; W360-A451 HydrophobicContact CZ2-CB 4.26Å; W360-A451 HydrophobicContact CZ3-CB 4.04Å; W360-F454 VanDerWaalsContact C-CD2 3.42Å; W360-F454 HydrophobicContact CB-CB 4.44Å; W360-F454 HydrophobicContact CB-CD2 4.19Å; W360-F454 HydrophobicContact CB-CG 4.33Å; W360-F454 HydrophobicContact CD2-CB 4.4Å; W360-F454 HydrophobicContact CE3-CB 3.52Å; W360-F454 AromaticContact CE3-CD1 3.76Å; W360-F454 HydrophobicContact CE3-CD1 3.76Å; W360-F454 AromaticContact CE3-CG 3.74Å; W360-F454 HydrophobicContact CE3-CG 3.74Å; W360-F454 HydrophobicContact CZ3-CB 4.18Å; W360-F454 HydrophobicContact CZ3-CD1 4.25Å; W360-F454 VanDerWaalsContact O-CD2 3.31Å; W360-F454 WeakPolarHBondContact O-CD2 3.3Å; W360-F454 WeakPolarHBondContact O-CE2 3.17Å; W360-L463 HydrophobicContact CH2-CD1 4.22Å
361	S	97.1	Very high	97.8	Very high	19 Å²	19	41.1 Å²	41.1	13%	0.133	23%	0.229	C	C	.	.			trans	-135.5	167.3	177.1	80.9	0	0	0	0	112.1	Y353 D355 K358 I359 F454	Y353-S361 VanDerWaalsContact CE2-O 3.29Å; Y353-S361 WeakPolarHBondContact CE2-O 3.49Å; D355-S361 WeakPolarHBondContact CB-OG 3.31Å; D355-S361 PolarHBondContact N-OG 3.11Å; K358-S361 WeakPolarHBondContact O-CB 3.46Å; K358-S361 PolarHBondContact O-N 2.98Å; K358-S361 PolarHBondContact O-OG 2.74Å; I359-S361 PolarHBondContact O-N 3.43Å; S361-F454 WeakPolarHBondContact O-CZ 3.49Å
362	V	97.8	Very high	97.8	Very high	25 Å²	25	44.2 Å²	44.2	15%	0.152	25%	0.248	C	C	.	.			trans	-132.7	129.5	176.5	-179.8	0	0	0	0	109.5	Y353 T364 F367 I370 F454 V457 I458	Y353-V362 HydrophobicContact CD2-CG2 4.47Å; Y353-V362 CarbonylContact O-C 3.31Å; Y353-V362 VanDerWaalsContact O-CA 3.3Å; Y353-V362 WeakPolarHBondContact O-CA 3.29Å; V362-T364 PolarHBondContact O-N 3.07Å; V362-F367 HydrophobicContact CG1-CB 4.16Å; V362-I370 HydrophobicContact CG1-CG2 3.95Å; V362-F454 HydrophobicContact CG2-CE2 3.92Å; V362-F454 HydrophobicContact CG2-CZ 3.69Å; V362-V457 HydrophobicContact CG2-CG1 4.29Å; V362-I458 HydrophobicContact CG2-CD1 3.75Å; V362-I458 HydrophobicContact CG2-CG1 4.38Å
363	D	97.9	Very high	97.8	Very high	21 Å²	21	44 Å²	44	11%	0.112	25%	0.246	C	C	.	.			trans	-68.9	94.4	166.7	-177.2	-22.6	0	0	0	108.6	Y353 K365 R366 F367	Y353-D363 PolarHBondContact O-N 3.01Å; D363-K365 PolarHBondContact O-N 2.89Å; D363-K365 VanDerWaalsContact O-N 3.09Å; D363-K365 WeakPolarHBondContact OD1-CA 3.49Å; D363-K365 WeakPolarHBondContact OD1-CB 3.45Å; D363-K365 PolarHBondContact OD1-N 2.77Å; D363-R366 PolarHBondContact O-N 3.47Å; D363-R366 PolarHBondContact OD1-N 3.09Å; D363-R366 IonicContact OD2-CZ 3.42Å; D363-R366 IonicContact OD2-NE 3.3Å; D363-R366 PolarHBondContact OD2-NE 3.12Å; D363-R366 IonicContact OD2-NH2 3.37Å; D363-R366 PolarHBondContact OD2-NH2 2.72Å; D363-F367 CarbonylContact O-C 3.6Å; D363-F367 WeakPolarHBondContact O-CA 3.3Å; D363-F367 PolarHBondContact O-N 3.41Å
364	T	97.3	Very high	97.8	Very high	113 Å²	113	44.2 Å²	44.2	69%	0.693	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.1	-178.3	57.2	0	0	0	0	114.2	V362 G368	V362-T364 PolarHBondContact O-N 3.07Å; T364-G368 WeakPolarHBondContact O-CA 3.47Å; T364-G368 PolarHBondContact O-N 3.2Å
365	K	98.1	Very high	97.7	Very high	195 Å²	195	49.7 Å²	49.7	85%	0.848	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-48.5	176.4	-62.8	178.6	-179.3	172.6	0	111.5	D363	D363-K365 PolarHBondContact O-N 2.89Å; D363-K365 VanDerWaalsContact O-N 3.09Å; D363-K365 WeakPolarHBondContact OD1-CA 3.49Å; D363-K365 WeakPolarHBondContact OD1-CB 3.45Å; D363-K365 PolarHBondContact OD1-N 2.77Å
366	R	98.2	Very high	97.8	Very high	78 Å²	78	49 Å²	49	29%	0.294	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-32.3	-178.4	-65.6	-174.2	-57.8	125.1	3.2	112.7	K325 N326 L327 D352 D363	K325-R366 VanDerWaalsContact O-CD 3.31Å; K325-R366 WeakPolarHBondContact O-CD 2.92Å; N326-R366 VanDerWaalsContact CA-O 3.3Å; N326-R366 WeakPolarHBondContact CA-O 3.14Å; N326-R366 HydrophobicContact CB-CB 4.26Å; N326-R366 WeakPolarHBondContact CB-O 3.17Å; L327-R366 PolarHBondContact N-O 3.26Å; D352-R366 PolarHBondContact O-NH2 3.4Å; D363-R366 PolarHBondContact O-N 3.47Å; D363-R366 PolarHBondContact OD1-N 3.09Å; D363-R366 IonicContact OD2-CZ 3.42Å; D363-R366 IonicContact OD2-NE 3.3Å; D363-R366 PolarHBondContact OD2-NE 3.12Å; D363-R366 IonicContact OD2-NH2 3.37Å; D363-R366 PolarHBondContact OD2-NH2 2.72Å
367	F	98.6	Very high	97.9	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	26%	0.255	C	S	.	.	S	Bend	trans	-121.2	21.7	-175.1	-68.2	-94.5	0	0	0	113.5	M324 L327 F349 D352 V362 D363 G369 I370	M324-F367 HydrophobicContact CB-CZ 4.15Å; M324-F367 WeakPolarHBondContact O-CZ 3.3Å; L327-F367 HydrophobicContact CB-CD1 4.1Å; L327-F367 HydrophobicContact CD1-CD1 4.47Å; F349-F367 HydrophobicContact CD1-CD1 4.49Å; F349-F367 HydrophobicContact CD1-CE1 4.19Å; F349-F367 HydrophobicContact CE1-CE1 4.38Å; D352-F367 VanDerWaalsContact C-CE2 3.45Å; D352-F367 HydrophobicContact CB-CE2 3.85Å; D352-F367 HydrophobicContact CB-CZ 3.67Å; D352-F367 WeakPolarHBondContact O-CD2 3.35Å; D352-F367 WeakPolarHBondContact O-CE2 3.48Å; V362-F367 HydrophobicContact CG1-CB 4.16Å; D363-F367 CarbonylContact O-C 3.6Å; D363-F367 WeakPolarHBondContact O-CA 3.3Å; D363-F367 PolarHBondContact O-N 3.41Å; F367-G369 PolarHBondContact O-N 2.97Å; F367-I370 HydrophobicContact CD1-CD1 4.34Å; F367-I370 WeakPolarHBondContact O-CB 3.22Å; F367-I370 WeakPolarHBondContact O-CG2 3.3Å; F367-I370 PolarHBondContact O-N 2.89Å
368	G	97.8	Very high	97.9	Very high	42 Å²	42	44.7 Å²	44.7	43%	0.433	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	130.7	170.7	0	0	0	0	0	112.1	L327 T364	L327-G368 WeakPolarHBondContact CD2-O 3.35Å; T364-G368 WeakPolarHBondContact O-CA 3.47Å; T364-G368 PolarHBondContact O-N 3.2Å
369	G	97.7	Very high	97.9	Very high	35 Å²	35	47.1 Å²	47.1	36%	0.361	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	9.9	-178.5	0	0	0	0	0	115.2	F367 D371 V372 Y373	F367-G369 PolarHBondContact O-N 2.97Å; G369-D371 WeakPolarHBondContact CA-OD1 3.25Å; G369-D371 PolarHBondContact O-N 2.84Å; G369-V372 PolarHBondContact O-N 3.48Å; G369-V372 VanDerWaalsContact O-N 3.15Å; G369-Y373 PolarHBondContact O-N 3.39Å
370	I	98.5	Very high	97.9	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-57.7	-33.8	175.5	-171.6	166.8	0	0	0	112.1	L327 F349 V362 F367 V372 Y373 V374 I458	L327-I370 HydrophobicContact CD1-CB 4.21Å; L327-I370 HydrophobicContact CD1-CG1 4.11Å; L327-I370 HydrophobicContact CD2-CB 4.25Å; F349-I370 HydrophobicContact CD1-CD1 3.94Å; F349-I370 HydrophobicContact CD2-CD1 4.2Å; F349-I370 HydrophobicContact CE1-CD1 3.82Å; F349-I370 HydrophobicContact CE1-CG1 4.47Å; F349-I370 HydrophobicContact CE2-CD1 4.09Å; F349-I370 HydrophobicContact CE2-CG1 4.47Å; F349-I370 HydrophobicContact CG-CD1 4.12Å; F349-I370 HydrophobicContact CZ-CD1 3.89Å; F349-I370 HydrophobicContact CZ-CG1 4.18Å; V362-I370 HydrophobicContact CG1-CG2 3.95Å; F367-I370 HydrophobicContact CD1-CD1 4.34Å; F367-I370 WeakPolarHBondContact O-CB 3.22Å; F367-I370 WeakPolarHBondContact O-CG2 3.3Å; F367-I370 PolarHBondContact O-N 2.89Å; I370-V372 PolarHBondContact O-N 3.38Å; I370-Y373 PolarHBondContact O-N 2.9Å; I370-V374 HydrophobicContact CG1-CG2 4.2Å; I370-V374 WeakPolarHBondContact O-CB 3.42Å; I370-V374 VanDerWaalsContact O-CG2 3.24Å; I370-V374 WeakPolarHBondContact O-CG2 3.39Å; I370-V374 PolarHBondContact O-N 2.85Å; I370-I458 HydrophobicContact CD1-CD1 4.05Å; I370-I458 HydrophobicContact CG1-CD1 4.29Å; I370-I458 HydrophobicContact CG2-CD1 3.63Å; I370-I458 HydrophobicContact CG2-CG1 4.02Å
371	D	98	Very high	97.9	Very high	66 Å²	66	59.3 Å²	59.3	35%	0.353	30%	0.302	S	S	.	.	H	α-helix	trans	-59.8	-45.5	175.1	67.1	-53	0	0	0	112.1	G369 R375 V457	G369-D371 WeakPolarHBondContact CA-OD1 3.25Å; G369-D371 PolarHBondContact O-N 2.84Å; D371-R375 WeakPolarHBondContact O-CB 3.43Å; D371-R375 PolarHBondContact O-N 3.25Å; D371-V457 WeakPolarHBondContact CB-O 3.38Å
372	V	98.2	Very high	97.9	Very high	65 Å²	65	60.2 Å²	60.2	39%	0.394	30%	0.303	S	S	.	.	H	α-helix	trans	-69	-41.7	177.3	179.7	0	0	0	0	110.3	G369 I370 R375 D376	G369-V372 PolarHBondContact O-N 3.48Å; G369-V372 VanDerWaalsContact O-N 3.15Å; I370-V372 PolarHBondContact O-N 3.38Å; V372-R375 PolarHBondContact O-N 3.49Å; V372-D376 WeakPolarHBondContact O-CB 3.32Å; V372-D376 PolarHBondContact O-N 2.85Å
373	Y	98.5	Very high	97.9	Very high	6 Å²	6	60.5 Å²	60.5	2%	0.024	31%	0.306	C	S	.	.	I	π-helix	trans	-59.7	-50.1	176.7	175.2	-114.1	0	0	0	112	L327 K331 L334 Q347 F349 G369 I370 R375 V377 L378	L327-Y373 HydrophobicContact CD1-CD1 3.69Å; L327-Y373 HydrophobicContact CD1-CE1 4.31Å; L327-Y373 HydrophobicContact CD1-CG 4.05Å; K331-Y373 HydrophobicContact CB-CE2 4.27Å; K331-Y373 HydrophobicContact CD-CD2 4.27Å; K331-Y373 HydrophobicContact CD-CE2 4.42Å; K331-Y373 HydrophobicContact CG-CD2 3.62Å; K331-Y373 HydrophobicContact CG-CE2 3.37Å; K331-Y373 HydrophobicContact CG-CG 4.38Å; L334-Y373 VanDerWaalsContact CD2-OH 3.22Å; L334-Y373 WeakPolarHBondContact CD2-OH 3.45Å; Q347-Y373 VanDerWaalsContact OE1-CE1 3.28Å; Q347-Y373 PolarHBondContact OE1-OH 2.63Å; F349-Y373 HydrophobicContact CZ-CD1 4.03Å; F349-Y373 AromaticContact CZ-CE1 3.87Å; F349-Y373 HydrophobicContact CZ-CE1 3.87Å; G369-Y373 PolarHBondContact O-N 3.39Å; I370-Y373 PolarHBondContact O-N 2.9Å; Y373-R375 PolarHBondContact O-N 2.9Å; Y373-V377 HydrophobicContact CD2-CB 3.53Å; Y373-V377 HydrophobicContact CD2-CG1 3.94Å; Y373-V377 HydrophobicContact CD2-CG2 3.79Å; Y373-V377 HydrophobicContact CE2-CB 3.68Å; Y373-V377 HydrophobicContact CE2-CG1 3.56Å; Y373-V377 HydrophobicContact CE2-CG2 4.28Å; Y373-V377 HydrophobicContact CG-CB 4.5Å; Y373-V377 WeakPolarHBondContact O-CA 3.31Å; Y373-V377 VanDerWaalsContact O-CB 3.29Å; Y373-V377 WeakPolarHBondContact O-CB 3.41Å; Y373-V377 PolarHBondContact O-N 3.24Å; Y373-L378 HydrophobicContact CD1-CD1 4.13Å; Y373-L378 HydrophobicContact CD1-CG 4.06Å; Y373-L378 HydrophobicContact CE1-CD1 3.73Å; Y373-L378 HydrophobicContact CE1-CD2 3.67Å; Y373-L378 HydrophobicContact CE1-CG 3.63Å; Y373-L378 HydrophobicContact CE2-CD2 4.18Å; Y373-L378 HydrophobicContact CE2-CG 4.44Å; Y373-L378 VanDerWaalsContact CZ-CD2 3.47Å; Y373-L378 PolarHBondContact O-N 2.86Å; Y373-L378 WeakPolarHBondContact OH-CD2 3.23Å
374	V	98.5	Very high	97.9	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.018	30%	0.301	C	S	.	.	I	π-helix	trans	-58.5	-50.9	177.8	166.5	0	0	0	0	110.8	F349 I370 L378 R379 T386 I458	F349-V374 HydrophobicContact CE2-CG2 4.45Å; I370-V374 HydrophobicContact CG1-CG2 4.2Å; I370-V374 WeakPolarHBondContact O-CB 3.42Å; I370-V374 VanDerWaalsContact O-CG2 3.24Å; I370-V374 WeakPolarHBondContact O-CG2 3.39Å; I370-V374 PolarHBondContact O-N 2.85Å; V374-L378 HydrophobicContact CG2-CD1 4.1Å; V374-L378 WeakPolarHBondContact O-CB 3.38Å; V374-R379 WeakPolarHBondContact O-CB 3.49Å; V374-R379 PolarHBondContact O-N 3.41Å; V374-T386 WeakPolarHBondContact CG1-OG1 3.18Å; V374-T386 HydrophobicContact CG2-CG2 3.92Å; V374-I458 HydrophobicContact CG1-CG2 4.5Å; V374-I458 HydrophobicContact CG2-CG2 4.04Å
375	R	97.7	Very high	98	Very high	116 Å²	116	54.9 Å²	54.9	44%	0.438	27%	0.27	S	S	.	.	I	π-helix	trans	-67.2	-50.7	-176.5	-175.3	-171.1	66.9	-137.6	-4.9	112.8	D371 V372 Y373 K380	D371-R375 WeakPolarHBondContact O-CB 3.43Å; D371-R375 PolarHBondContact O-N 3.25Å; V372-R375 PolarHBondContact O-N 3.49Å; Y373-R375 PolarHBondContact O-N 2.9Å; R375-K380 WeakPolarHBondContact O-CG 3.4Å; R375-K380 PolarHBondContact O-N 2.79Å
376	D	98	Very high	98	Very high	51 Å²	51	45.6 Å²	45.6	27%	0.273	23%	0.23	S	C	.	.	I	π-helix	trans	-97.6	-30.2	-165.6	-63.8	-27	0	0	0	113	V372 K380 K381	V372-D376 WeakPolarHBondContact O-CB 3.32Å; V372-D376 PolarHBondContact O-N 2.85Å; D376-K380 IonicContact OD1-NZ 3.89Å; D376-K380 PolarHBondContact OD1-NZ 2.96Å; D376-K381 PolarHBondContact O-N 2.92Å
377	V	98.1	Very high	98	Very high	45 Å²	45	41.9 Å²	41.9	27%	0.273	22%	0.216	S	C	.	.	I	π-helix	trans	-96.9	-59.4	-179.8	-173.2	0	0	0	0	111.1	Y373 K381 Y382	Y373-V377 HydrophobicContact CD2-CB 3.53Å; Y373-V377 HydrophobicContact CD2-CG1 3.94Å; Y373-V377 HydrophobicContact CD2-CG2 3.79Å; Y373-V377 HydrophobicContact CE2-CB 3.68Å; Y373-V377 HydrophobicContact CE2-CG1 3.56Å; Y373-V377 HydrophobicContact CE2-CG2 4.28Å; Y373-V377 HydrophobicContact CG-CB 4.5Å; Y373-V377 WeakPolarHBondContact O-CA 3.31Å; Y373-V377 VanDerWaalsContact O-CB 3.29Å; Y373-V377 WeakPolarHBondContact O-CB 3.41Å; Y373-V377 PolarHBondContact O-N 3.24Å; V377-K381 VanDerWaalsContact O-CB 3.32Å; V377-K381 WeakPolarHBondContact O-CB 3.43Å; V377-K381 PolarHBondContact O-N 2.98Å; V377-Y382 HydrophobicContact CG1-CD2 3.83Å; V377-Y382 HydrophobicContact CG1-CE2 3.58Å; V377-Y382 WeakPolarHBondContact O-CD2 3Å; V377-Y382 PolarHBondContact O-N 2.84Å; V377-Y382 VanDerWaalsContact O-N 3.14Å
378	L	98.2	Very high	98.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	I	π-helix	trans	-61.9	-60.7	-179.4	-60.9	-172.5	0	0	0	110.3	L334 Q347 F349 Y373 V374 Y382 S383 V384 T386	L334-L378 HydrophobicContact CD2-CD2 3.2Å; Q347-L378 HydrophobicContact CB-CD1 4.31Å; Q347-L378 HydrophobicContact CB-CD2 4.37Å; F349-L378 HydrophobicContact CE2-CD1 4.35Å; Y373-L378 HydrophobicContact CD1-CD1 4.13Å; Y373-L378 HydrophobicContact CD1-CG 4.06Å; Y373-L378 HydrophobicContact CE1-CD1 3.73Å; Y373-L378 HydrophobicContact CE1-CD2 3.67Å; Y373-L378 HydrophobicContact CE1-CG 3.63Å; Y373-L378 HydrophobicContact CE2-CD2 4.18Å; Y373-L378 HydrophobicContact CE2-CG 4.44Å; Y373-L378 VanDerWaalsContact CZ-CD2 3.47Å; Y373-L378 PolarHBondContact O-N 2.86Å; Y373-L378 WeakPolarHBondContact OH-CD2 3.23Å; V374-L378 HydrophobicContact CG2-CD1 4.1Å; V374-L378 WeakPolarHBondContact O-CB 3.38Å; L378-Y382 CarbonylContact O-C 3.51Å; L378-Y382 PolarHBondContact O-N 2.99Å; L378-S383 PolarHBondContact O-N 2.83Å; L378-V384 CarbonylContact C-O 3.5Å; L378-V384 HydrophobicContact CB-CB 4.24Å; L378-V384 HydrophobicContact CB-CG1 4.47Å; L378-V384 HydrophobicContact CD2-CB 4.3Å; L378-V384 HydrophobicContact CD2-CG1 4.09Å; L378-V384 PolarHBondContact O-N 2.86Å; L378-T386 VanDerWaalsContact CD1-OG1 3.26Å; L378-T386 WeakPolarHBondContact CD1-OG1 3.48Å
379	R	97	Very high	98.1	Very high	80 Å²	80	39.9 Å²	39.9	30%	0.302	20%	0.196	S	C	.	.	I	π-helix	trans	-75.2	-53.5	-170.4	-171.1	52.5	168.2	-116.9	9.6	113.7	V374 S383 R385 D461	V374-R379 WeakPolarHBondContact O-CB 3.49Å; V374-R379 PolarHBondContact O-N 3.41Å; R379-S383 WeakPolarHBondContact O-CA 3.31Å; R379-S383 PolarHBondContact O-N 2.9Å; R379-R385 VanDerWaalsContact NH1-NE 3.13Å; R379-R385 VanDerWaalsContact NH2-CZ 3.29Å; R379-D461 IonicContact CZ-OD1 3.34Å; R379-D461 IonicContact NH1-OD1 2.84Å; R379-D461 PolarHBondContact NH1-OD1 2.87Å; R379-D461 IonicContact NH1-OD2 3.95Å; R379-D461 PolarHBondContact NH1-OD2 3.41Å
380	K	97.2	Very high	98.2	Very high	142 Å²	142	38.2 Å²	38.2	62%	0.617	18%	0.179	S	C	*	.	I	π-helix	trans	-77.9	-40.7	-174	-75	177.7	-169.4	163	0	114.1	R375 D376	R375-K380 WeakPolarHBondContact O-CG 3.4Å; R375-K380 PolarHBondContact O-N 2.79Å; D376-K380 IonicContact OD1-NZ 3.89Å; D376-K380 PolarHBondContact OD1-NZ 2.96Å
381	K	97.6	Very high	98.2	Very high	138 Å²	138	38.1 Å²	38.1	60%	0.6	18%	0.178	S	C	*	.	I	π-helix	trans	-85.3	-46.1	-174.3	-174.4	-172.7	179.9	-167.7	0	112.2	D376 V377	D376-K381 PolarHBondContact O-N 2.92Å; V377-K381 VanDerWaalsContact O-CB 3.32Å; V377-K381 WeakPolarHBondContact O-CB 3.43Å; V377-K381 PolarHBondContact O-N 2.98Å
382	Y	97.7	Very high	98.2	Very high	39 Å²	39	35 Å²	35	15%	0.153	16%	0.161	C	C	.	.	I	π-helix	trans	-107.2	-7.1	-173.6	-60.8	-53.4	0	0	0	114.5	L334 V338 V377 L378 V384 T765	L334-Y382 HydrophobicContact CD2-CD2 3.86Å; L334-Y382 HydrophobicContact CD2-CE2 4.21Å; V338-Y382 HydrophobicContact CG1-CD1 3.96Å; V338-Y382 HydrophobicContact CG1-CE1 3.7Å; V338-Y382 HydrophobicContact CG2-CD1 4.49Å; V377-Y382 HydrophobicContact CG1-CD2 3.83Å; V377-Y382 HydrophobicContact CG1-CE2 3.58Å; V377-Y382 WeakPolarHBondContact O-CD2 3Å; V377-Y382 PolarHBondContact O-N 2.84Å; V377-Y382 VanDerWaalsContact O-N 3.14Å; L378-Y382 CarbonylContact O-C 3.51Å; L378-Y382 PolarHBondContact O-N 2.99Å; Y382-V384 PolarHBondContact O-N 3.16Å; Y382-T765 WeakPolarHBondContact O-CG2 3.35Å
383	S	97.4	Very high	98.2	Very high	30 Å²	30	32 Å²	32	21%	0.21	14%	0.144	C	C	.	.			trans	59	25	-172.6	-56.1	0	0	0	0	114	L378 R379 R385	L378-S383 PolarHBondContact O-N 2.83Å; R379-S383 WeakPolarHBondContact O-CA 3.31Å; R379-S383 PolarHBondContact O-N 2.9Å; S383-R385 PolarHBondContact O-NH1 2.77Å
384	V	98.5	Very high	98.2	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.012	14%	0.143	C	C	.	.			trans	-86.3	139.9	178.8	174.3	0	0	0	0	110	I344 Q347 L378 Y382 T765	I344-V384 HydrophobicContact CG2-CG1 4.43Å; I344-V384 HydrophobicContact CG2-CG2 4.49Å; Q347-V384 HydrophobicContact CB-CG1 4.13Å; L378-V384 CarbonylContact C-O 3.5Å; L378-V384 HydrophobicContact CB-CB 4.24Å; L378-V384 HydrophobicContact CB-CG1 4.47Å; L378-V384 HydrophobicContact CD2-CB 4.3Å; L378-V384 HydrophobicContact CD2-CG1 4.09Å; L378-V384 PolarHBondContact O-N 2.86Å; Y382-V384 PolarHBondContact O-N 3.16Å; V384-T765 HydrophobicContact CG2-CG2 4.4Å
385	R	98.5	Very high	98.2	Very high	14 Å²	14	31.8 Å²	31.8	5%	0.053	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	159.8	175.9	-56.5	-51.1	-172.4	-111.8	5.7	111.9	W313 D345 A346 Q347 R379 S383 D461 D767	W313-R385 HydrophobicContact CB-CG 4.32Å; W313-R385 HydrophobicContact CD2-CB 4.33Å; W313-R385 HydrophobicContact CD2-CG 3.71Å; W313-R385 HydrophobicContact CE3-CB 3.91Å; W313-R385 HydrophobicContact CE3-CG 3.7Å; W313-R385 HydrophobicContact CG-CG 3.98Å; W313-R385 HydrophobicContact CZ3-CB 4.02Å; W313-R385 HydrophobicContact CZ3-CG 4.3Å; D345-R385 WeakPolarHBondContact O-CB 3.01Å; D345-R385 WeakPolarHBondContact O-CG 3.49Å; D345-R385 PolarHBondContact O-N 2.99Å; A346-R385 VanDerWaalsContact CA-O 3.29Å; A346-R385 WeakPolarHBondContact CA-O 3.44Å; A346-R385 HydrophobicContact CB-CB 4.18Å; Q347-R385 PolarHBondContact N-O 2.95Å; R379-R385 VanDerWaalsContact NH1-NE 3.13Å; R379-R385 VanDerWaalsContact NH2-CZ 3.29Å; S383-R385 PolarHBondContact O-NH1 2.77Å; R385-D461 VanDerWaalsContact CA-OD2 3.25Å; R385-D461 WeakPolarHBondContact CA-OD2 3.49Å; R385-D461 HydrophobicContact CB-CB 4Å; R385-D461 WeakPolarHBondContact CB-OD2 3.38Å; R385-D461 WeakPolarHBondContact CD-OD2 2.9Å; R385-D461 HydrophobicContact CG-CB 4.48Å; R385-D767 IonicContact CZ-OD1 2.87Å; R385-D767 IonicContact CZ-OD2 2.92Å; R385-D767 IonicContact NH1-OD2 2.81Å; R385-D767 PolarHBondContact NH1-OD2 2.85Å; R385-D767 IonicContact NH2-OD1 3.5Å; R385-D767 PolarHBondContact NH2-OD1 2.9Å; R385-D767 IonicContact NH2-OD2 2.99Å; R385-D767 PolarHBondContact NH2-OD2 2.86Å
386	T	98.7	Very high	98.2	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.1	178.1	-52.7	0	0	0	0	111	Q347 F349 V374 L378 L388 D461 G462	Q347-T386 WeakPolarHBondContact O-CA 3.39Å; F349-T386 HydrophobicContact CD2-CG2 3.86Å; F349-T386 HydrophobicContact CE2-CG2 3.85Å; V374-T386 WeakPolarHBondContact CG1-OG1 3.18Å; V374-T386 HydrophobicContact CG2-CG2 3.92Å; L378-T386 VanDerWaalsContact CD1-OG1 3.26Å; L378-T386 WeakPolarHBondContact CD1-OG1 3.48Å; T386-L388 HydrophobicContact CG2-CD2 3.95Å; T386-L388 HydrophobicContact CG2-CG 4.49Å; T386-D461 PolarHBondContact N-OD2 3.39Å; T386-D461 PolarHBondContact O-N 3.08Å; T386-G462 PolarHBondContact O-N 3.28Å
387	V	98.9	Very high	97.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	135.5	171.8	180	0	0	0	0	108.8	W313 Q347 W348 F349 G462 W464 F546	W313-V387 HydrophobicContact CH2-CG2 3.94Å; W313-V387 HydrophobicContact CZ3-CG2 4.2Å; Q347-V387 PolarHBondContact O-N 2.89Å; W348-V387 VanDerWaalsContact CA-O 3.26Å; W348-V387 WeakPolarHBondContact CA-O 3.45Å; W348-V387 HydrophobicContact CD2-CB 3.6Å; W348-V387 HydrophobicContact CD2-CG1 3.76Å; W348-V387 HydrophobicContact CD2-CG2 4.29Å; W348-V387 HydrophobicContact CE3-CB 3.97Å; W348-V387 HydrophobicContact CE3-CG1 3.57Å; W348-V387 HydrophobicContact CG-CB 3.95Å; W348-V387 HydrophobicContact CH2-CB 4.41Å; W348-V387 HydrophobicContact CH2-CG1 3.8Å; W348-V387 HydrophobicContact CZ2-CB 4.09Å; W348-V387 HydrophobicContact CZ2-CG1 3.98Å; W348-V387 HydrophobicContact CZ2-CG2 3.98Å; W348-V387 HydrophobicContact CZ3-CB 4.38Å; W348-V387 HydrophobicContact CZ3-CG1 3.62Å; F349-V387 PolarHBondContact N-O 3.41Å; V387-G462 WeakPolarHBondContact CA-O 3.16Å; V387-W464 HydrophobicContact CG1-CB 4.09Å; V387-F546 HydrophobicContact CG1-CE1 4.45Å; V387-F546 HydrophobicContact CG2-CD1 4.05Å; V387-F546 HydrophobicContact CG2-CE1 4.1Å
388	L	98.8	Very high	96.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.5	-178.8	-57.4	-178.7	0	0	0	110.1	F349 Y353 T386 F454 I458 F460 G462 L463 W464	F349-L388 HydrophobicContact CB-CD2 3.84Å; F349-L388 HydrophobicContact CD2-CD2 3.8Å; F349-L388 HydrophobicContact CG-CD2 4.21Å; Y353-L388 HydrophobicContact CD1-CD2 4.39Å; Y353-L388 HydrophobicContact CE1-CB 4.11Å; Y353-L388 HydrophobicContact CE1-CD2 4.17Å; T386-L388 HydrophobicContact CG2-CD2 3.95Å; T386-L388 HydrophobicContact CG2-CG 4.49Å; L388-F454 HydrophobicContact CD1-CD1 4.38Å; L388-F454 HydrophobicContact CD1-CE1 3.82Å; L388-I458 HydrophobicContact CD1-CB 4.28Å; L388-I458 HydrophobicContact CD1-CD1 4.33Å; L388-I458 HydrophobicContact CD1-CG2 4.08Å; L388-F460 HydrophobicContact CD1-CB 3.81Å; L388-F460 HydrophobicContact CD1-CD1 3.84Å; L388-F460 HydrophobicContact CD1-CG 4.13Å; L388-F460 HydrophobicContact CG-CB 3.9Å; L388-G462 PolarHBondContact N-O 2.86Å; L388-L463 HydrophobicContact CB-CD2 4.5Å; L388-W464 PolarHBondContact O-N 3.34Å
389	I	98.9	Very high	95.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	143.7	165.6	-158.8	174.6	0	0	0	110.4	F349 I351 Y353 M354 W464 D466	F349-I389 PolarHBondContact O-N 3.26Å; I351-I389 HydrophobicContact CB-CG2 4.41Å; I351-I389 HydrophobicContact CG2-CD1 4.11Å; I351-I389 HydrophobicContact CG2-CG2 3.68Å; I351-I389 VanDerWaalsContact N-CG2 3.29Å; Y353-I389 HydrophobicContact CE1-CG2 4.22Å; Y353-I389 PolarHBondContact OH-O 3.41Å; Y353-I389 VanDerWaalsContact OH-O 3.07Å; M354-I389 HydrophobicContact CE-CG2 3.71Å; M354-I389 WeakPolarHBondContact CE-O 3.45Å; I389-W464 CarbonylContact C-O 3.52Å; I389-W464 VanDerWaalsContact CA-O 3.24Å; I389-W464 WeakPolarHBondContact CA-O 3.44Å; I389-W464 HydrophobicContact CB-CD2 3.94Å; I389-W464 HydrophobicContact CB-CE3 3.57Å; I389-W464 HydrophobicContact CB-CG 4.39Å; I389-W464 HydrophobicContact CB-CZ3 4.02Å; I389-W464 HydrophobicContact CD1-CD2 3.9Å; I389-W464 HydrophobicContact CD1-CE3 3.87Å; I389-W464 HydrophobicContact CD1-CH2 3.57Å; I389-W464 HydrophobicContact CD1-CZ2 3.61Å; I389-W464 HydrophobicContact CD1-CZ3 3.7Å; I389-W464 HydrophobicContact CG1-CD2 3.61Å; I389-W464 HydrophobicContact CG1-CE3 3.71Å; I389-W464 HydrophobicContact CG1-CG 4.02Å; I389-W464 HydrophobicContact CG1-CH2 4.34Å; I389-W464 HydrophobicContact CG1-CZ2 4.26Å; I389-W464 HydrophobicContact CG1-CZ3 4.08Å; I389-D466 HydrophobicContact CD1-CB 3.73Å; I389-D466 HydrophobicContact CG1-CB 3.91Å
390	I	98.7	Very high	95.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	115.7	172.3	-64	-66.1	0	0	0	108.4	Y353 M354 I359 W360 W447 L463 W464 I465 D466	Y353-I390 WeakPolarHBondContact OH-CD1 3.23Å; M354-I390 HydrophobicContact CE-CD1 4.34Å; I359-I390 HydrophobicContact CG2-CG2 4.46Å; W360-I390 HydrophobicContact CD2-CD1 4.18Å; W360-I390 HydrophobicContact CE3-CD1 3.81Å; W360-I390 HydrophobicContact CH2-CD1 4.11Å; W360-I390 HydrophobicContact CH2-CG1 4.01Å; W360-I390 HydrophobicContact CH2-CG2 4.25Å; W360-I390 HydrophobicContact CZ2-CD1 4.44Å; W360-I390 HydrophobicContact CZ2-CG1 4.46Å; W360-I390 HydrophobicContact CZ2-CG2 3.9Å; W360-I390 HydrophobicContact CZ3-CD1 3.77Å; W360-I390 HydrophobicContact CZ3-CG1 4.07Å; I390-W447 HydrophobicContact CG2-CH2 3.34Å; I390-W447 HydrophobicContact CG2-CZ2 3.54Å; I390-W447 HydrophobicContact CG2-CZ3 4.47Å; I390-L463 HydrophobicContact CG1-CD2 3.95Å; I390-W464 PolarHBondContact N-O 3.3Å; I390-I465 WeakPolarHBondContact O-CA 3.43Å; I390-D466 PolarHBondContact O-N 3.3Å
391	D	98.7	Very high	94.9	Very high	1 Å²	1	32 Å²	32	1%	0.005	19%	0.192	C	C	.	.			trans	-77.6	160.7	172.3	-58.7	-42.7	0	0	0	111.9	I359 M467	I359-D391 HydrophobicContact CG2-CB 4.15Å; I359-D391 WeakPolarHBondContact CG2-O 3.34Å; D391-M467 VanDerWaalsContact OD1-CG 3.23Å; D391-M467 WeakPolarHBondContact OD1-CG 3.46Å
392	P	98.6	Very high	94.8	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	17%	0.167	C	C	.	.	S	Bend	trans	-74.5	-37.6	170.8	27.8	-35.3	0	0	0	112.2	V394 P436 F438 D466 M467 N468 Y524 M528	P392-V394 PolarHBondContact O-N 3.36Å; P392-P436 WeakPolarHBondContact O-CD 3.49Å; P392-P436 WeakPolarHBondContact O-CG 3.35Å; P392-F438 HydrophobicContact CB-CE2 3.99Å; P392-F438 HydrophobicContact CB-CZ 4.44Å; P392-D466 WeakPolarHBondContact CD-O 3.2Å; P392-M467 WeakPolarHBondContact CG-O 3.1Å; P392-N468 HydrophobicContact CG-CB 4.24Å; P392-Y524 HydrophobicContact CB-CE1 3.72Å; P392-Y524 WeakPolarHBondContact CB-OH 3.47Å; P392-Y524 HydrophobicContact CG-CE1 3.98Å; P392-M528 HydrophobicContact CB-CE 4.06Å; P392-M528 HydrophobicContact CB-SD 3.92Å; P392-M528 HydrophobicContact CG-SD 4.36Å
393	A	98.5	Very high	94.7	Very high	3 Å²	3	31.2 Å²	31.2	3%	0.025	19%	0.185	C	C	.	.			trans	-70	129.5	-167.3	0	0	0	0	0	111.8	V428 T433 F435	A393-V428 HydrophobicContact CB-CB 4.01Å; A393-V428 HydrophobicContact CB-CG1 4.47Å; A393-V428 HydrophobicContact CB-CG2 3.61Å; A393-T433 HydrophobicContact CB-CG2 3.85Å; A393-F435 HydrophobicContact CB-CD1 4.33Å; A393-F435 HydrophobicContact CB-CE1 4.1Å
394	V	98.6	Very high	94.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.4	-175.2	-172.3	0	0	0	0	110	I359 P392 T396 Y402 P404 Y405 F414 T433 V434 P436 W446	I359-V394 HydrophobicContact CD1-CG2 3.84Å; P392-V394 PolarHBondContact O-N 3.36Å; V394-T396 PolarHBondContact O-N 3.17Å; V394-Y402 HydrophobicContact CG1-CE1 3.78Å; V394-P404 HydrophobicContact CG1-CB 4.06Å; V394-Y405 HydrophobicContact CG1-CD2 4.44Å; V394-F414 HydrophobicContact CB-CE1 4.12Å; V394-F414 HydrophobicContact CB-CZ 4.36Å; V394-F414 HydrophobicContact CG1-CZ 4.46Å; V394-F414 HydrophobicContact CG2-CE1 3.88Å; V394-F414 HydrophobicContact CG2-CZ 4.43Å; V394-T433 CarbonylContact O-C 3.51Å; V394-T433 VanDerWaalsContact O-CA 3.24Å; V394-T433 WeakPolarHBondContact O-CA 3.48Å; V394-V434 HydrophobicContact CB-CG2 4.05Å; V394-V434 PolarHBondContact N-O 2.79Å; V394-V434 WeakPolarHBondContact O-CG2 3.37Å; V394-V434 PolarHBondContact O-N 3Å; V394-P436 HydrophobicContact CG2-CG 3.82Å; V394-W446 HydrophobicContact CG2-CH2 3.92Å; V394-W446 HydrophobicContact CG2-CZ2 3.99Å
395	S	98.3	Very high	94.6	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.028	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	134	177.2	-172.4	0	0	0	0	112.7	K397 Y402 E432	S395-K397 VanDerWaalsContact C-N 3.31Å; S395-K397 PolarHBondContact OG-N 2.89Å; S395-Y402 WeakPolarHBondContact O-CE1 3.29Å; S395-E432 WeakPolarHBondContact CA-O 3.5Å
396	T	96.7	Very high	94.6	Very high	23 Å²	23	35.6 Å²	35.6	14%	0.141	20%	0.202	C	C	.	.	S	Bend	trans	-81.4	-13.6	170.3	65.8	0	0	0	0	112.5	V394 Y405 L425 E432 V434	V394-T396 PolarHBondContact O-N 3.17Å; T396-Y405 HydrophobicContact CG2-CE2 3.92Å; T396-L425 HydrophobicContact CG2-CD2 3.85Å; T396-E432 WeakPolarHBondContact CB-OE1 3.46Å; T396-E432 HydrophobicContact CG2-CG 4.1Å; T396-E432 PolarHBondContact N-O 3.45Å; T396-E432 VanDerWaalsContact OG1-CD 3.3Å; T396-E432 VanDerWaalsContact OG1-CG 3.32Å; T396-E432 WeakPolarHBondContact OG1-CG 3.46Å; T396-E432 PolarHBondContact OG1-O 3.05Å; T396-E432 PolarHBondContact OG1-OE1 3.49Å; T396-V434 HydrophobicContact CG2-CG1 3.9Å
397	K	88.6	Confident	94.5	Very high	144 Å²	144	36.7 Å²	36.7	63%	0.626	21%	0.208	S	C	*	.			trans	-102.8	26.1	-172	-64.1	-177.5	-179	170.8	0	113.7	S395 G399	S395-K397 VanDerWaalsContact C-N 3.31Å; S395-K397 PolarHBondContact OG-N 2.89Å; K397-G399 VanDerWaalsContact C-N 3.27Å; K397-G399 PolarHBondContact O-N 2.81Å
398	G	77.5	Confident	94.4	Very high	20 Å²	20	36.7 Å²	36.7	21%	0.206	21%	0.208	C	C	.	.			trans	-70.3	-15.8	-178.7	0	0	0	0	0	115.7
399	G	80	Confident	94.3	Very high	54 Å²	54	40.4 Å²	40.4	56%	0.557	23%	0.226	S	C	*	.			trans	74.9	178.1	-171.8	0	0	0	0	0	112.9	K397 G401 Y402	K397-G399 VanDerWaalsContact C-N 3.27Å; K397-G399 PolarHBondContact O-N 2.81Å; G399-G401 PolarHBondContact O-N 3.37Å; G399-Y402 PolarHBondContact O-N 2.8Å
400	T	84.2	Confident	94.2	Very high	148 Å²	148	48.5 Å²	48.5	91%	0.908	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	128	178.2	-52.3	0	0	0	0	110.7
401	G	89.1	Confident	94.1	Very high	48 Å²	48	52.6 Å²	52.6	50%	0.495	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	1	179.3	0	0	0	0	0	115.1	G399 R403 E406	G399-G401 PolarHBondContact O-N 3.37Å; G401-R403 VanDerWaalsContact C-N 3.29Å; G401-R403 PolarHBondContact O-N 3.45Å; G401-E406 PolarHBondContact N-OE1 2.87Å
402	Y	96.2	Very high	94	Very high	19 Å²	19	54.7 Å²	54.7	8%	0.075	30%	0.297	C	S	.	.			trans	-75.3	83.8	171.4	-176.6	-125.3	0	0	0	110.8	K358 I359 V394 S395 G399 P404 Y405 E406	K358-Y402 HydrophobicContact CB-CE2 3.93Å; K358-Y402 HydrophobicContact CD-CD2 4.49Å; K358-Y402 HydrophobicContact CD-CE2 4.36Å; I359-Y402 WeakPolarHBondContact CG1-OH 3.26Å; I359-Y402 PolarHBondContact O-OH 2.77Å; V394-Y402 HydrophobicContact CG1-CE1 3.78Å; S395-Y402 WeakPolarHBondContact O-CE1 3.29Å; G399-Y402 PolarHBondContact O-N 2.8Å; Y402-P404 VanDerWaalsContact C-CD 3.47Å; Y402-P404 HydrophobicContact CD2-CG 4.26Å; Y402-P404 HydrophobicContact CE1-CB 4.3Å; Y402-P404 HydrophobicContact CE2-CB 4.18Å; Y402-P404 HydrophobicContact CE2-CG 3.7Å; Y402-Y405 PolarHBondContact O-N 2.77Å; Y402-E406 PolarHBondContact O-N 3.24Å; Y402-E406 VanDerWaalsContact O-N 3.12Å
403	R	96	Very high	94	Very high	142 Å²	142	54.7 Å²	54.7	54%	0.536	30%	0.297	S	S	.	.	H	α-helix	trans	-54.9	-40.3	-171.9	-70.4	-167	174.2	-178.2	-3.4	115.9	G401 Y405 E406 D407 D453	G401-R403 VanDerWaalsContact C-N 3.29Å; G401-R403 PolarHBondContact O-N 3.45Å; R403-Y405 PolarHBondContact O-N 2.97Å; R403-E406 PolarHBondContact O-N 2.83Å; R403-D407 VanDerWaalsContact O-CB 3.29Å; R403-D407 WeakPolarHBondContact O-CB 3.37Å; R403-D407 PolarHBondContact O-N 3.45Å; R403-D453 IonicContact NH1-OD2 2.76Å
404	P	96.7	Very high	94	Very high	10 Å²	10	54.8 Å²	54.8	7%	0.065	30%	0.297	C	S	.	.	H	α-helix	trans	-52.6	-42.7	177.9	-29.2	36.7	0	0	0	112.4	I359 W360 V394 Y402 G408 W446	I359-P404 HydrophobicContact CG1-CB 4.47Å; W360-P404 HydrophobicContact CB-CG 4.07Å; W360-P404 HydrophobicContact CG-CG 4.28Å; V394-P404 HydrophobicContact CG1-CB 4.06Å; Y402-P404 VanDerWaalsContact C-CD 3.47Å; Y402-P404 HydrophobicContact CD2-CG 4.26Å; Y402-P404 HydrophobicContact CE1-CB 4.3Å; Y402-P404 HydrophobicContact CE2-CB 4.18Å; Y402-P404 HydrophobicContact CE2-CG 3.7Å; P404-G408 PolarHBondContact O-N 2.92Å; P404-W446 HydrophobicContact CB-CZ2 4.36Å; P404-W446 PolarHBondContact O-NE1 3.28Å
405	Y	97.7	Very high	94	Very high	62 Å²	62	54.8 Å²	54.8	24%	0.243	30%	0.297	C	S	.	.	H	α-helix	trans	-74.9	-51.9	175.9	-178.7	-108.8	0	0	0	112.5	V394 T396 Y402 R403 D407 G408 M409 F414 V434	V394-Y405 HydrophobicContact CG1-CD2 4.44Å; T396-Y405 HydrophobicContact CG2-CE2 3.92Å; Y402-Y405 PolarHBondContact O-N 2.77Å; R403-Y405 PolarHBondContact O-N 2.97Å; Y405-D407 PolarHBondContact O-N 3.45Å; Y405-G408 PolarHBondContact O-N 2.72Å; Y405-M409 HydrophobicContact CD1-CG 4.33Å; Y405-M409 HydrophobicContact CD2-CG 4.23Å; Y405-M409 HydrophobicContact CE1-CG 3.93Å; Y405-M409 HydrophobicContact CE2-CG 3.81Å; Y405-M409 HydrophobicContact CE2-SD 3.96Å; Y405-M409 HydrophobicContact CG-CG 4.47Å; Y405-M409 WeakPolarHBondContact O-CB 3.49Å; Y405-M409 WeakPolarHBondContact O-CG 3.46Å; Y405-M409 PolarHBondContact O-N 3.24Å; Y405-F414 HydrophobicContact CD2-CE2 4.13Å; Y405-F414 HydrophobicContact CD2-CZ 4.25Å; Y405-F414 HydrophobicContact CE2-CE2 4.34Å; Y405-V434 HydrophobicContact CD2-CG2 3.84Å; Y405-V434 HydrophobicContact CE2-CG1 4.35Å; Y405-V434 HydrophobicContact CE2-CG2 3.85Å
406	E	96.7	Very high	94	Very high	66 Å²	66	56.8 Å²	56.8	31%	0.308	31%	0.307	S	S	.	.	H	α-helix	trans	-62.1	-43.2	-174.9	-68.3	179.8	168	0	0	113	G401 Y402 R403 R410	G401-E406 PolarHBondContact N-OE1 2.87Å; Y402-E406 PolarHBondContact O-N 3.24Å; Y402-E406 VanDerWaalsContact O-N 3.12Å; R403-E406 PolarHBondContact O-N 2.83Å; E406-R410 WeakPolarHBondContact O-CB 3.49Å; E406-R410 PolarHBondContact O-N 2.94Å
407	D	96.6	Very high	94.1	Very high	24 Å²	24	56.1 Å²	56.1	13%	0.128	30%	0.303	C	S	.	.	H	α-helix	trans	-73.3	-35.6	177.8	-68.2	-28.4	0	0	0	110.7	R403 Y405 R410 H411	R403-D407 VanDerWaalsContact O-CB 3.29Å; R403-D407 WeakPolarHBondContact O-CB 3.37Å; R403-D407 PolarHBondContact O-N 3.45Å; Y405-D407 PolarHBondContact O-N 3.45Å; D407-R410 PolarHBondContact O-N 3Å; D407-R410 IonicContact OD1-CZ 3.18Å; D407-R410 IonicContact OD1-NH1 3.51Å; D407-R410 PolarHBondContact OD1-NH1 2.84Å; D407-R410 IonicContact OD1-NH2 3.67Å; D407-R410 PolarHBondContact OD1-NH2 3.09Å; D407-H411 PolarHBondContact O-N 3.02Å; D407-H411 PolarHBondContact O-ND1 3.4Å
408	G	97.5	Very high	94.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-44.7	174.1	0	0	0	0	0	112.2	P404 Y405 R410 H411 G412 I413 F414	P404-G408 PolarHBondContact O-N 2.92Å; Y405-G408 PolarHBondContact O-N 2.72Å; G408-R410 VanDerWaalsContact C-N 3.33Å; G408-R410 PolarHBondContact O-N 3.06Å; G408-H411 PolarHBondContact O-N 2.61Å; G408-G412 PolarHBondContact O-N 3.07Å; G408-I413 PolarHBondContact O-N 2.85Å; G408-F414 VanDerWaalsContact C-CE2 3.44Å
409	M	96.8	Very high	95.4	Very high	79 Å²	79	55.3 Å²	55.3	39%	0.389	30%	0.296	S	S	.	.	H	α-helix	trans	-60.5	-42.3	173.8	-74.4	-58	-67	0	0	111.5	Y405 H411 G412 F414 P423	Y405-M409 HydrophobicContact CD1-CG 4.33Å; Y405-M409 HydrophobicContact CD2-CG 4.23Å; Y405-M409 HydrophobicContact CE1-CG 3.93Å; Y405-M409 HydrophobicContact CE2-CG 3.81Å; Y405-M409 HydrophobicContact CE2-SD 3.96Å; Y405-M409 HydrophobicContact CG-CG 4.47Å; Y405-M409 WeakPolarHBondContact O-CB 3.49Å; Y405-M409 WeakPolarHBondContact O-CG 3.46Å; Y405-M409 PolarHBondContact O-N 3.24Å; M409-H411 VanDerWaalsContact C-N 3.33Å; M409-H411 PolarHBondContact O-N 3.11Å; M409-G412 PolarHBondContact O-N 2.99Å; M409-F414 HydrophobicContact CB-CE2 4.48Å; M409-F414 HydrophobicContact CG-CD2 4.35Å; M409-F414 HydrophobicContact CG-CE2 3.86Å; M409-F414 VanDerWaalsContact N-CE2 3.32Å; M409-F414 HydrophobicContact SD-CD2 3.68Å; M409-F414 HydrophobicContact SD-CE2 3.79Å; M409-P423 HydrophobicContact CE-CG 4.18Å; M409-P423 HydrophobicContact SD-CG 3.82Å
410	R	96.2	Very high	96.2	Very high	170 Å²	170	56.7 Å²	56.7	64%	0.642	29%	0.294	S	S	*	.	H	α-helix	trans	-63.6	-37.7	179.7	-167.9	-174.1	-54.9	131.5	16.3	112.5	E406 D407 G408	E406-R410 WeakPolarHBondContact O-CB 3.49Å; E406-R410 PolarHBondContact O-N 2.94Å; D407-R410 PolarHBondContact O-N 3Å; D407-R410 IonicContact OD1-CZ 3.18Å; D407-R410 IonicContact OD1-NH1 3.51Å; D407-R410 PolarHBondContact OD1-NH1 2.84Å; D407-R410 IonicContact OD1-NH2 3.67Å; D407-R410 PolarHBondContact OD1-NH2 3.09Å; G408-R410 VanDerWaalsContact C-N 3.33Å; G408-R410 PolarHBondContact O-N 3.06Å
411	H	96.3	Very high	96.7	Very high	87 Å²	87	52 Å²	52	40%	0.403	27%	0.274	S	S	.	.	H	α-helix	trans	-85.9	-9.7	178.5	-65.6	92.7	0	0	0	113.2	D407 G408 M409 I413	D407-H411 PolarHBondContact O-N 3.02Å; D407-H411 PolarHBondContact O-ND1 3.4Å; G408-H411 PolarHBondContact O-N 2.61Å; M409-H411 VanDerWaalsContact C-N 3.33Å; M409-H411 PolarHBondContact O-N 3.11Å; H411-I413 VanDerWaalsContact C-N 3.32Å; H411-I413 HydrophobicContact CB-CG2 3.63Å; H411-I413 PolarHBondContact O-N 3.26Å
412	G	97	Very high	97.1	Very high	44 Å²	44	53.3 Å²	53.3	45%	0.454	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	30.7	-178.7	0	0	0	0	0	113.6	G408 M409 F414	G408-G412 PolarHBondContact O-N 3.07Å; M409-G412 PolarHBondContact O-N 2.99Å; G412-F414 PolarHBondContact O-N 3.25Å
413	I	98	Very high	97.2	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	28%	0.278	C	S	.	.			trans	-87	1.6	-171.3	61.7	90	0	0	0	114.4	G408 H411 P436 D437 W446	G408-I413 PolarHBondContact O-N 2.85Å; H411-I413 VanDerWaalsContact C-N 3.32Å; H411-I413 HydrophobicContact CB-CG2 3.63Å; H411-I413 PolarHBondContact O-N 3.26Å; I413-P436 HydrophobicContact CD1-CB 3.95Å; I413-D437 WeakPolarHBondContact O-CB 3.44Å; I413-D437 PolarHBondContact O-N 3.41Å; I413-W446 HydrophobicContact CD1-CD2 3.9Å; I413-W446 HydrophobicContact CD1-CE3 3.88Å; I413-W446 HydrophobicContact CD1-CG 4.45Å; I413-W446 HydrophobicContact CD1-CH2 4.36Å; I413-W446 HydrophobicContact CD1-CZ2 4.39Å; I413-W446 HydrophobicContact CD1-CZ3 4.09Å; I413-W446 HydrophobicContact CG1-CD2 4.36Å; I413-W446 HydrophobicContact CG1-CG 4.4Å
414	F	98.7	Very high	97.4	Very high	5 Å²	5	47 Å²	47	2%	0.022	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-87	147.4	179.8	-60.5	-56.5	0	0	0	111.3	V394 Y405 G408 M409 G412 N416 P423 V434 F435 P436	V394-F414 HydrophobicContact CB-CE1 4.12Å; V394-F414 HydrophobicContact CB-CZ 4.36Å; V394-F414 HydrophobicContact CG1-CZ 4.46Å; V394-F414 HydrophobicContact CG2-CE1 3.88Å; V394-F414 HydrophobicContact CG2-CZ 4.43Å; Y405-F414 HydrophobicContact CD2-CE2 4.13Å; Y405-F414 HydrophobicContact CD2-CZ 4.25Å; Y405-F414 HydrophobicContact CE2-CE2 4.34Å; G408-F414 VanDerWaalsContact C-CE2 3.44Å; M409-F414 HydrophobicContact CB-CE2 4.48Å; M409-F414 HydrophobicContact CG-CD2 4.35Å; M409-F414 HydrophobicContact CG-CE2 3.86Å; M409-F414 VanDerWaalsContact N-CE2 3.32Å; M409-F414 HydrophobicContact SD-CD2 3.68Å; M409-F414 HydrophobicContact SD-CE2 3.79Å; G412-F414 PolarHBondContact O-N 3.25Å; F414-N416 PolarHBondContact O-N 2.75Å; F414-P423 HydrophobicContact CB-CB 3.87Å; F414-P423 HydrophobicContact CB-CG 4.02Å; F414-P423 HydrophobicContact CD2-CB 4.49Å; F414-P423 HydrophobicContact CD2-CG 4.24Å; F414-V434 HydrophobicContact CB-CB 4.36Å; F414-V434 HydrophobicContact CD1-CB 4.01Å; F414-V434 HydrophobicContact CD1-CG2 3.59Å; F414-V434 HydrophobicContact CD2-CB 4.31Å; F414-V434 HydrophobicContact CD2-CG2 3.83Å; F414-V434 HydrophobicContact CE1-CB 4.41Å; F414-V434 HydrophobicContact CE1-CG2 3.5Å; F414-V434 HydrophobicContact CE2-CG2 3.72Å; F414-V434 HydrophobicContact CG-CB 3.97Å; F414-V434 HydrophobicContact CG-CG2 3.77Å; F414-V434 HydrophobicContact CZ-CG2 3.57Å; F414-F435 CarbonylContact C-O 3.29Å; F414-F435 WeakPolarHBondContact CA-O 3.46Å; F414-P436 HydrophobicContact CD1-CG 4.39Å; F414-P436 HydrophobicContact CE1-CG 4.22Å
415	I	98.9	Very high	97.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-62.2	131	171.7	-60.7	171.9	0	0	0	108.4	P423 I424 F435 D437 I506 A510 H512 Y524	I415-P423 CarbonylContact O-C 3.49Å; I415-P423 WeakPolarHBondContact O-CA 3.43Å; I415-I424 HydrophobicContact CB-CG2 4.23Å; I415-I424 HydrophobicContact CG2-CG2 4.15Å; I415-I424 WeakPolarHBondContact O-CG2 3.39Å; I415-I424 PolarHBondContact O-N 3.31Å; I415-F435 HydrophobicContact CD1-CB 4.07Å; I415-F435 PolarHBondContact N-O 3.11Å; I415-D437 HydrophobicContact CG1-CB 3.81Å; I415-I506 HydrophobicContact CB-CD1 4.42Å; I415-I506 HydrophobicContact CD1-CD1 3.64Å; I415-I506 HydrophobicContact CG2-CD1 3.94Å; I415-A510 HydrophobicContact CG2-CB 3.67Å; I415-H512 WeakPolarHBondContact CD1-CE1 3.48Å; I415-Y524 HydrophobicContact CD1-CD2 4.28Å; I415-Y524 HydrophobicContact CD1-CE2 3.76Å
416	N	98.6	Very high	97.5	Very high	47 Å²	47	46.6 Å²	46.6	25%	0.251	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-99	145.8	-175.7	-68.3	-45	0	0	0	112.4	F414 T422 P423 A510 L511	F414-N416 PolarHBondContact O-N 2.75Å; N416-T422 CarbonylContact C-O 3.6Å; N416-T422 VanDerWaalsContact CA-O 3.3Å; N416-T422 WeakPolarHBondContact CA-O 3.28Å; N416-P423 WeakPolarHBondContact OD1-CA 3.22Å; N416-P423 WeakPolarHBondContact OD1-CD 3.31Å; N416-P423 VanDerWaalsContact OD1-N 3.08Å; N416-A510 CarbonylContact O-C 3.55Å; N416-A510 WeakPolarHBondContact O-CA 3.41Å; N416-L511 HydrophobicContact CB-CB 4.32Å; N416-L511 PolarHBondContact N-O 3.44Å; N416-L511 PolarHBondContact O-N 2.82Å
417	D	98.2	Very high	97.6	Very high	9 Å²	9	45 Å²	45	5%	0.048	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-70.1	127.7	169.2	-171.4	-58.2	0	0	0	110.1	R419 T420 G421 T422 I424	D417-R419 PolarHBondContact O-N 2.89Å; D417-R419 VanDerWaalsContact O-N 3.15Å; D417-R419 WeakPolarHBondContact OD1-CB 3.4Å; D417-R419 WeakPolarHBondContact OD1-CG 3.35Å; D417-R419 IonicContact OD1-CZ 2.89Å; D417-R419 PolarHBondContact OD1-N 3Å; D417-R419 IonicContact OD1-NE 3.44Å; D417-R419 PolarHBondContact OD1-NE 2.83Å; D417-R419 IonicContact OD1-NH2 2.77Å; D417-R419 IonicContact OD2-CZ 3.54Å; D417-R419 IonicContact OD2-NE 3.24Å; D417-R419 PolarHBondContact OD2-NE 2.94Å; D417-R419 IonicContact OD2-NH2 3.45Å; D417-R419 PolarHBondContact OD2-NH2 2.8Å; D417-T420 PolarHBondContact O-N 2.79Å; D417-G421 PolarHBondContact O-N 3.46Å; D417-T422 PolarHBondContact N-O 3.42Å; D417-I424 HydrophobicContact CB-CB 4.21Å; D417-I424 HydrophobicContact CB-CG1 4.31Å
418	S	97.2	Very high	97.6	Very high	42 Å²	42	44 Å²	44	29%	0.294	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.6	-177.2	59.8	0	0	0	0	114.4	S509	S418-S509 WeakPolarHBondContact CB-O 3.41Å; S418-S509 PolarHBondContact OG-OG 3.38Å
419	R	96.6	Very high	97.6	Very high	104 Å²	104	48 Å²	48	39%	0.392	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-32.2	179.9	-57.1	169	-71.2	-179.3	-0.4	112.3	D417 S477 S479 G480 P482	D417-R419 PolarHBondContact O-N 2.89Å; D417-R419 VanDerWaalsContact O-N 3.15Å; D417-R419 WeakPolarHBondContact OD1-CB 3.4Å; D417-R419 WeakPolarHBondContact OD1-CG 3.35Å; D417-R419 IonicContact OD1-CZ 2.89Å; D417-R419 PolarHBondContact OD1-N 3Å; D417-R419 IonicContact OD1-NE 3.44Å; D417-R419 PolarHBondContact OD1-NE 2.83Å; D417-R419 IonicContact OD1-NH2 2.77Å; D417-R419 IonicContact OD2-CZ 3.54Å; D417-R419 IonicContact OD2-NE 3.24Å; D417-R419 PolarHBondContact OD2-NE 2.94Å; D417-R419 IonicContact OD2-NH2 3.45Å; D417-R419 PolarHBondContact OD2-NH2 2.8Å; R419-S477 PolarHBondContact NH2-OG 3.44Å; R419-S479 PolarHBondContact NH1-O 3.46Å; R419-S479 PolarHBondContact NH2-OG 3.17Å; R419-G480 PolarHBondContact NH1-O 3.05Å; R419-G480 PolarHBondContact NH2-O 3.2Å; R419-P482 HydrophobicContact CG-CB 4.31Å; R419-P482 HydrophobicContact CG-CG 3.85Å
420	T	96.4	Very high	97.7	Very high	84 Å²	84	45.2 Å²	45.2	52%	0.515	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-23.4	-170.1	69.7	0	0	0	0	113.5	D417 T422	D417-T420 PolarHBondContact O-N 2.79Å; T420-T422 PolarHBondContact O-N 3.19Å; T420-T422 PolarHBondContact OG1-N 3.02Å; T420-T422 VanDerWaalsContact OG1-N 3.15Å; T420-T422 PolarHBondContact OG1-OG1 3.47Å
421	G	96.1	Very high	97.7	Very high	48 Å²	48	38.4 Å²	38.4	50%	0.495	23%	0.229	S	C	.	.	S	Bend	trans	68.9	14.5	-170.7	0	0	0	0	0	113.8	D417	D417-G421 PolarHBondContact O-N 3.46Å
422	T	97.2	Very high	97.8	Very high	76 Å²	76	36.8 Å²	36.8	47%	0.466	22%	0.222	S	C	.	.	S	Bend	trans	-114.9	163	177.5	67.2	0	0	0	0	110.3	N416 D417 T420 I424	N416-T422 CarbonylContact C-O 3.6Å; N416-T422 VanDerWaalsContact CA-O 3.3Å; N416-T422 WeakPolarHBondContact CA-O 3.28Å; D417-T422 PolarHBondContact N-O 3.42Å; T420-T422 PolarHBondContact O-N 3.19Å; T420-T422 PolarHBondContact OG1-N 3.02Å; T420-T422 VanDerWaalsContact OG1-N 3.15Å; T420-T422 PolarHBondContact OG1-OG1 3.47Å; T422-I424 PolarHBondContact O-N 2.98Å
423	P	98.5	Very high	97.9	Very high	28 Å²	28	34.7 Å²	34.7	18%	0.182	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-51.7	130.7	-176	-31.9	38.2	0	0	0	112.9	M409 F414 I415 N416 L425 V434	M409-P423 HydrophobicContact CE-CG 4.18Å; M409-P423 HydrophobicContact SD-CG 3.82Å; F414-P423 HydrophobicContact CB-CB 3.87Å; F414-P423 HydrophobicContact CB-CG 4.02Å; F414-P423 HydrophobicContact CD2-CB 4.49Å; F414-P423 HydrophobicContact CD2-CG 4.24Å; I415-P423 CarbonylContact O-C 3.49Å; I415-P423 WeakPolarHBondContact O-CA 3.43Å; N416-P423 WeakPolarHBondContact OD1-CA 3.22Å; N416-P423 WeakPolarHBondContact OD1-CD 3.31Å; N416-P423 VanDerWaalsContact OD1-N 3.08Å; P423-L425 PolarHBondContact O-N 3.04Å; P423-V434 HydrophobicContact CB-CB 4.28Å; P423-V434 HydrophobicContact CB-CG1 3.6Å
424	I	98.6	Very high	97.9	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-67.1	132.6	177	-165.9	166	0	0	0	109.5	I415 D417 T422 F435 I506 C507 A510	I415-I424 HydrophobicContact CB-CG2 4.23Å; I415-I424 HydrophobicContact CG2-CG2 4.15Å; I415-I424 WeakPolarHBondContact O-CG2 3.39Å; I415-I424 PolarHBondContact O-N 3.31Å; D417-I424 HydrophobicContact CB-CB 4.21Å; D417-I424 HydrophobicContact CB-CG1 4.31Å; T422-I424 PolarHBondContact O-N 2.98Å; I424-F435 HydrophobicContact CG2-CD2 4.07Å; I424-I506 HydrophobicContact CD1-CB 4.23Å; I424-I506 HydrophobicContact CG2-CD1 4.41Å; I424-C507 HydrophobicContact CD1-CB 4.05Å; I424-A510 HydrophobicContact CD1-CB 3.86Å
425	L	98.5	Very high	97.9	Very high	63 Å²	63	34.4 Å²	34.4	33%	0.33	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-100.1	123.4	-179.5	-60.4	175.8	0	0	0	110.1	T396 P423 E432 T433 V434 S477 L478	T396-L425 HydrophobicContact CG2-CD2 3.85Å; P423-L425 PolarHBondContact O-N 3.04Å; L425-E432 HydrophobicContact CD2-CG 4.28Å; L425-T433 WeakPolarHBondContact CA-O 3.17Å; L425-V434 HydrophobicContact CD2-CG1 3.75Å; L425-S477 CarbonylContact O-C 3.51Å; L425-S477 VanDerWaalsContact O-CA 3.26Å; L425-S477 WeakPolarHBondContact O-CA 3.37Å; L425-S477 VanDerWaalsContact O-CB 3.32Å; L425-S477 WeakPolarHBondContact O-CB 3.35Å; L425-L478 HydrophobicContact CB-CB 4.38Å; L425-L478 HydrophobicContact CB-CD1 3.92Å; L425-L478 HydrophobicContact CB-CG 4.14Å; L425-L478 PolarHBondContact O-N 3.02Å
426	G	98.4	Very high	97.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	-165.9	170.6	0	0	0	0	0	111.7	E432 T433 N472	G426-E432 WeakPolarHBondContact O-CA 3.29Å; G426-T433 PolarHBondContact N-O 2.79Å; G426-T433 PolarHBondContact O-N 3.34Å; G426-N472 WeakPolarHBondContact CA-OD1 3.46Å
427	T	98.5	Very high	97.9	Very high	32 Å²	32	32.4 Å²	32.4	20%	0.196	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.6	172.7	-56.6	0	0	0	0	109.9	G431 N472 F473 N474 L478	T427-G431 VanDerWaalsContact CA-O 3.28Å; T427-G431 WeakPolarHBondContact CA-O 3.35Å; T427-N472 PolarHBondContact N-OD1 3.25Å; T427-N472 PolarHBondContact O-OD1 2.79Å; T427-N472 VanDerWaalsContact O-OD1 3.14Å; T427-F473 HydrophobicContact CG2-CB 4.39Å; T427-F473 HydrophobicContact CG2-CD2 4.09Å; T427-F473 WeakPolarHBondContact O-CB 3.48Å; T427-F473 WeakPolarHBondContact O-CG 3.48Å; T427-F473 PolarHBondContact O-N 2.8Å; T427-N474 WeakPolarHBondContact CB-OD1 3.38Å; T427-N474 PolarHBondContact OG1-OD1 3.45Å; T427-L478 WeakPolarHBondContact OG1-CD2 3.32Å
428	V	98.2	Very high	98	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.018	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	-160	168.6	-167.5	0	0	0	0	107.3	A393 G431 T433 F435 F473	A393-V428 HydrophobicContact CB-CB 4.01Å; A393-V428 HydrophobicContact CB-CG1 4.47Å; A393-V428 HydrophobicContact CB-CG2 3.61Å; V428-G431 PolarHBondContact N-O 2.9Å; V428-G431 PolarHBondContact O-N 3.41Å; V428-T433 HydrophobicContact CB-CG2 4.26Å; V428-F435 HydrophobicContact CG2-CE1 4.21Å; V428-F435 HydrophobicContact CG2-CZ 4.17Å; V428-F473 HydrophobicContact CG1-CE1 4.42Å; V428-F473 HydrophobicContact CG1-CZ 4.19Å
429	W	97.9	Very high	98	Very high	85 Å²	85	31.7 Å²	31.7	32%	0.322	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-46.8	-176.8	-58.7	120.8	0	0	0	115.8	I351 Y357 G431 F473	I351-W429 HydrophobicContact CD1-CB 4.11Å; I351-W429 HydrophobicContact CD1-CD2 3.54Å; I351-W429 HydrophobicContact CD1-CE3 3.92Å; I351-W429 HydrophobicContact CD1-CG 3.63Å; Y357-W429 WeakPolarHBondContact CD2-O 3.42Å; Y357-W429 HydrophobicContact CG-CB 4.08Å; W429-G431 PolarHBondContact O-N 3.39Å; W429-G431 VanDerWaalsContact O-N 3.11Å; W429-F473 HydrophobicContact CD2-CE2 4.31Å; W429-F473 AromaticContact CD2-CZ 3.8Å; W429-F473 HydrophobicContact CD2-CZ 3.8Å; W429-F473 AromaticContact CE2-CZ 3.91Å; W429-F473 HydrophobicContact CE3-CE2 4.12Å; W429-F473 AromaticContact CE3-CZ 3.89Å; W429-F473 HydrophobicContact CE3-CZ 3.89Å; W429-F473 HydrophobicContact CG-CZ 4.37Å; W429-F473 HydrophobicContact CH2-CZ 4.21Å; W429-F473 HydrophobicContact CZ2-CZ 4.12Å; W429-F473 HydrophobicContact CZ3-CE2 4.47Å; W429-F473 HydrophobicContact CZ3-CZ 4.1Å
430	P	97.5	Very high	98	Very high	20 Å²	20	28.1 Å²	28.1	13%	0.13	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	15.3	-179.7	34.5	-37.7	0	0	0	113.7	A356 K358 T433	A356-P430 WeakPolarHBondContact O-CB 3.25Å; K358-P430 HydrophobicContact CG-CB 4.32Å; P430-T433 HydrophobicContact CG-CG2 3.57Å
431	G	97.6	Very high	98.1	Very high	28 Å²	28	28 Å²	28	29%	0.289	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	86.3	-129.9	-174.7	0	0	0	0	0	111.7	T427 V428 W429 T433	T427-G431 VanDerWaalsContact CA-O 3.28Å; T427-G431 WeakPolarHBondContact CA-O 3.35Å; V428-G431 PolarHBondContact N-O 2.9Å; V428-G431 PolarHBondContact O-N 3.41Å; W429-G431 PolarHBondContact O-N 3.39Å; W429-G431 VanDerWaalsContact O-N 3.11Å; G431-T433 PolarHBondContact O-N 2.63Å
432	E	98.1	Very high	98.1	Very high	52 Å²	52	27.5 Å²	27.5	24%	0.243	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	126.4	-178.9	-179.5	-177.2	108.9	0	0	111.2	S395 T396 L425 G426 L478	S395-E432 WeakPolarHBondContact CA-O 3.5Å; T396-E432 WeakPolarHBondContact CB-OE1 3.46Å; T396-E432 HydrophobicContact CG2-CG 4.1Å; T396-E432 PolarHBondContact N-O 3.45Å; T396-E432 VanDerWaalsContact OG1-CD 3.3Å; T396-E432 VanDerWaalsContact OG1-CG 3.32Å; T396-E432 WeakPolarHBondContact OG1-CG 3.46Å; T396-E432 PolarHBondContact OG1-O 3.05Å; T396-E432 PolarHBondContact OG1-OE1 3.49Å; L425-E432 HydrophobicContact CD2-CG 4.28Å; G426-E432 WeakPolarHBondContact O-CA 3.29Å; E432-L478 HydrophobicContact CB-CD1 4.47Å; E432-L478 HydrophobicContact CG-CD1 3.78Å
433	T	98.6	Very high	98.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	156.1	-174.2	51.7	0	0	0	0	113.1	A393 V394 L425 G426 V428 P430 G431	A393-T433 HydrophobicContact CB-CG2 3.85Å; V394-T433 CarbonylContact O-C 3.51Å; V394-T433 VanDerWaalsContact O-CA 3.24Å; V394-T433 WeakPolarHBondContact O-CA 3.48Å; L425-T433 WeakPolarHBondContact CA-O 3.17Å; G426-T433 PolarHBondContact N-O 2.79Å; G426-T433 PolarHBondContact O-N 3.34Å; V428-T433 HydrophobicContact CB-CG2 4.26Å; P430-T433 HydrophobicContact CG-CG2 3.57Å; G431-T433 PolarHBondContact O-N 2.63Å
434	V	98.6	Very high	98.2	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	157.3	163	-68.9	0	0	0	0	109.8	V394 T396 Y405 F414 P423 L425	V394-V434 HydrophobicContact CB-CG2 4.05Å; V394-V434 PolarHBondContact N-O 2.79Å; V394-V434 WeakPolarHBondContact O-CG2 3.37Å; V394-V434 PolarHBondContact O-N 3Å; T396-V434 HydrophobicContact CG2-CG1 3.9Å; Y405-V434 HydrophobicContact CD2-CG2 3.84Å; Y405-V434 HydrophobicContact CE2-CG1 4.35Å; Y405-V434 HydrophobicContact CE2-CG2 3.85Å; F414-V434 HydrophobicContact CB-CB 4.36Å; F414-V434 HydrophobicContact CD1-CB 4.01Å; F414-V434 HydrophobicContact CD1-CG2 3.59Å; F414-V434 HydrophobicContact CD2-CB 4.31Å; F414-V434 HydrophobicContact CD2-CG2 3.83Å; F414-V434 HydrophobicContact CE1-CB 4.41Å; F414-V434 HydrophobicContact CE1-CG2 3.5Å; F414-V434 HydrophobicContact CE2-CG2 3.72Å; F414-V434 HydrophobicContact CG-CB 3.97Å; F414-V434 HydrophobicContact CG-CG2 3.77Å; F414-V434 HydrophobicContact CZ-CG2 3.57Å; P423-V434 HydrophobicContact CB-CB 4.28Å; P423-V434 HydrophobicContact CB-CG1 3.6Å; L425-V434 HydrophobicContact CD2-CG1 3.75Å
435	F	98.9	Very high	98.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.			trans	-112.6	120.2	-173.8	-62.3	-94.9	0	0	0	110.4	A393 F414 I415 I424 V428 P470 A471 N472 I506	A393-F435 HydrophobicContact CB-CD1 4.33Å; A393-F435 HydrophobicContact CB-CE1 4.1Å; F414-F435 CarbonylContact C-O 3.29Å; F414-F435 WeakPolarHBondContact CA-O 3.46Å; I415-F435 HydrophobicContact CD1-CB 4.07Å; I415-F435 PolarHBondContact N-O 3.11Å; I424-F435 HydrophobicContact CG2-CD2 4.07Å; V428-F435 HydrophobicContact CG2-CE1 4.21Å; V428-F435 HydrophobicContact CG2-CZ 4.17Å; F435-P470 HydrophobicContact CD1-CB 4.04Å; F435-P470 HydrophobicContact CE1-CB 4.31Å; F435-A471 WeakPolarHBondContact CE1-O 3.35Å; F435-N472 HydrophobicContact CZ-CB 4.15Å; F435-I506 HydrophobicContact CD1-CG2 4.25Å; F435-I506 HydrophobicContact CD2-CG2 3.66Å; F435-I506 HydrophobicContact CE1-CG2 4.08Å; F435-I506 HydrophobicContact CE2-CG2 3.46Å; F435-I506 VanDerWaalsContact CE2-CG2 3.46Å; F435-I506 HydrophobicContact CG-CG2 4.05Å; F435-I506 HydrophobicContact CZ-CG2 3.69Å
436	P	98.7	Very high	98.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-61	139.8	173.2	-23	33.8	0	0	0	111.4	P392 V394 I413 F414 F438 W446 Y524	P392-P436 WeakPolarHBondContact O-CD 3.49Å; P392-P436 WeakPolarHBondContact O-CG 3.35Å; V394-P436 HydrophobicContact CG2-CG 3.82Å; I413-P436 HydrophobicContact CD1-CB 3.95Å; F414-P436 HydrophobicContact CD1-CG 4.39Å; F414-P436 HydrophobicContact CE1-CG 4.22Å; P436-F438 HydrophobicContact CB-CE1 4.42Å; P436-F438 HydrophobicContact CB-CE2 4.07Å; P436-F438 HydrophobicContact CB-CZ 4.02Å; P436-F438 HydrophobicContact CG-CZ 4.36Å; P436-W446 HydrophobicContact CB-CH2 4.09Å; P436-W446 HydrophobicContact CB-CZ3 3.81Å; P436-W446 HydrophobicContact CG-CH2 3.54Å; P436-W446 HydrophobicContact CG-CZ3 3.78Å; P436-Y524 WeakPolarHBondContact O-CE2 3.33Å; P436-Y524 PolarHBondContact O-OH 3.31Å
437	D	98.8	Very high	98.2	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	15%	0.15	C	C	.	.			trans	-93.1	97.4	167.7	179.1	15.7	0	0	0	109.6	I413 I415 S439 H440 A443 H512 Y513	I413-D437 WeakPolarHBondContact O-CB 3.44Å; I413-D437 PolarHBondContact O-N 3.41Å; I415-D437 HydrophobicContact CG1-CB 3.81Å; D437-S439 VanDerWaalsContact CG-OG 3.26Å; D437-S439 PolarHBondContact O-N 3.04Å; D437-S439 VanDerWaalsContact O-N 3.15Å; D437-S439 WeakPolarHBondContact OD1-CB 3.45Å; D437-S439 PolarHBondContact OD1-N 3.37Å; D437-S439 VanDerWaalsContact OD1-N 3.09Å; D437-S439 PolarHBondContact OD1-OG 3.48Å; D437-S439 PolarHBondContact OD2-OG 3.06Å; D437-H440 HydrophobicContact CB-CB 4.29Å; D437-H440 WeakPolarHBondContact O-CB 3.41Å; D437-H440 PolarHBondContact O-N 3.36Å; D437-A443 WeakPolarHBondContact O-CB 3.23Å; D437-H512 IonicContact OD1-CE1 2.71Å; D437-H512 IonicContact OD1-CG 2.85Å; D437-H512 IonicContact OD1-ND1 3.75Å; D437-H512 PolarHBondContact OD1-ND1 2.04Å; D437-H512 WeakPolarHBondContact OD2-CA 3.32Å; D437-H512 IonicContact OD2-ND1 3.49Å; D437-Y513 WeakPolarHBondContact OD2-CB 3.45Å; D437-Y513 PolarHBondContact OD2-N 2.78Å
438	F	98.6	Very high	98.2	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.018	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-6.8	179.8	-67	-74.7	0	0	0	114.2	P392 P436 W446 W447 Y524 D527 M528 R530 V531	P392-F438 HydrophobicContact CB-CE2 3.99Å; P392-F438 HydrophobicContact CB-CZ 4.44Å; P436-F438 HydrophobicContact CB-CE1 4.42Å; P436-F438 HydrophobicContact CB-CE2 4.07Å; P436-F438 HydrophobicContact CB-CZ 4.02Å; P436-F438 HydrophobicContact CG-CZ 4.36Å; F438-W446 HydrophobicContact CE1-CZ3 4.46Å; F438-W447 HydrophobicContact CE1-CD2 4.22Å; F438-W447 HydrophobicContact CE1-CE3 4.36Å; F438-W447 HydrophobicContact CZ-CH2 4.49Å; F438-Y524 HydrophobicContact CD2-CE1 4.11Å; F438-Y524 HydrophobicContact CD2-CE2 4.27Å; F438-Y524 AromaticContact CD2-CZ 3.84Å; F438-Y524 AromaticContact CE2-CE1 3.99Å; F438-Y524 HydrophobicContact CE2-CE1 3.99Å; F438-Y524 AromaticContact CE2-CZ 3.82Å; F438-Y524 WeakPolarHBondContact CE2-OH 3.42Å; F438-D527 HydrophobicContact CB-CB 3.75Å; F438-M528 HydrophobicContact CD2-CB 3.67Å; F438-M528 HydrophobicContact CD2-CG 4.05Å; F438-M528 HydrophobicContact CE1-CG 4.09Å; F438-M528 HydrophobicContact CE2-CB 3.72Å; F438-M528 HydrophobicContact CE2-CG 3.57Å; F438-M528 HydrophobicContact CE2-SD 3.94Å; F438-M528 HydrophobicContact CG-CB 4.1Å; F438-M528 HydrophobicContact CZ-CB 4.17Å; F438-M528 HydrophobicContact CZ-CE 4.19Å; F438-M528 HydrophobicContact CZ-CG 3.59Å; F438-M528 HydrophobicContact CZ-SD 4.12Å; F438-R530 PolarHBondContact O-NH2 2.93Å; F438-V531 HydrophobicContact CB-CG2 4.22Å; F438-V531 HydrophobicContact CD1-CB 4.08Å; F438-V531 HydrophobicContact CD1-CG1 4.04Å; F438-V531 HydrophobicContact CD1-CG2 4.27Å; F438-V531 HydrophobicContact CE1-CG1 4.5Å
439	S	97.3	Very high	98.2	Very high	33 Å²	33	31 Å²	31	23%	0.231	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-15	169.7	79.2	0	0	0	0	113.1	D437	D437-S439 VanDerWaalsContact CG-OG 3.26Å; D437-S439 PolarHBondContact O-N 3.04Å; D437-S439 VanDerWaalsContact O-N 3.15Å; D437-S439 WeakPolarHBondContact OD1-CB 3.45Å; D437-S439 PolarHBondContact OD1-N 3.37Å; D437-S439 VanDerWaalsContact OD1-N 3.09Å; D437-S439 PolarHBondContact OD1-OG 3.48Å; D437-S439 PolarHBondContact OD2-OG 3.06Å
440	H	98.2	Very high	98.1	Very high	28 Å²	28	27.5 Å²	27.5	13%	0.13	16%	0.155	C	C	.	.	S	Bend	trans	-69.2	134.1	179	-170.1	-74.9	0	0	0	110.6	D437 S442 A443 Y513	D437-H440 HydrophobicContact CB-CB 4.29Å; D437-H440 WeakPolarHBondContact O-CB 3.41Å; D437-H440 PolarHBondContact O-N 3.36Å; H440-S442 PolarHBondContact ND1-N 3.28Å; H440-S442 PolarHBondContact O-N 2.87Å; H440-S442 VanDerWaalsContact O-N 3.11Å; H440-A443 HydrophobicContact CB-CB 4.35Å; H440-A443 VanDerWaalsContact O-CB 3.24Å; H440-A443 WeakPolarHBondContact O-CB 3.47Å; H440-A443 PolarHBondContact O-N 2.9Å; H440-Y513 AromaticContact CD2-CD2 3.24Å; H440-Y513 WeakPolarHBondContact CD2-CD2 3.39Å; H440-Y513 AromaticContact CD2-CE2 3.93Å; H440-Y513 AromaticContact CD2-CG 3.84Å; H440-Y513 AromaticContact NE2-CD2 3.57Å; H440-Y513 AromaticContact NE2-CE2 3.78Å
441	P	96.8	Very high	98.2	Very high	82 Å²	82	26.6 Å²	26.6	53%	0.532	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-30	-174.9	21.5	-33.9	0	0	0	114.1	Y513	P441-Y513 HydrophobicContact CG-CE1 4.09Å; P441-Y513 HydrophobicContact CG-CE2 4.35Å
442	S	97.8	Very high	98.2	Very high	38 Å²	38	26.8 Å²	26.8	27%	0.266	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-6.1	176.1	-50.4	0	0	0	0	115.1	H440 E444 D445 W446	H440-S442 PolarHBondContact ND1-N 3.28Å; H440-S442 PolarHBondContact O-N 2.87Å; H440-S442 VanDerWaalsContact O-N 3.11Å; S442-E444 VanDerWaalsContact C-N 3.33Å; S442-E444 PolarHBondContact O-N 3.14Å; S442-D445 PolarHBondContact O-N 2.97Å; S442-W446 PolarHBondContact O-N 2.83Å; S442-W446 VanDerWaalsContact O-N 3.14Å
443	A	98.1	Very high	98.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65	-37.8	-178	0	0	0	0	0	111.8	D437 H440 W446 W447	D437-A443 WeakPolarHBondContact O-CB 3.23Å; H440-A443 HydrophobicContact CB-CB 4.35Å; H440-A443 VanDerWaalsContact O-CB 3.24Å; H440-A443 WeakPolarHBondContact O-CB 3.47Å; H440-A443 PolarHBondContact O-N 2.9Å; A443-W446 PolarHBondContact O-N 3.07Å; A443-W447 VanDerWaalsContact O-CB 3.31Å; A443-W447 WeakPolarHBondContact O-CB 3.43Å; A443-W447 PolarHBondContact O-N 2.87Å
444	E	98.2	Very high	98.2	Very high	55 Å²	55	26.8 Å²	26.8	26%	0.257	15%	0.147	S	C	.	.	H	α-helix	trans	-64.6	-43.3	179.1	-171.3	176	129	0	0	112.3	S442 W447 F448 V531 N534 V535	S442-E444 VanDerWaalsContact C-N 3.33Å; S442-E444 PolarHBondContact O-N 3.14Å; E444-W447 PolarHBondContact O-N 3.23Å; E444-F448 WeakPolarHBondContact O-CB 3.42Å; E444-F448 PolarHBondContact O-N 3.27Å; E444-V531 HydrophobicContact CB-CG1 4.19Å; E444-V531 HydrophobicContact CG-CG1 4.3Å; E444-N534 HydrophobicContact CG-CB 4.38Å; E444-N534 WeakPolarHBondContact OE2-CB 3.37Å; E444-N534 PolarHBondContact OE2-ND2 3.19Å; E444-V535 HydrophobicContact CG-CG2 4.03Å
445	D	98.4	Very high	98.2	Very high	88 Å²	88	28.2 Å²	28.2	47%	0.471	15%	0.154	S	C	.	.	H	α-helix	trans	-67.6	-38.4	177.2	-83.3	-35.1	0	0	0	112.3	S442 K449 R538	S442-D445 PolarHBondContact O-N 2.97Å; D445-K449 WeakPolarHBondContact O-CB 3.28Å; D445-K449 PolarHBondContact O-N 3.02Å; D445-R538 IonicContact OD1-CZ 2.67Å; D445-R538 IonicContact OD1-NH1 3.89Å; D445-R538 PolarHBondContact OD1-NH1 3.42Å; D445-R538 IonicContact OD1-NH2 2.91Å
446	W	98.3	Very high	98.1	Very high	6 Å²	6	35.4 Å²	35.4	2%	0.023	19%	0.185	C	C	.	.	H	α-helix	trans	-63.2	-45.2	173.9	167	80.4	0	0	0	111.7	V394 P404 I413 P436 F438 S442 A443 K449 S450	V394-W446 HydrophobicContact CG2-CH2 3.92Å; V394-W446 HydrophobicContact CG2-CZ2 3.99Å; P404-W446 HydrophobicContact CB-CZ2 4.36Å; P404-W446 PolarHBondContact O-NE1 3.28Å; I413-W446 HydrophobicContact CD1-CD2 3.9Å; I413-W446 HydrophobicContact CD1-CE3 3.88Å; I413-W446 HydrophobicContact CD1-CG 4.45Å; I413-W446 HydrophobicContact CD1-CH2 4.36Å; I413-W446 HydrophobicContact CD1-CZ2 4.39Å; I413-W446 HydrophobicContact CD1-CZ3 4.09Å; I413-W446 HydrophobicContact CG1-CD2 4.36Å; I413-W446 HydrophobicContact CG1-CG 4.4Å; P436-W446 HydrophobicContact CB-CH2 4.09Å; P436-W446 HydrophobicContact CB-CZ3 3.81Å; P436-W446 HydrophobicContact CG-CH2 3.54Å; P436-W446 HydrophobicContact CG-CZ3 3.78Å; F438-W446 HydrophobicContact CE1-CZ3 4.46Å; S442-W446 PolarHBondContact O-N 2.83Å; S442-W446 VanDerWaalsContact O-N 3.14Å; A443-W446 PolarHBondContact O-N 3.07Å; W446-K449 PolarHBondContact O-N 2.72Å; W446-S450 PolarHBondContact O-N 3.12Å; W446-S450 VanDerWaalsContact O-N 3.12Å; W446-S450 PolarHBondContact O-OG 2.87Å
447	W	98.4	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.4	-42.7	178.1	-161.7	-121.3	0	0	0	111.5	I359 W360 I390 F438 A443 E444 K449 S450 A451 M528 V531 T532 V535	I359-W447 HydrophobicContact CD1-CH2 4.39Å; I359-W447 HydrophobicContact CD1-CZ3 4.03Å; W360-W447 AromaticContact CE2-CZ3 3.92Å; W360-W447 HydrophobicContact CH2-CZ2 4.36Å; W360-W447 AromaticContact CZ2-CD2 3.91Å; W360-W447 HydrophobicContact CZ2-CD2 3.91Å; W360-W447 AromaticContact CZ2-CE2 3.71Å; W360-W447 AromaticContact CZ2-CE3 3.9Å; W360-W447 HydrophobicContact CZ2-CE3 3.9Å; W360-W447 AromaticContact CZ2-CH2 3.64Å; W360-W447 HydrophobicContact CZ2-CH2 3.64Å; W360-W447 AromaticContact CZ2-CZ2 3.59Å; W360-W447 HydrophobicContact CZ2-CZ2 3.59Å; W360-W447 AromaticContact CZ2-CZ3 3.79Å; W360-W447 HydrophobicContact CZ2-CZ3 3.79Å; W360-W447 AromaticContact NE1-CE3 3.87Å; W360-W447 AromaticContact NE1-CH2 3.92Å; W360-W447 AromaticContact NE1-CZ3 3.43Å; I390-W447 HydrophobicContact CG2-CH2 3.34Å; I390-W447 HydrophobicContact CG2-CZ2 3.54Å; I390-W447 HydrophobicContact CG2-CZ3 4.47Å; F438-W447 HydrophobicContact CE1-CD2 4.22Å; F438-W447 HydrophobicContact CE1-CE3 4.36Å; F438-W447 HydrophobicContact CZ-CH2 4.49Å; A443-W447 VanDerWaalsContact O-CB 3.31Å; A443-W447 WeakPolarHBondContact O-CB 3.43Å; A443-W447 PolarHBondContact O-N 2.87Å; E444-W447 PolarHBondContact O-N 3.23Å; W447-K449 VanDerWaalsContact C-N 3.33Å; W447-K449 PolarHBondContact O-N 3.08Å; W447-S450 PolarHBondContact O-N 2.88Å; W447-A451 WeakPolarHBondContact O-CB 3.39Å; W447-A451 PolarHBondContact O-N 3.14Å; W447-M528 HydrophobicContact CH2-CE 4.07Å; W447-M528 HydrophobicContact CZ2-CE 3.88Å; W447-V531 HydrophobicContact CB-CG1 3.99Å; W447-V531 HydrophobicContact CG-CG1 4.16Å; W447-T532 PolarHBondContact NE1-OG1 2.93Å; W447-V535 HydrophobicContact CB-CG2 4.15Å; W447-V535 HydrophobicContact CG-CG2 4.38Å
448	F	98.6	Very high	98	Very high	38 Å²	38	38.9 Å²	38.9	17%	0.167	21%	0.206	C	C	.	.	H	α-helix	trans	-56	-47.2	173.9	175.1	-101.7	0	0	0	111.5	E444 S450 S452 V535 R538 M539	E444-F448 WeakPolarHBondContact O-CB 3.42Å; E444-F448 PolarHBondContact O-N 3.27Å; F448-S450 VanDerWaalsContact C-N 3.34Å; F448-S450 PolarHBondContact O-N 3.38Å; F448-S452 WeakPolarHBondContact O-CB 3.11Å; F448-S452 PolarHBondContact O-N 3.21Å; F448-V535 HydrophobicContact CB-CG1 4.33Å; F448-V535 HydrophobicContact CB-CG2 3.88Å; F448-V535 HydrophobicContact CD2-CG1 4.26Å; F448-R538 HydrophobicContact CD2-CB 4.19Å; F448-R538 HydrophobicContact CD2-CG 3.97Å; F448-R538 HydrophobicContact CE2-CB 4.03Å; F448-R538 HydrophobicContact CE2-CG 3.55Å; F448-R538 HydrophobicContact CZ-CG 4.15Å; F448-M539 HydrophobicContact CD2-CG 3.88Å; F448-M539 HydrophobicContact CE2-CG 3.53Å
449	K	98.1	Very high	97.9	Very high	88 Å²	88	42.8 Å²	42.8	38%	0.383	23%	0.227	S	C	.	.	H	α-helix	trans	-62.5	-44.7	-179.2	-172.5	66.9	174.4	81.2	0	111.3	D445 W446 W447 D453	D445-K449 WeakPolarHBondContact O-CB 3.28Å; D445-K449 PolarHBondContact O-N 3.02Å; W446-K449 PolarHBondContact O-N 2.72Å; W447-K449 VanDerWaalsContact C-N 3.33Å; W447-K449 PolarHBondContact O-N 3.08Å; K449-D453 IonicContact NZ-OD1 2.73Å; K449-D453 PolarHBondContact NZ-OD1 3.36Å; K449-D453 IonicContact NZ-OD2 3.61Å; K449-D453 PolarHBondContact NZ-OD2 3.11Å; K449-D453 WeakPolarHBondContact O-CB 3.23Å; K449-D453 PolarHBondContact O-N 3.48Å
450	S	97.7	Very high	97.9	Very high	13 Å²	13	41.3 Å²	41.3	9%	0.091	22%	0.216	C	C	.	.	H	α-helix	trans	-64.1	-50.7	179.9	-57.4	0	0	0	0	111.2	W446 W447 F448 D453 F454	W446-S450 PolarHBondContact O-N 3.12Å; W446-S450 VanDerWaalsContact O-N 3.12Å; W446-S450 PolarHBondContact O-OG 2.87Å; W447-S450 PolarHBondContact O-N 2.88Å; F448-S450 VanDerWaalsContact C-N 3.34Å; F448-S450 PolarHBondContact O-N 3.38Å; S450-D453 PolarHBondContact O-N 3.22Å; S450-F454 WeakPolarHBondContact O-CB 3.34Å; S450-F454 PolarHBondContact O-N 2.79Å
451	A	98.5	Very high	97.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63	-44.3	178.2	0	0	0	0	0	112.5	W360 W447 F454 H455 V535 M539	W360-A451 HydrophobicContact CH2-CB 3.65Å; W360-A451 HydrophobicContact CZ2-CB 4.26Å; W360-A451 HydrophobicContact CZ3-CB 4.04Å; W447-A451 WeakPolarHBondContact O-CB 3.39Å; W447-A451 PolarHBondContact O-N 3.14Å; A451-F454 PolarHBondContact O-N 3.5Å; A451-H455 VanDerWaalsContact O-CB 3.28Å; A451-H455 WeakPolarHBondContact O-CB 2.94Å; A451-H455 PolarHBondContact O-N 3.47Å; A451-V535 HydrophobicContact CB-CG1 3.81Å; A451-M539 HydrophobicContact CB-CE 4.48Å; A451-M539 HydrophobicContact CB-SD 3.78Å
452	S	98.3	Very high	98	Very high	32 Å²	32	37.5 Å²	37.5	22%	0.224	19%	0.193	C	C	.	.	H	α-helix	trans	-65.8	-39.2	179.6	-176.9	0	0	0	0	112.7	F448 K456	F448-S452 WeakPolarHBondContact O-CB 3.11Å; F448-S452 PolarHBondContact O-N 3.21Å; S452-K456 WeakPolarHBondContact O-CE 3.37Å
453	D	97.5	Very high	98	Very high	43 Å²	43	35.7 Å²	35.7	23%	0.23	18%	0.18	C	C	.	.	H	α-helix	trans	-68.5	-43.6	174.6	-79.5	-5.6	0	0	0	111.5	R403 K449 S450 H455 K456	R403-D453 IonicContact NH1-OD2 2.76Å; K449-D453 IonicContact NZ-OD1 2.73Å; K449-D453 PolarHBondContact NZ-OD1 3.36Å; K449-D453 IonicContact NZ-OD2 3.61Å; K449-D453 PolarHBondContact NZ-OD2 3.11Å; K449-D453 WeakPolarHBondContact O-CB 3.23Å; K449-D453 PolarHBondContact O-N 3.48Å; S450-D453 PolarHBondContact O-N 3.22Å; D453-H455 VanDerWaalsContact C-N 3.33Å; D453-H455 PolarHBondContact O-N 3.05Å; D453-K456 WeakPolarHBondContact O-CB 3.1Å; D453-K456 PolarHBondContact O-N 2.96Å; D453-K456 VanDerWaalsContact O-N 3.17Å; D453-K456 IonicContact OD1-NZ 2.73Å; D453-K456 PolarHBondContact OD1-NZ 3.34Å
454	F	98.1	Very high	98.1	Very high	9 Å²	9	35.9 Å²	35.9	4%	0.039	18%	0.181	C	C	.	.	H	α-helix	trans	-69.1	-31.9	-179.4	-161	-111.1	0	0	0	112.7	Y353 W360 S361 V362 L388 S450 A451 K456 V457 I458 F460	Y353-F454 AromaticContact CE2-CE1 3.99Å; Y353-F454 HydrophobicContact CE2-CE1 3.99Å; Y353-F454 AromaticContact CE2-CZ 3.79Å; Y353-F454 HydrophobicContact CE2-CZ 3.79Å; W360-F454 VanDerWaalsContact C-CD2 3.42Å; W360-F454 HydrophobicContact CB-CB 4.44Å; W360-F454 HydrophobicContact CB-CD2 4.19Å; W360-F454 HydrophobicContact CB-CG 4.33Å; W360-F454 HydrophobicContact CD2-CB 4.4Å; W360-F454 HydrophobicContact CE3-CB 3.52Å; W360-F454 AromaticContact CE3-CD1 3.76Å; W360-F454 HydrophobicContact CE3-CD1 3.76Å; W360-F454 AromaticContact CE3-CG 3.74Å; W360-F454 HydrophobicContact CE3-CG 3.74Å; W360-F454 HydrophobicContact CZ3-CB 4.18Å; W360-F454 HydrophobicContact CZ3-CD1 4.25Å; W360-F454 VanDerWaalsContact O-CD2 3.31Å; W360-F454 WeakPolarHBondContact O-CD2 3.3Å; W360-F454 WeakPolarHBondContact O-CE2 3.17Å; S361-F454 WeakPolarHBondContact O-CZ 3.49Å; V362-F454 HydrophobicContact CG2-CE2 3.92Å; V362-F454 HydrophobicContact CG2-CZ 3.69Å; L388-F454 HydrophobicContact CD1-CD1 4.38Å; L388-F454 HydrophobicContact CD1-CE1 3.82Å; S450-F454 WeakPolarHBondContact O-CB 3.34Å; S450-F454 PolarHBondContact O-N 2.79Å; A451-F454 PolarHBondContact O-N 3.5Å; F454-K456 PolarHBondContact O-N 2.93Å; F454-K456 VanDerWaalsContact O-N 3.16Å; F454-V457 HydrophobicContact CD2-CB 4.42Å; F454-V457 HydrophobicContact CD2-CG2 4.48Å; F454-V457 WeakPolarHBondContact O-CA 3.47Å; F454-V457 VanDerWaalsContact O-CB 3.32Å; F454-V457 WeakPolarHBondContact O-CB 3.32Å; F454-V457 PolarHBondContact O-N 3.13Å; F454-I458 HydrophobicContact CE1-CD1 4.1Å; F454-I458 HydrophobicContact CE1-CG1 4.46Å; F454-I458 HydrophobicContact CZ-CD1 3.97Å; F454-I458 HydrophobicContact CZ-CG1 4.42Å; F454-I458 PolarHBondContact O-N 3.15Å; F454-F460 HydrophobicContact CD1-CD1 4.48Å; F454-F460 HydrophobicContact CD1-CE1 4.27Å
455	H	98.2	Very high	98.1	Very high	32 Å²	32	33.2 Å²	33.2	15%	0.148	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-21	174.2	-175.5	-100.3	0	0	0	113.2	A451 D453 V457 I458 N459 F460 M539 F540	A451-H455 VanDerWaalsContact O-CB 3.28Å; A451-H455 WeakPolarHBondContact O-CB 2.94Å; A451-H455 PolarHBondContact O-N 3.47Å; D453-H455 VanDerWaalsContact C-N 3.33Å; D453-H455 PolarHBondContact O-N 3.05Å; H455-V457 VanDerWaalsContact C-N 3.31Å; H455-I458 CarbonylContact C-O 3.53Å; H455-I458 VanDerWaalsContact CA-O 3.28Å; H455-I458 WeakPolarHBondContact CA-O 3.42Å; H455-I458 CarbonylContact O-C 3.52Å; H455-N459 PolarHBondContact CE1-ND2 3.04Å; H455-N459 PolarHBondContact NE2-ND2 3.27Å; H455-F460 HydrophobicContact CB-CD1 4.38Å; H455-F460 HydrophobicContact CB-CE1 3.66Å; H455-F460 HydrophobicContact CB-CZ 3.86Å; H455-F460 PolarHBondContact CD2-O 2.75Å; H455-F460 PolarHBondContact NE2-O 2.79Å; H455-M539 HydrophobicContact CB-CE 3.66Å; H455-F540 AromaticContact CD2-CZ 3.73Å; H455-F540 AromaticContact CE1-CE1 3.61Å; H455-F540 AromaticContact CE1-CZ 3.53Å; H455-F540 AromaticContact CG-CZ 3.98Å; H455-F540 AromaticContact ND1-CZ 3.87Å; H455-F540 AromaticContact NE2-CE1 3.9Å; H455-F540 AromaticContact NE2-CZ 3.46Å; H455-F540 WeakPolarHBondContact NE2-CZ 3.41Å
456	K	97.4	Very high	98.1	Very high	151 Å²	151	29.6 Å²	29.6	66%	0.657	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-21.2	171.6	-59.7	163	-166.7	158.3	0	112.4	S452 D453 F454	S452-K456 WeakPolarHBondContact O-CE 3.37Å; D453-K456 WeakPolarHBondContact O-CB 3.1Å; D453-K456 PolarHBondContact O-N 2.96Å; D453-K456 VanDerWaalsContact O-N 3.17Å; D453-K456 IonicContact OD1-NZ 2.73Å; D453-K456 PolarHBondContact OD1-NZ 3.34Å; F454-K456 PolarHBondContact O-N 2.93Å; F454-K456 VanDerWaalsContact O-N 3.16Å
457	V	97.1	Very high	98.1	Very high	76 Å²	76	29.7 Å²	29.7	46%	0.461	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-54.1	175.7	-174.8	0	0	0	0	109.4	V362 D371 F454 H455	V362-V457 HydrophobicContact CG2-CG1 4.29Å; D371-V457 WeakPolarHBondContact CB-O 3.38Å; F454-V457 HydrophobicContact CD2-CB 4.42Å; F454-V457 HydrophobicContact CD2-CG2 4.48Å; F454-V457 WeakPolarHBondContact O-CA 3.47Å; F454-V457 VanDerWaalsContact O-CB 3.32Å; F454-V457 WeakPolarHBondContact O-CB 3.32Å; F454-V457 PolarHBondContact O-N 3.13Å; H455-V457 VanDerWaalsContact C-N 3.31Å
458	I	97.9	Very high	98.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-123.4	119.5	177.3	-55.2	-179.6	0	0	0	108.6	Y353 V362 I370 V374 L388 F454 H455 F460	Y353-I458 HydrophobicContact CD2-CD1 4.47Å; V362-I458 HydrophobicContact CG2-CD1 3.75Å; V362-I458 HydrophobicContact CG2-CG1 4.38Å; I370-I458 HydrophobicContact CD1-CD1 4.05Å; I370-I458 HydrophobicContact CG1-CD1 4.29Å; I370-I458 HydrophobicContact CG2-CD1 3.63Å; I370-I458 HydrophobicContact CG2-CG1 4.02Å; V374-I458 HydrophobicContact CG1-CG2 4.5Å; V374-I458 HydrophobicContact CG2-CG2 4.04Å; L388-I458 HydrophobicContact CD1-CB 4.28Å; L388-I458 HydrophobicContact CD1-CD1 4.33Å; L388-I458 HydrophobicContact CD1-CG2 4.08Å; F454-I458 HydrophobicContact CE1-CD1 4.1Å; F454-I458 HydrophobicContact CE1-CG1 4.46Å; F454-I458 HydrophobicContact CZ-CD1 3.97Å; F454-I458 HydrophobicContact CZ-CG1 4.42Å; F454-I458 PolarHBondContact O-N 3.15Å; H455-I458 CarbonylContact C-O 3.53Å; H455-I458 VanDerWaalsContact CA-O 3.28Å; H455-I458 WeakPolarHBondContact CA-O 3.42Å; H455-I458 CarbonylContact O-C 3.52Å; I458-F460 VanDerWaalsContact O-CD1 3.26Å; I458-F460 WeakPolarHBondContact O-CD1 3.24Å; I458-F460 PolarHBondContact O-N 3.43Å
459	N	96.5	Very high	98.2	Very high	86 Å²	86	27.9 Å²	27.9	46%	0.46	14%	0.142	S	C	.	.			trans	-76.3	70.8	177.1	-164.8	-96.6	0	0	0	110.6	H455	H455-N459 PolarHBondContact CE1-ND2 3.04Å; H455-N459 PolarHBondContact NE2-ND2 3.27Å
460	F	98.2	Very high	98.2	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.009	12%	0.124	C	C	.	.			trans	-72.4	149.2	177.8	60.3	-100.8	0	0	0	111.7	L388 F454 H455 I458 L463 L536 M539	L388-F460 HydrophobicContact CD1-CB 3.81Å; L388-F460 HydrophobicContact CD1-CD1 3.84Å; L388-F460 HydrophobicContact CD1-CG 4.13Å; L388-F460 HydrophobicContact CG-CB 3.9Å; F454-F460 HydrophobicContact CD1-CD1 4.48Å; F454-F460 HydrophobicContact CD1-CE1 4.27Å; H455-F460 HydrophobicContact CB-CD1 4.38Å; H455-F460 HydrophobicContact CB-CE1 3.66Å; H455-F460 HydrophobicContact CB-CZ 3.86Å; H455-F460 PolarHBondContact CD2-O 2.75Å; H455-F460 PolarHBondContact NE2-O 2.79Å; I458-F460 VanDerWaalsContact O-CD1 3.26Å; I458-F460 WeakPolarHBondContact O-CD1 3.24Å; I458-F460 PolarHBondContact O-N 3.43Å; F460-L463 HydrophobicContact CD2-CD2 3.82Å; F460-L463 HydrophobicContact CD2-CG 4.2Å; F460-L463 HydrophobicContact CE2-CD1 4.2Å; F460-L463 HydrophobicContact CE2-CD2 3.73Å; F460-L463 HydrophobicContact CE2-CG 3.91Å; F460-L463 HydrophobicContact CG-CD2 4.28Å; F460-L463 HydrophobicContact CZ-CD2 4.09Å; F460-L536 HydrophobicContact CE2-CD2 4.04Å; F460-M539 HydrophobicContact CZ-CE 4.22Å
461	D	98.1	Very high	98.2	Very high	31 Å²	31	23.1 Å²	23.1	17%	0.166	12%	0.119	C	C	.	.	S	Bend	trans	-100.6	-16.7	-180	-66.5	-79.2	0	0	0	113	W313 R379 R385 T386	W313-D461 HydrophobicContact CH2-CB 4.49Å; W313-D461 HydrophobicContact CZ2-CB 4.21Å; R379-D461 IonicContact CZ-OD1 3.34Å; R379-D461 IonicContact NH1-OD1 2.84Å; R379-D461 PolarHBondContact NH1-OD1 2.87Å; R379-D461 IonicContact NH1-OD2 3.95Å; R379-D461 PolarHBondContact NH1-OD2 3.41Å; R385-D461 VanDerWaalsContact CA-OD2 3.25Å; R385-D461 WeakPolarHBondContact CA-OD2 3.49Å; R385-D461 HydrophobicContact CB-CB 4Å; R385-D461 WeakPolarHBondContact CB-OD2 3.38Å; R385-D461 WeakPolarHBondContact CD-OD2 2.9Å; R385-D461 HydrophobicContact CG-CB 4.48Å; T386-D461 PolarHBondContact N-OD2 3.39Å; T386-D461 PolarHBondContact O-N 3.08Å
462	G	98.6	Very high	98.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	169.5	177.6	0	0	0	0	0	112	T386 V387 L388 F546	T386-G462 PolarHBondContact O-N 3.28Å; V387-G462 WeakPolarHBondContact CA-O 3.16Å; L388-G462 PolarHBondContact N-O 2.86Å; G462-F546 VanDerWaalsContact CA-O 3.27Å; G462-F546 WeakPolarHBondContact CA-O 3.32Å
463	L	98.9	Very high	98.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.4	-179	-66	177	0	0	0	110.9	W360 L388 I390 F460 T532 L536 F546 I547 L548	W360-L463 HydrophobicContact CH2-CD1 4.22Å; L388-L463 HydrophobicContact CB-CD2 4.5Å; I390-L463 HydrophobicContact CG1-CD2 3.95Å; F460-L463 HydrophobicContact CD2-CD2 3.82Å; F460-L463 HydrophobicContact CD2-CG 4.2Å; F460-L463 HydrophobicContact CE2-CD1 4.2Å; F460-L463 HydrophobicContact CE2-CD2 3.73Å; F460-L463 HydrophobicContact CE2-CG 3.91Å; F460-L463 HydrophobicContact CG-CD2 4.28Å; F460-L463 HydrophobicContact CZ-CD2 4.09Å; L463-T532 HydrophobicContact CB-CG2 4.36Å; L463-T532 HydrophobicContact CD1-CG2 3.75Å; L463-L536 HydrophobicContact CD1-CD1 4.36Å; L463-L536 HydrophobicContact CD1-CD2 4.03Å; L463-L536 HydrophobicContact CD1-CG 4.41Å; L463-L536 HydrophobicContact CG-CD1 4.46Å; L463-L536 HydrophobicContact CG-CD2 4.47Å; L463-F546 PolarHBondContact N-O 3.14Å; L463-I547 CarbonylContact O-C 3.59Å; L463-I547 VanDerWaalsContact O-CA 3.23Å; L463-I547 WeakPolarHBondContact O-CA 3.49Å; L463-L548 PolarHBondContact O-N 3.46Å
464	W	98.9	Very high	98.1	Very high	3 Å²	3	25.9 Å²	25.9	1%	0.011	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111.2	169.7	168	18.3	0	0	0	107.4	W348 D350 V387 L388 I389 I390 D466 L548 W563 H624	W348-W464 HydrophobicContact CE3-CB 4.09Å; W348-W464 HydrophobicContact CE3-CD2 4.18Å; W348-W464 AromaticContact CE3-CE3 3.77Å; W348-W464 HydrophobicContact CE3-CE3 3.77Å; W348-W464 HydrophobicContact CE3-CG 4.33Å; W348-W464 HydrophobicContact CZ3-CB 3.65Å; W348-W464 HydrophobicContact CZ3-CD2 4.08Å; W348-W464 HydrophobicContact CZ3-CE3 4.16Å; W348-W464 AromaticContact CZ3-CG 3.87Å; W348-W464 HydrophobicContact CZ3-CG 3.87Å; D350-W464 HydrophobicContact CB-CZ3 4.45Å; D350-W464 WeakPolarHBondContact OD2-CH2 3.38Å; D350-W464 WeakPolarHBondContact OD2-CZ3 2.98Å; V387-W464 HydrophobicContact CG1-CB 4.09Å; L388-W464 PolarHBondContact O-N 3.34Å; I389-W464 CarbonylContact C-O 3.52Å; I389-W464 VanDerWaalsContact CA-O 3.24Å; I389-W464 WeakPolarHBondContact CA-O 3.44Å; I389-W464 HydrophobicContact CB-CD2 3.94Å; I389-W464 HydrophobicContact CB-CE3 3.57Å; I389-W464 HydrophobicContact CB-CG 4.39Å; I389-W464 HydrophobicContact CB-CZ3 4.02Å; I389-W464 HydrophobicContact CD1-CD2 3.9Å; I389-W464 HydrophobicContact CD1-CE3 3.87Å; I389-W464 HydrophobicContact CD1-CH2 3.57Å; I389-W464 HydrophobicContact CD1-CZ2 3.61Å; I389-W464 HydrophobicContact CD1-CZ3 3.7Å; I389-W464 HydrophobicContact CG1-CD2 3.61Å; I389-W464 HydrophobicContact CG1-CE3 3.71Å; I389-W464 HydrophobicContact CG1-CG 4.02Å; I389-W464 HydrophobicContact CG1-CH2 4.34Å; I389-W464 HydrophobicContact CG1-CZ2 4.26Å; I389-W464 HydrophobicContact CG1-CZ3 4.08Å; I390-W464 PolarHBondContact N-O 3.3Å; W464-D466 HydrophobicContact CZ2-CB 4.42Å; W464-D466 WeakPolarHBondContact CZ2-OD2 3.29Å; W464-L548 CarbonylContact C-O 3.45Å; W464-L548 WeakPolarHBondContact CA-O 3.49Å; W464-L548 HydrophobicContact CB-CB 4.44Å; W464-L548 HydrophobicContact CG-CD2 4.3Å; W464-W563 AromaticContact CD1-CH2 3.82Å; W464-W563 AromaticContact CD1-CZ3 3.64Å; W464-W563 AromaticContact CE2-CH2 3.78Å; W464-W563 HydrophobicContact CZ2-CH2 4.1Å; W464-W563 AromaticContact CZ2-CZ2 3.93Å; W464-W563 HydrophobicContact CZ2-CZ2 3.93Å; W464-W563 AromaticContact NE1-CH2 2.89Å; W464-W563 AromaticContact NE1-CZ2 3.59Å; W464-W563 AromaticContact NE1-CZ3 3.16Å; W464-H624 AromaticContact CH2-CE1 3.75Å; W464-H624 AromaticContact CH2-NE2 3.37Å; W464-H624 WeakPolarHBondContact CH2-NE2 3.33Å
465	I	98.9	Very high	98	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	112.9	179.1	57.5	175.7	0	0	0	109.5	I390 M528 A529 T532 I547 L548 T549 R550	I390-I465 WeakPolarHBondContact O-CA 3.43Å; I465-M528 HydrophobicContact CB-CE 3.67Å; I465-M528 HydrophobicContact CB-CG 4.48Å; I465-M528 HydrophobicContact CB-SD 3.97Å; I465-M528 HydrophobicContact CD1-CB 4.38Å; I465-M528 HydrophobicContact CD1-CG 3.96Å; I465-M528 HydrophobicContact CD1-SD 4.36Å; I465-M528 HydrophobicContact CG2-CE 3.65Å; I465-M528 HydrophobicContact CG2-SD 4.43Å; I465-A529 HydrophobicContact CD1-CB 3.87Å; I465-T532 HydrophobicContact CG2-CG2 4.34Å; I465-I547 HydrophobicContact CD1-CG2 3.74Å; I465-I547 HydrophobicContact CG1-CG2 3.86Å; I465-L548 WeakPolarHBondContact CG1-O 3.46Å; I465-L548 PolarHBondContact N-O 2.91Å; I465-T549 WeakPolarHBondContact O-CA 3.38Å; I465-R550 PolarHBondContact O-N 2.95Å
466	D	98.8	Very high	98	Very high	12 Å²	12	26.6 Å²	26.6	6%	0.064	14%	0.138	C	C	.	.			trans	-119	173	-173.7	-158.4	5.3	0	0	0	111.6	I389 I390 P392 W464 N468 R550 W563	I389-D466 HydrophobicContact CD1-CB 3.73Å; I389-D466 HydrophobicContact CG1-CB 3.91Å; I390-D466 PolarHBondContact O-N 3.3Å; P392-D466 WeakPolarHBondContact CD-O 3.2Å; W464-D466 HydrophobicContact CZ2-CB 4.42Å; W464-D466 WeakPolarHBondContact CZ2-OD2 3.29Å; D466-N468 PolarHBondContact O-N 3.3Å; D466-N468 VanDerWaalsContact O-N 3.09Å; D466-R550 WeakPolarHBondContact OD1-CD 3.29Å; D466-R550 IonicContact OD1-CZ 3.45Å; D466-R550 IonicContact OD1-NE 3.26Å; D466-R550 PolarHBondContact OD1-NE 3.26Å; D466-R550 IonicContact OD1-NH1 2.77Å; D466-R550 PolarHBondContact OD1-NH1 3Å; D466-R550 IonicContact OD1-NH2 3.58Å; D466-R550 IonicContact OD2-NH1 3.9Å; D466-W563 HydrophobicContact CB-CH2 4.28Å; D466-W563 WeakPolarHBondContact OD1-CH2 3.2Å
467	M	98.6	Very high	98.1	Very high	7 Å²	7	19.7 Å²	19.7	3%	0.034	11%	0.108	C	C	.	.	S	Bend	trans	58.7	26.3	176	-49	-53.6	-71.2	0	0	113.1	D391 P392 A471 F473 R550	D391-M467 VanDerWaalsContact OD1-CG 3.23Å; D391-M467 WeakPolarHBondContact OD1-CG 3.46Å; P392-M467 WeakPolarHBondContact CG-O 3.1Å; M467-A471 HydrophobicContact CB-CB 4.08Å; M467-A471 HydrophobicContact CE-CB 3.6Å; M467-A471 PolarHBondContact O-N 2.98Å; M467-F473 HydrophobicContact CE-CE1 3.97Å; M467-R550 PolarHBondContact SD-NH1 2.77Å; M467-R550 PolarHBondContact SD-NH2 3.41Å
468	N	98.8	Very high	98	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	27.6	-165.3	67.7	-13.3	0	0	0	114.2	P392 D466 Y524 G525 M528 T549 S551	P392-N468 HydrophobicContact CG-CB 4.24Å; D466-N468 PolarHBondContact O-N 3.3Å; D466-N468 VanDerWaalsContact O-N 3.09Å; N468-Y524 HydrophobicContact CB-CD1 4.32Å; N468-Y524 HydrophobicContact CB-CE1 4.41Å; N468-Y524 WeakPolarHBondContact O-CD1 3.4Å; N468-G525 VanDerWaalsContact O-CA 3.29Å; N468-G525 WeakPolarHBondContact O-CA 3.32Å; N468-G525 PolarHBondContact O-N 3.42Å; N468-G525 VanDerWaalsContact O-N 3.13Å; N468-M528 HydrophobicContact CB-SD 3.52Å; N468-M528 VanDerWaalsContact CB-SD 3.52Å; N468-T549 PolarHBondContact ND2-OG1 3.46Å; N468-S551 VanDerWaalsContact C-CB 3.5Å; N468-S551 WeakPolarHBondContact O-CB 3.4Å; N468-S551 PolarHBondContact O-OG 2.78Å; N468-S551 WeakPolarHBondContact OD1-CB 2.95Å; N468-S551 PolarHBondContact OD1-N 2.76Å
469	E	98.7	Very high	97.9	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-40.1	166.1	-64.7	69.2	-145.2	0	0	114.2	H521 R550	E469-H521 VanDerWaalsContact O-O 3.06Å; E469-R550 IonicContact OE1-CZ 2.8Å; E469-R550 IonicContact OE1-NE 2.7Å; E469-R550 PolarHBondContact OE1-NE 3.26Å; E469-R550 IonicContact OE1-NH2 2.64Å; E469-R550 PolarHBondContact OE1-NH2 3.39Å; E469-R550 IonicContact OE2-CZ 3.54Å; E469-R550 IonicContact OE2-NE 2.56Å; E469-R550 IonicContact OE2-NH2 3.46Å; E469-R550 PolarHBondContact OE2-NH2 3.48Å
470	P	98.6	Very high	97.9	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	cis	-84.4	137.4	2.7	32.3	-31.6	0	0	0	114	F435 T505 I506 H517 Y524	F435-P470 HydrophobicContact CD1-CB 4.04Å; F435-P470 HydrophobicContact CE1-CB 4.31Å; P470-T505 WeakPolarHBondContact O-CA 3.32Å; P470-T505 VanDerWaalsContact O-CB 3.31Å; P470-T505 WeakPolarHBondContact O-CB 3.47Å; P470-T505 PolarHBondContact O-OG1 3.17Å; P470-I506 HydrophobicContact CG-CD1 4.35Å; P470-I506 HydrophobicContact CG-CG1 4.31Å; P470-H517 VanDerWaalsContact CD-CE1 3.47Å; P470-H517 WeakPolarHBondContact CD-CE1 3.17Å; P470-Y524 HydrophobicContact CB-CD1 3.81Å; P470-Y524 HydrophobicContact CB-CD2 4.47Å; P470-Y524 HydrophobicContact CB-CE1 3.71Å; P470-Y524 HydrophobicContact CB-CE2 4.39Å; P470-Y524 HydrophobicContact CB-CG 4.19Å; P470-Y524 HydrophobicContact CG-CD1 4.15Å; P470-Y524 HydrophobicContact CG-CD2 4.04Å; P470-Y524 HydrophobicContact CG-CE1 4.32Å; P470-Y524 HydrophobicContact CG-CE2 4.23Å; P470-Y524 HydrophobicContact CG-CG 4Å
471	A	98.5	Very high	97.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.132	C	C	.	.			trans	-74.6	142	177.5	0	0	0	0	0	112	D228 F435 M467 K504	D228-A471 HydrophobicContact CB-CB 3.66Å; F435-A471 WeakPolarHBondContact CE1-O 3.35Å; M467-A471 HydrophobicContact CB-CB 4.08Å; M467-A471 HydrophobicContact CE-CB 3.6Å; M467-A471 PolarHBondContact O-N 2.98Å; A471-K504 CarbonylContact C-O 3.52Å; A471-K504 WeakPolarHBondContact CA-O 3.45Å
472	N	98.6	Very high	97.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.131	C	C	.	.			trans	-142.1	128.2	173.5	-171.3	4.1	0	0	0	109.5	G426 T427 F435 N474 G476 K504 I506	G426-N472 WeakPolarHBondContact CA-OD1 3.46Å; T427-N472 PolarHBondContact N-OD1 3.25Å; T427-N472 PolarHBondContact O-OD1 2.79Å; T427-N472 VanDerWaalsContact O-OD1 3.14Å; F435-N472 HydrophobicContact CZ-CB 4.15Å; N472-N474 WeakPolarHBondContact CB-O 3.45Å; N472-N474 PolarHBondContact ND2-O 2.66Å; N472-N474 PolarHBondContact O-N 2.89Å; N472-N474 PolarHBondContact OD1-N 3.48Å; N472-N474 PolarHBondContact OD1-O 2.76Å; N472-G476 PolarHBondContact ND2-O 2.76Å; N472-G476 VanDerWaalsContact ND2-O 3.1Å; N472-K504 PolarHBondContact N-O 2.77Å; N472-K504 CarbonylContact O-C 3.48Å; N472-K504 WeakPolarHBondContact O-CA 3.24Å; N472-I506 HydrophobicContact CB-CG2 4.44Å
473	F	97.9	Very high	97.4	Very high	79 Å²	79	26.6 Å²	26.6	35%	0.346	17%	0.167	S	C	.	.	S	Bend	trans	-70.8	-18.8	179.5	-59.6	-15.8	0	0	0	112.4	T427 V428 W429 M467	T427-F473 HydrophobicContact CG2-CB 4.39Å; T427-F473 HydrophobicContact CG2-CD2 4.09Å; T427-F473 WeakPolarHBondContact O-CB 3.48Å; T427-F473 WeakPolarHBondContact O-CG 3.48Å; T427-F473 PolarHBondContact O-N 2.8Å; V428-F473 HydrophobicContact CG1-CE1 4.42Å; V428-F473 HydrophobicContact CG1-CZ 4.19Å; W429-F473 HydrophobicContact CD2-CE2 4.31Å; W429-F473 AromaticContact CD2-CZ 3.8Å; W429-F473 HydrophobicContact CD2-CZ 3.8Å; W429-F473 AromaticContact CE2-CZ 3.91Å; W429-F473 HydrophobicContact CE3-CE2 4.12Å; W429-F473 AromaticContact CE3-CZ 3.89Å; W429-F473 HydrophobicContact CE3-CZ 3.89Å; W429-F473 HydrophobicContact CG-CZ 4.37Å; W429-F473 HydrophobicContact CH2-CZ 4.21Å; W429-F473 HydrophobicContact CZ2-CZ 4.12Å; W429-F473 HydrophobicContact CZ3-CE2 4.47Å; W429-F473 HydrophobicContact CZ3-CZ 4.1Å; M467-F473 HydrophobicContact CE-CE1 3.97Å
474	N	95.1	Very high	97.2	Very high	55 Å²	55	31.9 Å²	31.9	29%	0.294	20%	0.204	S	C	.	.	S	Bend	trans	-99.6	142.5	166.9	-54.8	114.1	0	0	0	110.2	T427 N472 G476 L478	T427-N474 WeakPolarHBondContact CB-OD1 3.38Å; T427-N474 PolarHBondContact OG1-OD1 3.45Å; N472-N474 WeakPolarHBondContact CB-O 3.45Å; N472-N474 PolarHBondContact ND2-O 2.66Å; N472-N474 PolarHBondContact O-N 2.89Å; N472-N474 PolarHBondContact OD1-N 3.48Å; N472-N474 PolarHBondContact OD1-O 2.76Å; N474-G476 PolarHBondContact O-N 3.12Å; N474-G476 VanDerWaalsContact O-N 3.12Å; N474-L478 WeakPolarHBondContact OD1-CD2 3.21Å
475	S	96.4	Very high	97	Very high	55 Å²	55	33.9 Å²	33.9	39%	0.385	22%	0.215	S	C	.	.	S	Bend	trans	-69.6	110.3	169.9	-43.2	0	0	0	0	109.5	S477 Y502 D503	S475-S477 PolarHBondContact O-N 3.32Å; S475-Y502 CarbonylContact C-O 3.55Å; S475-Y502 WeakPolarHBondContact CA-O 3.46Å; S475-Y502 WeakPolarHBondContact CB-O 3.18Å; S475-D503 PolarHBondContact OG-OD1 2.92Å
476	G	98.3	Very high	96.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	88.5	-85.2	177.7	0	0	0	0	0	115.1	N472 N474 C481 Y502 T505 I506 C507	N472-G476 PolarHBondContact ND2-O 2.76Å; N472-G476 VanDerWaalsContact ND2-O 3.1Å; N474-G476 PolarHBondContact O-N 3.12Å; N474-G476 VanDerWaalsContact O-N 3.12Å; G476-C481 WeakPolarHBondContact CA-SG 3.49Å; G476-Y502 PolarHBondContact N-O 3.22Å; G476-Y502 VanDerWaalsContact N-O 3.09Å; G476-T505 VanDerWaalsContact CA-O 3.31Å; G476-T505 WeakPolarHBondContact CA-O 3.32Å; G476-T505 PolarHBondContact N-O 3.48Å; G476-I506 VanDerWaalsContact O-CA 3.24Å; G476-I506 WeakPolarHBondContact O-CA 3.33Å; G476-C507 PolarHBondContact O-N 3.43Å
477	S	98.1	Very high	96.9	Very high	6 Å²	6	39 Å²	39	4%	0.042	25%	0.245	C	C	.	.			trans	-149.8	171.5	179.9	83.4	0	0	0	0	110.3	R419 L425 S475 S479 G480	R419-S477 PolarHBondContact NH2-OG 3.44Å; L425-S477 CarbonylContact O-C 3.51Å; L425-S477 VanDerWaalsContact O-CA 3.26Å; L425-S477 WeakPolarHBondContact O-CA 3.37Å; L425-S477 VanDerWaalsContact O-CB 3.32Å; L425-S477 WeakPolarHBondContact O-CB 3.35Å; S475-S477 PolarHBondContact O-N 3.32Å; S477-S479 PolarHBondContact O-N 3.11Å; S477-S479 PolarHBondContact OG-N 3.41Å; S477-S479 VanDerWaalsContact OG-N 3.09Å; S477-S479 PolarHBondContact OG-OG 3.48Å; S477-G480 PolarHBondContact O-N 2.87Å; S477-G480 PolarHBondContact OG-N 2.88Å; S477-G480 PolarHBondContact OG-O 2.81Å
478	L	97	Very high	96.9	Very high	80 Å²	80	38.7 Å²	38.7	42%	0.419	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-21.4	171.2	-73.9	-173.2	0	0	0	113.9	L425 T427 E432 N474	L425-L478 HydrophobicContact CB-CB 4.38Å; L425-L478 HydrophobicContact CB-CD1 3.92Å; L425-L478 HydrophobicContact CB-CG 4.14Å; L425-L478 PolarHBondContact O-N 3.02Å; T427-L478 WeakPolarHBondContact OG1-CD2 3.32Å; E432-L478 HydrophobicContact CB-CD1 4.47Å; E432-L478 HydrophobicContact CG-CD1 3.78Å; N474-L478 WeakPolarHBondContact OD1-CD2 3.21Å
479	S	94.9	Very high	96.8	Very high	80 Å²	80	42 Å²	42	56%	0.559	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.3	21.2	178.3	58.6	0	0	0	0	112.9	R419 S477	R419-S479 PolarHBondContact NH1-O 3.46Å; R419-S479 PolarHBondContact NH2-OG 3.17Å; S477-S479 PolarHBondContact O-N 3.11Å; S477-S479 PolarHBondContact OG-N 3.41Å; S477-S479 VanDerWaalsContact OG-N 3.09Å; S477-S479 PolarHBondContact OG-OG 3.48Å
480	G	96.4	Very high	96.6	Very high	29 Å²	29	42.5 Å²	42.5	30%	0.299	27%	0.265	S	S	.	.			trans	66.3	-168.2	-175.9	0	0	0	0	0	113.5	R419 S477	R419-G480 PolarHBondContact NH1-O 3.05Å; R419-G480 PolarHBondContact NH2-O 3.2Å; S477-G480 PolarHBondContact O-N 2.87Å; S477-G480 PolarHBondContact OG-N 2.88Å; S477-G480 PolarHBondContact OG-O 2.81Å
481	C	97.6	Very high	96.4	Very high	21 Å²	21	45.4 Å²	45.4	14%	0.142	28%	0.283	C	S	.	.			trans	-109.7	156.1	174.8	-57.5	0	0	0	0	111.4	G476 S483 D488 Y502 C507	G476-C481 WeakPolarHBondContact CA-SG 3.49Å; C481-S483 PolarHBondContact O-N 3.27Å; C481-S483 VanDerWaalsContact O-N 3.13Å; C481-D488 HydrophobicContact CB-CB 4.14Å; C481-Y502 HydrophobicContact CB-CD1 4.34Å; C481-Y502 HydrophobicContact CB-CE1 4.37Å; C481-C507 WeakPolarHBondContact CA-SG 3.43Å; C481-C507 HydrophobicContact CB-CB 3.94Å; C481-C507 WeakPolarHBondContact CB-SG 3.47Å; C481-C507 WeakPolarHBondContact SG-CA 3.11Å; C481-C507 WeakPolarHBondContact SG-CB 3.19Å; C481-C507 CovalentContact SG-SG 2.04Å; C481-C507 PolarHBondContact SG-SG 2.58Å
482	P	94	Very high	96.2	Very high	22 Å²	22	45.4 Å²	45.4	14%	0.143	28%	0.283	C	S	.	.			trans	-62.4	114.2	175.4	6.6	-6.7	0	0	0	112.1	R419 S484 N485 D488	R419-P482 HydrophobicContact CG-CB 4.31Å; R419-P482 HydrophobicContact CG-CG 3.85Å; P482-S484 VanDerWaalsContact C-N 3.26Å; P482-S484 PolarHBondContact O-N 2.97Å; P482-N485 HydrophobicContact CB-CB 3.97Å; P482-N485 HydrophobicContact CG-CB 4.06Å; P482-N485 WeakPolarHBondContact O-CB 3.43Å; P482-N485 PolarHBondContact O-N 3.47Å; P482-N485 VanDerWaalsContact O-N 3.12Å; P482-D488 VanDerWaalsContact CD-OD2 3.31Å; P482-D488 WeakPolarHBondContact CD-OD2 3.24Å; P482-D488 WeakPolarHBondContact CG-OD2 3.28Å
483	S	92.1	Very high	96.1	Very high	108 Å²	108	47.1 Å²	47.1	76%	0.755	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-24.7	-174.6	60.9	0	0	0	0	114.6	C481 N489	C481-S483 PolarHBondContact O-N 3.27Å; C481-S483 VanDerWaalsContact O-N 3.13Å; S483-N489 PolarHBondContact O-ND2 2.63Å
484	S	94.3	Very high	96	Very high	112 Å²	112	43.4 Å²	43.4	78%	0.783	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-4.1	178.6	62.5	0	0	0	0	113.6	P482	P482-S484 VanDerWaalsContact C-N 3.26Å; P482-S484 PolarHBondContact O-N 2.97Å
485	N	96.3	Very high	95.8	Very high	44 Å²	44	46.4 Å²	46.4	24%	0.235	29%	0.288	C	S	.	.			trans	-80.8	124.9	-179	-170.5	-42.6	0	0	0	109.7	P482 L487 D488 N489 S509	P482-N485 HydrophobicContact CB-CB 3.97Å; P482-N485 HydrophobicContact CG-CB 4.06Å; P482-N485 WeakPolarHBondContact O-CB 3.43Å; P482-N485 PolarHBondContact O-N 3.47Å; P482-N485 VanDerWaalsContact O-N 3.12Å; N485-L487 VanDerWaalsContact C-N 3.26Å; N485-L487 PolarHBondContact O-N 3.3Å; N485-L487 VanDerWaalsContact OD1-CB 3.31Å; N485-L487 WeakPolarHBondContact OD1-CB 3.44Å; N485-L487 PolarHBondContact OD1-N 3.42Å; N485-D488 HydrophobicContact CB-CB 4.42Å; N485-D488 VanDerWaalsContact CB-OD2 3.32Å; N485-D488 WeakPolarHBondContact CB-OD2 3.49Å; N485-D488 PolarHBondContact O-N 2.8Å; N485-N489 PolarHBondContact O-N 3.39Å; N485-S509 WeakPolarHBondContact ND2-CB 3.17Å
486	T	96.5	Very high	95.7	Very high	80 Å²	80	44.1 Å²	44.1	49%	0.491	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-13.7	-176.9	66.3	0	0	0	0	113.1	Q189 N489 P490	Q189-T486 PolarHBondContact NE2-O 2.92Å; Q189-T486 PolarHBondContact OE1-OG1 2.97Å; Q189-T486 VanDerWaalsContact OE1-OG1 3.08Å; T486-N489 CarbonylContact O-C 3.56Å; T486-P490 WeakPolarHBondContact O-CA 3.43Å
487	L	98	Very high	95.3	Very high	39 Å²	39	46.2 Å²	46.2	20%	0.204	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-41	170.5	-58.7	-178	0	0	0	111	N485 P508 T516 Y518	N485-L487 VanDerWaalsContact C-N 3.26Å; N485-L487 PolarHBondContact O-N 3.3Å; N485-L487 VanDerWaalsContact OD1-CB 3.31Å; N485-L487 WeakPolarHBondContact OD1-CB 3.44Å; N485-L487 PolarHBondContact OD1-N 3.42Å; L487-P508 WeakPolarHBondContact O-CB 3.29Å; L487-T516 HydrophobicContact CD1-CG2 3.81Å; L487-Y518 HydrophobicContact CB-CD2 3.9Å; L487-Y518 HydrophobicContact CB-CE2 4.42Å; L487-Y518 HydrophobicContact CB-CG 4.32Å; L487-Y518 HydrophobicContact CD2-CD1 4.18Å; L487-Y518 HydrophobicContact CD2-CD2 4.08Å; L487-Y518 HydrophobicContact CD2-CE1 4.35Å; L487-Y518 HydrophobicContact CD2-CE2 4.21Å; L487-Y518 HydrophobicContact CD2-CG 4.03Å; L487-Y518 VanDerWaalsContact O-CD2 3.24Å; L487-Y518 WeakPolarHBondContact O-CD2 3.37Å; L487-Y518 WeakPolarHBondContact O-CE2 3.34Å
488	D	98.1	Very high	95	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.011	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-31.9	177.9	-59.9	-53.8	0	0	0	111.5	C481 P482 N485 Y502 P508 S509	C481-D488 HydrophobicContact CB-CB 4.14Å; P482-D488 VanDerWaalsContact CD-OD2 3.31Å; P482-D488 WeakPolarHBondContact CD-OD2 3.24Å; P482-D488 WeakPolarHBondContact CG-OD2 3.28Å; N485-D488 HydrophobicContact CB-CB 4.42Å; N485-D488 VanDerWaalsContact CB-OD2 3.32Å; N485-D488 WeakPolarHBondContact CB-OD2 3.49Å; N485-D488 PolarHBondContact O-N 2.8Å; D488-Y502 HydrophobicContact CB-CD1 4.4Å; D488-Y502 HydrophobicContact CB-CE1 4.35Å; D488-Y502 WeakPolarHBondContact O-CE1 3.45Å; D488-P508 WeakPolarHBondContact OD1-CD 3.25Å; D488-P508 VanDerWaalsContact OD1-N 3.12Å; D488-S509 VanDerWaalsContact CG-OG 3.3Å; D488-S509 PolarHBondContact OD1-N 3.06Å; D488-S509 PolarHBondContact OD1-OG 2.91Å; D488-S509 WeakPolarHBondContact OD2-CB 3.39Å; D488-S509 PolarHBondContact OD2-OG 2.93Å
489	N	96.8	Very high	94.8	Very high	69 Å²	69	48.8 Å²	48.8	37%	0.369	31%	0.309	S	S	.	.	S	Bend	trans	-129.7	72.9	-180	-54.1	-84.6	0	0	0	110	S483 N485 T486	S483-N489 PolarHBondContact O-ND2 2.63Å; N485-N489 PolarHBondContact O-N 3.39Å; T486-N489 CarbonylContact O-C 3.56Å
490	P	96	Very high	94.8	Very high	12 Å²	12	46.1 Å²	46.1	8%	0.078	29%	0.291	C	S	.	.			trans	-68.4	158.4	-177.6	31.8	-39.3	0	0	0	112.3	I279 T486 Y492 V493 L501 Y518	I279-P490 HydrophobicContact CD1-CG 4.48Å; T486-P490 WeakPolarHBondContact O-CA 3.43Å; P490-Y492 VanDerWaalsContact CG-O 3.26Å; P490-Y492 WeakPolarHBondContact CG-O 3.47Å; P490-Y492 PolarHBondContact O-N 2.98Å; P490-V493 HydrophobicContact CG-CG2 3.97Å; P490-L501 HydrophobicContact CG-CD1 3.81Å; P490-L501 HydrophobicContact CG-CG 4.28Å; P490-Y518 HydrophobicContact CB-CE2 4.44Å
491	P	93.3	Very high	94.9	Very high	61 Å²	61	44.8 Å²	44.8	40%	0.396	28%	0.277	S	S	.	.	S	Bend	trans	-63	-21.8	177.8	26.2	-35.2	0	0	0	113.4	N39 Y99 Q189	N39-P491 PolarHBondContact ND2-O 2.83Å; N39-P491 VanDerWaalsContact ND2-O 3.11Å; Y99-P491 HydrophobicContact CE1-CB 4.32Å; Q189-P491 HydrophobicContact CB-CG 4.12Å
492	Y	94.8	Very high	94.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	28%	0.28	C	S	.	.			trans	-129.3	129.2	172.5	177	-107	0	0	0	109.5	P38 F190 E265 R277 I279 P490 P494	P38-Y492 HydrophobicContact CB-CE2 3.92Å; P38-Y492 HydrophobicContact CG-CD2 4.31Å; P38-Y492 HydrophobicContact CG-CE2 3.64Å; F190-Y492 AromaticContact CD2-CD1 3.64Å; F190-Y492 HydrophobicContact CD2-CD1 3.64Å; F190-Y492 HydrophobicContact CD2-CD2 4.32Å; F190-Y492 HydrophobicContact CD2-CE1 4.35Å; F190-Y492 AromaticContact CD2-CG 3.61Å; F190-Y492 HydrophobicContact CD2-CG 3.61Å; F190-Y492 AromaticContact CE2-CD1 3.69Å; F190-Y492 HydrophobicContact CE2-CD1 3.69Å; F190-Y492 AromaticContact CE2-CD2 3.97Å; F190-Y492 HydrophobicContact CE2-CD2 3.97Å; F190-Y492 AromaticContact CE2-CE1 3.99Å; F190-Y492 HydrophobicContact CE2-CE1 3.99Å; F190-Y492 HydrophobicContact CE2-CE2 4.26Å; F190-Y492 AromaticContact CE2-CG 3.68Å; F190-Y492 HydrophobicContact CE2-CG 3.68Å; E265-Y492 PolarHBondContact OE1-OH 3.14Å; E265-Y492 PolarHBondContact OE2-OH 3.35Å; R277-Y492 HydrophobicContact CB-CE1 4.22Å; I279-Y492 HydrophobicContact CG2-CD1 3.8Å; I279-Y492 WeakPolarHBondContact CG2-O 3.44Å; P490-Y492 VanDerWaalsContact CG-O 3.26Å; P490-Y492 WeakPolarHBondContact CG-O 3.47Å; P490-Y492 PolarHBondContact O-N 2.98Å; Y492-P494 HydrophobicContact CD1-CG 4.43Å; Y492-P494 HydrophobicContact CE1-CB 4.37Å; Y492-P494 HydrophobicContact CE1-CG 3.98Å
493	V	96	Very high	95	Very high	36 Å²	36	47.3 Å²	47.3	22%	0.218	28%	0.284	C	S	.	.			trans	-112.5	120.4	170.3	-175.8	0	0	0	0	106.4	P490 I496 L501	P490-V493 HydrophobicContact CG-CG2 3.97Å; V493-I496 HydrophobicContact CG1-CD1 3.92Å; V493-I496 HydrophobicContact CG1-CG1 4.01Å; V493-L501 HydrophobicContact CG1-CD2 4.47Å
494	P	95.3	Very high	95.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.263	C	S	.	.			trans	-53.1	162.3	170.2	-25.7	35.4	0	0	0	111.3	A223 A263 E265 I279 Y492 I496	A223-P494 HydrophobicContact CB-CB 4.05Å; A263-P494 HydrophobicContact CB-CG 4.01Å; E265-P494 HydrophobicContact CB-CB 4.18Å; I279-P494 HydrophobicContact CG2-CG 4.15Å; Y492-P494 HydrophobicContact CD1-CG 4.43Å; Y492-P494 HydrophobicContact CE1-CB 4.37Å; Y492-P494 HydrophobicContact CE1-CG 3.98Å; P494-I496 HydrophobicContact CB-CG2 4.26Å; P494-I496 PolarHBondContact O-N 2.79Å
495	K	91.7	Very high	95.5	Very high	118 Å²	118	40.4 Å²	40.4	51%	0.513	23%	0.226	S	C	.	.	S	Bend	trans	-72.1	56.7	179.5	-163.3	-172.1	175.7	-172	0	113.3	A223 E265	A223-K495 VanDerWaalsContact CB-C 3.47Å; A223-K495 WeakPolarHBondContact CB-O 3.42Å; E265-K495 WeakPolarHBondContact OE2-CB 3.36Å; E265-K495 PolarHBondContact OE2-N 3.23Å
496	I	93.6	Very high	95.6	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.041	22%	0.215	C	C	.	.			trans	-80.3	155.7	177.3	58.1	179.2	0	0	0	111.5	A223 W225 N236 V493 P494 N499 S500 L501	A223-I496 HydrophobicContact CB-CB 4.4Å; A223-I496 HydrophobicContact CB-CG2 3.53Å; W225-I496 HydrophobicContact CB-CG2 3.64Å; W225-I496 HydrophobicContact CG-CG2 4.29Å; N236-I496 WeakPolarHBondContact OD1-CA 3.43Å; V493-I496 HydrophobicContact CG1-CD1 3.92Å; V493-I496 HydrophobicContact CG1-CG1 4.01Å; P494-I496 HydrophobicContact CB-CG2 4.26Å; P494-I496 PolarHBondContact O-N 2.79Å; I496-N499 PolarHBondContact O-N 2.92Å; I496-S500 VanDerWaalsContact CD1-C 3.46Å; I496-S500 VanDerWaalsContact CD1-O 3.25Å; I496-S500 WeakPolarHBondContact CD1-O 3.35Å; I496-L501 HydrophobicContact CD1-CD2 3.76Å
497	L	91.2	Very high	95.7	Very high	43 Å²	43	34.6 Å²	34.6	23%	0.225	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-54.4	144.6	166.4	-71.8	179.3	0	0	0	111	A235 N236 N499	A235-L497 HydrophobicContact CB-CD1 3.63Å; A235-L497 HydrophobicContact CB-CD2 3.91Å; A235-L497 HydrophobicContact CB-CG 3.73Å; N236-L497 PolarHBondContact OD1-N 3.34Å; L497-N499 PolarHBondContact O-N 2.99Å
498	G	90.7	Very high	95.7	Very high	56 Å²	56	32.8 Å²	32.8	58%	0.577	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	71.1	-12	-176.6	0	0	0	0	0	115.5	S500 D503	G498-S500 PolarHBondContact O-N 2.84Å; G498-D503 WeakPolarHBondContact CA-OD2 3.44Å
499	N	93	Very high	95.8	Very high	85 Å²	85	32.8 Å²	32.8	46%	0.455	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	57.7	24.6	-179.7	-124.1	20.9	0	0	0	113.7	I496 L497	I496-N499 PolarHBondContact O-N 2.92Å; L497-N499 PolarHBondContact O-N 2.99Å
500	S	95.5	Very high	95.8	Very high	24 Å²	24	29.5 Å²	29.5	17%	0.168	17%	0.165	C	C	.	.	S	Bend	trans	-144.4	136.5	-179.6	176.3	0	0	0	0	110.1	I496 G498 Y502 D503	I496-S500 VanDerWaalsContact CD1-C 3.46Å; I496-S500 VanDerWaalsContact CD1-O 3.25Å; I496-S500 WeakPolarHBondContact CD1-O 3.35Å; G498-S500 PolarHBondContact O-N 2.84Å; S500-Y502 PolarHBondContact O-N 2.83Å; S500-Y502 WeakPolarHBondContact OG-CD1 3.39Å; S500-Y502 VanDerWaalsContact OG-CE1 3.25Å; S500-Y502 WeakPolarHBondContact OG-CE1 3.33Å; S500-Y502 WeakPolarHBondContact OG-CE2 3.45Å; S500-Y502 VanDerWaalsContact OG-CZ 3.27Å; S500-D503 PolarHBondContact O-N 3.08Å
501	L	97.7	Very high	96	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.5	-178.6	-66.1	-171.5	0	0	0	113.6	W225 A263 I279 P490 V493 I496 T505 P508 Y518	W225-L501 HydrophobicContact CZ2-CB 4.31Å; W225-L501 PolarHBondContact NE1-O 2.81Å; A263-L501 HydrophobicContact CB-CD2 3.63Å; I279-L501 HydrophobicContact CD1-CD1 3.56Å; I279-L501 HydrophobicContact CD1-CD2 4.09Å; I279-L501 HydrophobicContact CD1-CG 4.46Å; P490-L501 HydrophobicContact CG-CD1 3.81Å; P490-L501 HydrophobicContact CG-CG 4.28Å; V493-L501 HydrophobicContact CG1-CD2 4.47Å; I496-L501 HydrophobicContact CD1-CD2 3.76Å; L501-T505 VanDerWaalsContact O-CG2 3.24Å; L501-T505 WeakPolarHBondContact O-CG2 3.47Å; L501-P508 HydrophobicContact CB-CG 3.48Å; L501-P508 VanDerWaalsContact CB-CG 3.48Å; L501-P508 HydrophobicContact CD1-CB 4.38Å; L501-P508 HydrophobicContact CD1-CG 3.99Å; L501-P508 HydrophobicContact CG-CG 4.42Å; L501-Y518 HydrophobicContact CD1-CD2 3.93Å; L501-Y518 HydrophobicContact CD1-CE2 3.8Å
502	Y	97.6	Very high	96.2	Very high	54 Å²	54	29.9 Å²	29.9	21%	0.212	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	11.1	179.4	52.3	-92.9	0	0	0	112.8	S475 G476 C481 D488 S500 K504 T505	S475-Y502 CarbonylContact C-O 3.55Å; S475-Y502 WeakPolarHBondContact CA-O 3.46Å; S475-Y502 WeakPolarHBondContact CB-O 3.18Å; G476-Y502 PolarHBondContact N-O 3.22Å; G476-Y502 VanDerWaalsContact N-O 3.09Å; C481-Y502 HydrophobicContact CB-CD1 4.34Å; C481-Y502 HydrophobicContact CB-CE1 4.37Å; D488-Y502 HydrophobicContact CB-CD1 4.4Å; D488-Y502 HydrophobicContact CB-CE1 4.35Å; D488-Y502 WeakPolarHBondContact O-CE1 3.45Å; S500-Y502 PolarHBondContact O-N 2.83Å; S500-Y502 WeakPolarHBondContact OG-CD1 3.39Å; S500-Y502 VanDerWaalsContact OG-CE1 3.25Å; S500-Y502 WeakPolarHBondContact OG-CE1 3.33Å; S500-Y502 WeakPolarHBondContact OG-CE2 3.45Å; S500-Y502 VanDerWaalsContact OG-CZ 3.27Å; Y502-K504 PolarHBondContact O-N 3.17Å; Y502-T505 PolarHBondContact O-N 3.4Å
503	D	96.9	Very high	96.3	Very high	42 Å²	42	35.6 Å²	35.6	23%	0.225	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	130.6	169.9	-170.4	46.1	0	0	0	109.9	H227 S475 G498 S500 T505	H227-D503 IonicContact CE1-OD2 3.73Å; S475-D503 PolarHBondContact OG-OD1 2.92Å; G498-D503 WeakPolarHBondContact CA-OD2 3.44Å; S500-D503 PolarHBondContact O-N 3.08Å; D503-T505 PolarHBondContact O-N 2.85Å
504	K	97.3	Very high	96.2	Very high	73 Å²	73	40.3 Å²	40.3	32%	0.317	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	17	-177	-75.4	-78.6	-158.9	146.5	0	116.1	D228 A471 N472 Y502	D228-K504 IonicContact OD2-NZ 3.14Å; D228-K504 PolarHBondContact OD2-NZ 3.28Å; A471-K504 CarbonylContact C-O 3.52Å; A471-K504 WeakPolarHBondContact CA-O 3.45Å; N472-K504 PolarHBondContact N-O 2.77Å; N472-K504 CarbonylContact O-C 3.48Å; N472-K504 WeakPolarHBondContact O-CA 3.24Å; Y502-K504 PolarHBondContact O-N 3.17Å
505	T	98.7	Very high	96.3	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.012	22%	0.216	C	C	.	.	S	Bend	trans	-147.6	-173.5	178.7	-166.9	0	0	0	0	111.5	P470 G476 L501 Y502 D503 H521	P470-T505 WeakPolarHBondContact O-CA 3.32Å; P470-T505 VanDerWaalsContact O-CB 3.31Å; P470-T505 WeakPolarHBondContact O-CB 3.47Å; P470-T505 PolarHBondContact O-OG1 3.17Å; G476-T505 VanDerWaalsContact CA-O 3.31Å; G476-T505 WeakPolarHBondContact CA-O 3.32Å; G476-T505 PolarHBondContact N-O 3.48Å; L501-T505 VanDerWaalsContact O-CG2 3.24Å; L501-T505 WeakPolarHBondContact O-CG2 3.47Å; Y502-T505 PolarHBondContact O-N 3.4Å; D503-T505 PolarHBondContact O-N 2.85Å; T505-H521 PolarHBondContact OG1-CE1 3.37Å; T505-H521 PolarHBondContact OG1-ND1 3.44Å
506	I	98.7	Very high	96.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-84.9	166.4	179.5	65.8	175.8	0	0	0	112.6	I415 I424 F435 P470 N472 G476 P508 A510 H517	I415-I506 HydrophobicContact CB-CD1 4.42Å; I415-I506 HydrophobicContact CD1-CD1 3.64Å; I415-I506 HydrophobicContact CG2-CD1 3.94Å; I424-I506 HydrophobicContact CD1-CB 4.23Å; I424-I506 HydrophobicContact CG2-CD1 4.41Å; F435-I506 HydrophobicContact CD1-CG2 4.25Å; F435-I506 HydrophobicContact CD2-CG2 3.66Å; F435-I506 HydrophobicContact CE1-CG2 4.08Å; F435-I506 HydrophobicContact CE2-CG2 3.46Å; F435-I506 VanDerWaalsContact CE2-CG2 3.46Å; F435-I506 HydrophobicContact CG-CG2 4.05Å; F435-I506 HydrophobicContact CZ-CG2 3.69Å; P470-I506 HydrophobicContact CG-CD1 4.35Å; P470-I506 HydrophobicContact CG-CG1 4.31Å; N472-I506 HydrophobicContact CB-CG2 4.44Å; G476-I506 VanDerWaalsContact O-CA 3.24Å; G476-I506 WeakPolarHBondContact O-CA 3.33Å; I506-P508 WeakPolarHBondContact O-CD 3.42Å; I506-A510 HydrophobicContact CD1-CB 4.47Å; I506-H517 VanDerWaalsContact CG1-CD2 3.41Å; I506-H517 WeakPolarHBondContact CG1-CD2 3.29Å; I506-H517 WeakPolarHBondContact CG1-NE2 3.17Å
507	C	98.8	Very high	96.9	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.014	20%	0.197	C	C	.	.			trans	-60	128	-178.9	-62.5	0	0	0	0	112	I424 G476 C481 S509 A510	I424-C507 HydrophobicContact CD1-CB 4.05Å; G476-C507 PolarHBondContact O-N 3.43Å; C481-C507 WeakPolarHBondContact CA-SG 3.43Å; C481-C507 HydrophobicContact CB-CB 3.94Å; C481-C507 WeakPolarHBondContact CB-SG 3.47Å; C481-C507 WeakPolarHBondContact SG-CA 3.11Å; C481-C507 WeakPolarHBondContact SG-CB 3.19Å; C481-C507 CovalentContact SG-SG 2.04Å; C481-C507 PolarHBondContact SG-SG 2.58Å; C507-S509 PolarHBondContact O-N 2.62Å; C507-S509 VanDerWaalsContact O-N 3.14Å; C507-A510 WeakPolarHBondContact O-CB 3.27Å; C507-A510 PolarHBondContact O-N 2.93Å
508	P	98.7	Very high	97.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-32.1	173.7	-28.5	29.1	0	0	0	114.3	L487 D488 L501 I506 A510 H517 Y518	L487-P508 WeakPolarHBondContact O-CB 3.29Å; D488-P508 WeakPolarHBondContact OD1-CD 3.25Å; D488-P508 VanDerWaalsContact OD1-N 3.12Å; L501-P508 HydrophobicContact CB-CG 3.48Å; L501-P508 VanDerWaalsContact CB-CG 3.48Å; L501-P508 HydrophobicContact CD1-CB 4.38Å; L501-P508 HydrophobicContact CD1-CG 3.99Å; L501-P508 HydrophobicContact CG-CG 4.42Å; I506-P508 WeakPolarHBondContact O-CD 3.42Å; P508-A510 PolarHBondContact O-N 3.09Å; P508-H517 CarbonylContact O-C 3.47Å; P508-H517 PolarHBondContact O-N 2.98Å; P508-Y518 HydrophobicContact CB-CD2 3.89Å; P508-Y518 HydrophobicContact CB-CG 4.45Å; P508-Y518 WeakPolarHBondContact O-CB 3.37Å; P508-Y518 PolarHBondContact O-N 3.01Å
509	S	98.6	Very high	97.6	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.014	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-8.4	176.2	67.9	0	0	0	0	114.5	S418 N485 D488 C507	S418-S509 WeakPolarHBondContact CB-O 3.41Å; S418-S509 PolarHBondContact OG-OG 3.38Å; N485-S509 WeakPolarHBondContact ND2-CB 3.17Å; D488-S509 VanDerWaalsContact CG-OG 3.3Å; D488-S509 PolarHBondContact OD1-N 3.06Å; D488-S509 PolarHBondContact OD1-OG 2.91Å; D488-S509 WeakPolarHBondContact OD2-CB 3.39Å; D488-S509 PolarHBondContact OD2-OG 2.93Å; C507-S509 PolarHBondContact O-N 2.62Å; C507-S509 VanDerWaalsContact O-N 3.14Å
510	A	98.7	Very high	97.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.			trans	-58	144.7	179.2	0	0	0	0	0	111.5	I415 N416 I424 I506 C507 P508 T516 H517	I415-A510 HydrophobicContact CG2-CB 3.67Å; N416-A510 CarbonylContact O-C 3.55Å; N416-A510 WeakPolarHBondContact O-CA 3.41Å; I424-A510 HydrophobicContact CD1-CB 3.86Å; I506-A510 HydrophobicContact CD1-CB 4.47Å; C507-A510 WeakPolarHBondContact O-CB 3.27Å; C507-A510 PolarHBondContact O-N 2.93Å; P508-A510 PolarHBondContact O-N 3.09Å; A510-T516 CarbonylContact O-C 3.51Å; A510-T516 VanDerWaalsContact O-CA 3.28Å; A510-T516 WeakPolarHBondContact O-CA 3.38Å; A510-H517 HydrophobicContact CB-CB 4.19Å; A510-H517 PolarHBondContact O-N 2.97Å
511	L	98.6	Very high	98	Very high	69 Å²	69	28.3 Å²	28.3	36%	0.361	14%	0.137	S	C	.	.	B	Isolated β-bridge	trans	-97.5	115.4	-167.6	-56.4	176.1	0	0	0	110.3	N416 T516	N416-L511 HydrophobicContact CB-CB 4.32Å; N416-L511 PolarHBondContact N-O 3.44Å; N416-L511 PolarHBondContact O-N 2.82Å; L511-T516 HydrophobicContact CD2-CG2 4.21Å
512	H	98.5	Very high	98	Very high	13 Å²	13	28.3 Å²	28.3	6%	0.06	14%	0.137	C	C	.	.			trans	-84.3	176.8	161	-69.6	-110.3	0	0	0	109.5	I415 D437 N514 T515 H517 M520	I415-H512 WeakPolarHBondContact CD1-CE1 3.48Å; D437-H512 IonicContact OD1-CE1 2.71Å; D437-H512 IonicContact OD1-CG 2.85Å; D437-H512 IonicContact OD1-ND1 3.75Å; D437-H512 PolarHBondContact OD1-ND1 2.04Å; D437-H512 WeakPolarHBondContact OD2-CA 3.32Å; D437-H512 IonicContact OD2-ND1 3.49Å; H512-N514 VanDerWaalsContact C-N 3.31Å; H512-N514 PolarHBondContact O-N 2.88Å; H512-T515 CarbonylContact C-O 3.57Å; H512-T515 WeakPolarHBondContact CA-O 3.47Å; H512-T515 HydrophobicContact CB-CG2 4.37Å; H512-T515 WeakPolarHBondContact CB-O 3.33Å; H512-T515 PolarHBondContact N-O 3.35Å; H512-H517 PolarHBondContact CD2-N 2.92Å; H512-H517 AromaticContact CE1-ND1 3.78Å; H512-H517 AromaticContact NE2-CG 3.67Å; H512-H517 AromaticContact NE2-ND1 2.93Å; H512-H517 PolarHBondContact NE2-ND1 3.02Å; H512-M520 HydrophobicContact CB-CG 4.23Å
513	Y	96.8	Very high	98.1	Very high	120 Å²	120	25.8 Å²	25.8	47%	0.471	13%	0.127	S	C	.	.	S	Bend	trans	-53	-44.5	-176	-178.5	-113.9	0	0	0	113.2	D437 H440 P441	D437-Y513 WeakPolarHBondContact OD2-CB 3.45Å; D437-Y513 PolarHBondContact OD2-N 2.78Å; H440-Y513 AromaticContact CD2-CD2 3.24Å; H440-Y513 WeakPolarHBondContact CD2-CD2 3.39Å; H440-Y513 AromaticContact CD2-CE2 3.93Å; H440-Y513 AromaticContact CD2-CG 3.84Å; H440-Y513 AromaticContact NE2-CD2 3.57Å; H440-Y513 AromaticContact NE2-CE2 3.78Å; P441-Y513 HydrophobicContact CG-CE1 4.09Å; P441-Y513 HydrophobicContact CG-CE2 4.35Å
514	N	93.8	Very high	98.2	Very high	134 Å²	134	23.9 Å²	23.9	72%	0.717	12%	0.117	S	C	*	.	S	Bend	trans	-122.8	-1	-175.6	-73.4	-27.7	0	0	0	114.8	H512	H512-N514 VanDerWaalsContact C-N 3.31Å; H512-N514 PolarHBondContact O-N 2.88Å
515	T	97.5	Very high	98.2	Very high	24 Å²	24	20.4 Å²	20.4	15%	0.147	10%	0.102	C	C	.	.	S	Bend	trans	-163.1	-173.8	-170.6	-170.4	0	0	0	0	110.6	W131 H512 N519 M520	W131-T515 HydrophobicContact CE3-CG2 4.31Å; W131-T515 HydrophobicContact CH2-CG2 3.85Å; W131-T515 HydrophobicContact CZ3-CG2 3.63Å; H512-T515 CarbonylContact C-O 3.57Å; H512-T515 WeakPolarHBondContact CA-O 3.47Å; H512-T515 HydrophobicContact CB-CG2 4.37Å; H512-T515 WeakPolarHBondContact CB-O 3.33Å; H512-T515 PolarHBondContact N-O 3.35Å; T515-N519 PolarHBondContact OG1-ND2 2.92Å; T515-M520 HydrophobicContact CG2-CG 3.19Å; T515-M520 HydrophobicContact CG2-SD 3.52Å; T515-M520 VanDerWaalsContact CG2-SD 3.52Å
516	T	98.3	Very high	98.2	Very high	26 Å²	26	20.5 Å²	20.5	16%	0.16	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-101	159.3	177.8	57.1	0	0	0	0	112	L487 A510 L511 Y518 N519 M520	L487-T516 HydrophobicContact CD1-CG2 3.81Å; A510-T516 CarbonylContact O-C 3.51Å; A510-T516 VanDerWaalsContact O-CA 3.28Å; A510-T516 WeakPolarHBondContact O-CA 3.38Å; L511-T516 HydrophobicContact CD2-CG2 4.21Å; T516-Y518 PolarHBondContact O-N 2.84Å; T516-N519 PolarHBondContact O-N 2.84Å; T516-M520 PolarHBondContact O-N 2.88Å
517	H	98.8	Very high	98.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.9	-29.8	175.9	-166.6	64.9	0	0	0	112.2	P470 I506 P508 A510 H512 N519 M520 H521	P470-H517 VanDerWaalsContact CD-CE1 3.47Å; P470-H517 WeakPolarHBondContact CD-CE1 3.17Å; I506-H517 VanDerWaalsContact CG1-CD2 3.41Å; I506-H517 WeakPolarHBondContact CG1-CD2 3.29Å; I506-H517 WeakPolarHBondContact CG1-NE2 3.17Å; P508-H517 CarbonylContact O-C 3.47Å; P508-H517 PolarHBondContact O-N 2.98Å; A510-H517 HydrophobicContact CB-CB 4.19Å; A510-H517 PolarHBondContact O-N 2.97Å; H512-H517 PolarHBondContact CD2-N 2.92Å; H512-H517 AromaticContact CE1-ND1 3.78Å; H512-H517 AromaticContact NE2-CG 3.67Å; H512-H517 AromaticContact NE2-ND1 2.93Å; H512-H517 PolarHBondContact NE2-ND1 3.02Å; H517-N519 PolarHBondContact O-N 3.45Å; H517-M520 PolarHBondContact O-N 2.97Å; H517-H521 AromaticContact CD2-ND1 3.83Å; H517-H521 AromaticContact CE1-ND1 3.73Å; H517-H521 AromaticContact NE2-CG 3.63Å; H517-H521 AromaticContact NE2-ND1 2.96Å; H517-H521 PolarHBondContact NE2-ND1 3.4Å; H517-H521 VanDerWaalsContact O-CB 3.24Å; H517-H521 WeakPolarHBondContact O-CB 3.47Å; H517-H521 PolarHBondContact O-N 2.85Å
518	Y	98.7	Very high	98.2	Very high	5 Å²	5	21 Å²	21	2%	0.02	10%	0.104	C	C	.	.	H	α-helix	trans	-49.2	-33.5	171.2	-174	-89.7	0	0	0	113.9	Q189 N262 I279 L487 P490 L501 P508 T516	Q189-Y518 PolarHBondContact NE2-OH 3.24Å; N262-Y518 VanDerWaalsContact ND2-CD1 3.27Å; N262-Y518 WeakPolarHBondContact ND2-CD1 3.42Å; N262-Y518 WeakPolarHBondContact ND2-CE1 3.13Å; N262-Y518 PolarHBondContact ND2-O 2.84Å; I279-Y518 WeakPolarHBondContact CB-OH 3.29Å; I279-Y518 HydrophobicContact CD1-CD2 4.17Å; I279-Y518 HydrophobicContact CD1-CE1 4.12Å; I279-Y518 HydrophobicContact CD1-CE2 3.35Å; I279-Y518 WeakPolarHBondContact CD1-OH 3.39Å; I279-Y518 HydrophobicContact CG1-CE1 3.9Å; I279-Y518 HydrophobicContact CG1-CE2 4.02Å; I279-Y518 VanDerWaalsContact CG1-CZ 3.43Å; I279-Y518 WeakPolarHBondContact CG1-OH 3.38Å; I279-Y518 WeakPolarHBondContact O-CE1 3.34Å; I279-Y518 PolarHBondContact O-OH 2.85Å; L487-Y518 HydrophobicContact CB-CD2 3.9Å; L487-Y518 HydrophobicContact CB-CE2 4.42Å; L487-Y518 HydrophobicContact CB-CG 4.32Å; L487-Y518 HydrophobicContact CD2-CD1 4.18Å; L487-Y518 HydrophobicContact CD2-CD2 4.08Å; L487-Y518 HydrophobicContact CD2-CE1 4.35Å; L487-Y518 HydrophobicContact CD2-CE2 4.21Å; L487-Y518 HydrophobicContact CD2-CG 4.03Å; L487-Y518 VanDerWaalsContact O-CD2 3.24Å; L487-Y518 WeakPolarHBondContact O-CD2 3.37Å; L487-Y518 WeakPolarHBondContact O-CE2 3.34Å; P490-Y518 HydrophobicContact CB-CE2 4.44Å; L501-Y518 HydrophobicContact CD1-CD2 3.93Å; L501-Y518 HydrophobicContact CD1-CE2 3.8Å; P508-Y518 HydrophobicContact CB-CD2 3.89Å; P508-Y518 HydrophobicContact CB-CG 4.45Å; P508-Y518 WeakPolarHBondContact O-CB 3.37Å; P508-Y518 PolarHBondContact O-N 3.01Å; T516-Y518 PolarHBondContact O-N 2.84Å
519	N	98.6	Very high	98.2	Very high	23 Å²	23	21 Å²	21	12%	0.123	10%	0.104	C	C	.	.	H	α-helix	trans	-94.2	-35	177.4	-69.8	-32.9	0	0	0	112.4	W131 S261 N262 T515 T516 H517	W131-N519 HydrophobicContact CD2-CB 3.63Å; W131-N519 HydrophobicContact CE3-CB 4.2Å; W131-N519 HydrophobicContact CG-CB 3.74Å; W131-N519 HydrophobicContact CZ2-CB 4.22Å; W131-N519 PolarHBondContact NE1-O 2.88Å; S261-N519 PolarHBondContact OG-O 2.88Å; N262-N519 PolarHBondContact ND2-OD1 3.01Å; T515-N519 PolarHBondContact OG1-ND2 2.92Å; T516-N519 PolarHBondContact O-N 2.84Å; H517-N519 PolarHBondContact O-N 3.45Å
520	M	98.2	Very high	98.2	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.02	11%	0.113	C	C	.	.	H	α-helix	trans	-91.1	-17.3	-171	-67.7	-67.7	-57.8	0	0	115.2	W131 H512 T515 T516 H517 N522 I523 Y524 D527	W131-M520 HydrophobicContact CH2-SD 3.39Å; W131-M520 WeakPolarHBondContact CH2-SD 3.47Å; W131-M520 HydrophobicContact CZ2-SD 3.74Å; W131-M520 HydrophobicContact CZ3-SD 4.39Å; H512-M520 HydrophobicContact CB-CG 4.23Å; T515-M520 HydrophobicContact CG2-CG 3.19Å; T515-M520 HydrophobicContact CG2-SD 3.52Å; T515-M520 VanDerWaalsContact CG2-SD 3.52Å; T516-M520 PolarHBondContact O-N 2.88Å; H517-M520 PolarHBondContact O-N 2.97Å; M520-N522 PolarHBondContact O-N 3.27Å; M520-I523 HydrophobicContact CB-CG1 4.37Å; M520-I523 HydrophobicContact CE-CD1 3.65Å; M520-I523 HydrophobicContact CE-CG1 3.93Å; M520-I523 CarbonylContact O-C 3.45Å; M520-I523 WeakPolarHBondContact O-CA 3.21Å; M520-I523 WeakPolarHBondContact O-CG1 3.25Å; M520-I523 PolarHBondContact O-N 2.84Å; M520-I523 HydrophobicContact SD-CD1 3.54Å; M520-I523 VanDerWaalsContact SD-CD1 3.54Å; M520-I523 HydrophobicContact SD-CG1 4.14Å; M520-Y524 PolarHBondContact O-N 2.9Å; M520-Y524 VanDerWaalsContact O-N 3.08Å; M520-D527 WeakPolarHBondContact CE-OD2 3.29Å
521	H	98.8	Very high	98.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-51.7	-55.8	-169.1	173.7	86.7	0	0	0	112.9	W225 G226 E469 T505 H517 I523 Y524	W225-H521 AromaticContact CD1-NE2 3.85Å; W225-H521 AromaticContact CD2-CD2 3.28Å; W225-H521 AromaticContact CD2-NE2 3.59Å; W225-H521 AromaticContact CE2-CD2 3.25Å; W225-H521 AromaticContact CE2-CE1 3.87Å; W225-H521 AromaticContact CE2-CG 3.64Å; W225-H521 AromaticContact CE2-ND1 3.99Å; W225-H521 AromaticContact CE2-NE2 3.42Å; W225-H521 HydrophobicContact CE3-CB 4.32Å; W225-H521 AromaticContact CE3-CD2 3.34Å; W225-H521 AromaticContact CG-NE2 3.92Å; W225-H521 HydrophobicContact CH2-CB 3.13Å; W225-H521 AromaticContact CH2-CD2 3.52Å; W225-H521 AromaticContact CH2-CG 3.32Å; W225-H521 HydrophobicContact CZ2-CB 3.61Å; W225-H521 AromaticContact CZ2-CD2 3.4Å; W225-H521 WeakPolarHBondContact CZ2-CD2 3.19Å; W225-H521 AromaticContact CZ2-CG 3.27Å; W225-H521 AromaticContact CZ2-ND1 3.7Å; W225-H521 AromaticContact CZ2-NE2 3.89Å; W225-H521 HydrophobicContact CZ3-CB 3.53Å; W225-H521 AromaticContact CZ3-CD2 3.47Å; W225-H521 VanDerWaalsContact CZ3-CD2 3.47Å; W225-H521 WeakPolarHBondContact CZ3-CD2 3.47Å; W225-H521 AromaticContact CZ3-CG 3.7Å; W225-H521 AromaticContact NE1-CD2 3.9Å; W225-H521 AromaticContact NE1-CE1 3.89Å; W225-H521 AromaticContact NE1-NE2 3.55Å; G226-H521 PolarHBondContact N-NE2 2.98Å; G226-H521 PolarHBondContact O-CE1 2.88Å; G226-H521 VanDerWaalsContact O-CE1 3.31Å; G226-H521 PolarHBondContact O-NE2 2.95Å; E469-H521 VanDerWaalsContact O-O 3.06Å; T505-H521 PolarHBondContact OG1-CE1 3.37Å; T505-H521 PolarHBondContact OG1-ND1 3.44Å; H517-H521 AromaticContact CD2-ND1 3.83Å; H517-H521 AromaticContact CE1-ND1 3.73Å; H517-H521 AromaticContact NE2-CG 3.63Å; H517-H521 AromaticContact NE2-ND1 2.96Å; H517-H521 PolarHBondContact NE2-ND1 3.4Å; H517-H521 VanDerWaalsContact O-CB 3.24Å; H517-H521 WeakPolarHBondContact O-CB 3.47Å; H517-H521 PolarHBondContact O-N 2.85Å; H521-I523 PolarHBondContact O-N 2.7Å; H521-Y524 WeakPolarHBondContact O-CB 3.39Å; H521-Y524 PolarHBondContact O-N 3.39Å
522	N	98.7	Very high	98.3	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-66.3	-8	180	-74.4	-28.6	0	0	0	114.8	W225 G226 T240 S261 N262 M520 F553	W225-N522 VanDerWaalsContact CA-OD1 3.3Å; W225-N522 WeakPolarHBondContact CA-OD1 3.43Å; G226-N522 PolarHBondContact N-OD1 3.25Å; T240-N522 HydrophobicContact CG2-CB 4.34Å; T240-N522 VanDerWaalsContact OG1-CG 3.26Å; T240-N522 PolarHBondContact OG1-OD1 3.35Å; T240-N522 VanDerWaalsContact OG1-OD1 3.1Å; S261-N522 WeakPolarHBondContact O-CB 3.49Å; S261-N522 PolarHBondContact O-ND2 3.31Å; N262-N522 PolarHBondContact O-ND2 3.44Å; M520-N522 PolarHBondContact O-N 3.27Å; N522-F553 HydrophobicContact CB-CD2 4.32Å
523	I	98.2	Very high	98.3	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-112.3	5.9	176.2	57.1	172.9	0	0	0	112.7	W131 P134 M520 H521 Y526 D527 F553	W131-I523 HydrophobicContact CH2-CD1 4.45Å; W131-I523 HydrophobicContact CZ2-CD1 3.85Å; P134-I523 HydrophobicContact CG-CD1 4.49Å; M520-I523 HydrophobicContact CB-CG1 4.37Å; M520-I523 HydrophobicContact CE-CD1 3.65Å; M520-I523 HydrophobicContact CE-CG1 3.93Å; M520-I523 CarbonylContact O-C 3.45Å; M520-I523 WeakPolarHBondContact O-CA 3.21Å; M520-I523 WeakPolarHBondContact O-CG1 3.25Å; M520-I523 PolarHBondContact O-N 2.84Å; M520-I523 HydrophobicContact SD-CD1 3.54Å; M520-I523 VanDerWaalsContact SD-CD1 3.54Å; M520-I523 HydrophobicContact SD-CG1 4.14Å; H521-I523 PolarHBondContact O-N 2.7Å; I523-Y526 WeakPolarHBondContact O-CB 3.15Å; I523-Y526 PolarHBondContact O-N 2.94Å; I523-D527 PolarHBondContact O-N 3.48Å; I523-F553 HydrophobicContact CG2-CB 4.09Å; I523-F553 HydrophobicContact CG2-CD1 3.67Å; I523-F553 HydrophobicContact CG2-CD2 4.03Å; I523-F553 HydrophobicContact CG2-CE1 4.05Å; I523-F553 HydrophobicContact CG2-CE2 4.39Å; I523-F553 HydrophobicContact CG2-CG 3.66Å; I523-F553 HydrophobicContact CG2-CZ 4.4Å
524	Y	98.8	Very high	98.3	Very high	3 Å²	3	18.2 Å²	18.2	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-60.2	-51.7	176.5	-171.3	-85.9	0	0	0	111.7	P392 I415 P436 F438 N468 P470 M520 H521 Y526 D527 M528	P392-Y524 HydrophobicContact CB-CE1 3.72Å; P392-Y524 WeakPolarHBondContact CB-OH 3.47Å; P392-Y524 HydrophobicContact CG-CE1 3.98Å; I415-Y524 HydrophobicContact CD1-CD2 4.28Å; I415-Y524 HydrophobicContact CD1-CE2 3.76Å; P436-Y524 WeakPolarHBondContact O-CE2 3.33Å; P436-Y524 PolarHBondContact O-OH 3.31Å; F438-Y524 HydrophobicContact CD2-CE1 4.11Å; F438-Y524 HydrophobicContact CD2-CE2 4.27Å; F438-Y524 AromaticContact CD2-CZ 3.84Å; F438-Y524 AromaticContact CE2-CE1 3.99Å; F438-Y524 HydrophobicContact CE2-CE1 3.99Å; F438-Y524 AromaticContact CE2-CZ 3.82Å; F438-Y524 WeakPolarHBondContact CE2-OH 3.42Å; N468-Y524 HydrophobicContact CB-CD1 4.32Å; N468-Y524 HydrophobicContact CB-CE1 4.41Å; N468-Y524 WeakPolarHBondContact O-CD1 3.4Å; P470-Y524 HydrophobicContact CB-CD1 3.81Å; P470-Y524 HydrophobicContact CB-CD2 4.47Å; P470-Y524 HydrophobicContact CB-CE1 3.71Å; P470-Y524 HydrophobicContact CB-CE2 4.39Å; P470-Y524 HydrophobicContact CB-CG 4.19Å; P470-Y524 HydrophobicContact CG-CD1 4.15Å; P470-Y524 HydrophobicContact CG-CD2 4.04Å; P470-Y524 HydrophobicContact CG-CE1 4.32Å; P470-Y524 HydrophobicContact CG-CE2 4.23Å; P470-Y524 HydrophobicContact CG-CG 4Å; M520-Y524 PolarHBondContact O-N 2.9Å; M520-Y524 VanDerWaalsContact O-N 3.08Å; H521-Y524 WeakPolarHBondContact O-CB 3.39Å; H521-Y524 PolarHBondContact O-N 3.39Å; Y524-Y526 VanDerWaalsContact C-N 3.33Å; Y524-Y526 PolarHBondContact O-N 2.9Å; Y524-D527 PolarHBondContact O-N 2.83Å; Y524-M528 PolarHBondContact O-N 3.48Å
525	G	98.7	Very high	98.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-62.9	-38	176	0	0	0	0	0	112.9	N468 M528 A529	N468-G525 VanDerWaalsContact O-CA 3.29Å; N468-G525 WeakPolarHBondContact O-CA 3.32Å; N468-G525 PolarHBondContact O-N 3.42Å; N468-G525 VanDerWaalsContact O-N 3.13Å; G525-M528 PolarHBondContact O-N 2.86Å; G525-A529 WeakPolarHBondContact O-CB 3.46Å; G525-A529 PolarHBondContact O-N 3.03Å
526	Y	98.7	Very high	98.6	Very high	4 Å²	4	11 Å²	11	2%	0.016	5%	0.053	C	C	.	.	H	α-helix	trans	-59	-49.2	173.7	172.5	-85.1	0	0	0	111.8	I135 P136 I523 Y524 A529 R530 F553 Y559	I135-Y526 HydrophobicContact CG2-CD1 4.38Å; I135-Y526 HydrophobicContact CG2-CE1 3.88Å; I135-Y526 HydrophobicContact CG2-CE2 4.18Å; P136-Y526 WeakPolarHBondContact CD-OH 3.34Å; I523-Y526 WeakPolarHBondContact O-CB 3.15Å; I523-Y526 PolarHBondContact O-N 2.94Å; Y524-Y526 VanDerWaalsContact C-N 3.33Å; Y524-Y526 PolarHBondContact O-N 2.9Å; Y526-A529 PolarHBondContact O-N 3.07Å; Y526-R530 WeakPolarHBondContact O-CB 3.32Å; Y526-R530 PolarHBondContact O-N 3.25Å; Y526-F553 HydrophobicContact CD2-CB 4.31Å; Y526-F553 HydrophobicContact CG-CB 4.41Å; Y526-Y559 HydrophobicContact CE1-CE2 4.42Å; Y526-Y559 HydrophobicContact CE2-CD2 4.23Å; Y526-Y559 AromaticContact CE2-CE2 3.69Å; Y526-Y559 HydrophobicContact CE2-CE2 3.69Å; Y526-Y559 AromaticContact CZ-CE2 3.61Å; Y526-Y559 WeakPolarHBondContact OH-CE2 3.3Å; Y526-Y559 PolarHBondContact OH-OH 3.31Å
527	D	98.6	Very high	98.6	Very high	11 Å²	11	12.2 Å²	12.2	6%	0.059	6%	0.061	C	C	.	.	H	α-helix	trans	-68.4	-38.9	-179.5	-91.2	-24.4	0	0	0	111.8	F438 M520 I523 Y524 A529 R530 V531	F438-D527 HydrophobicContact CB-CB 3.75Å; M520-D527 WeakPolarHBondContact CE-OD2 3.29Å; I523-D527 PolarHBondContact O-N 3.48Å; Y524-D527 PolarHBondContact O-N 2.83Å; D527-A529 VanDerWaalsContact C-N 3.34Å; D527-A529 PolarHBondContact O-N 2.7Å; D527-R530 PolarHBondContact O-N 3.45Å; D527-R530 IonicContact OD1-CZ 2.82Å; D527-R530 IonicContact OD1-NE 3.66Å; D527-R530 PolarHBondContact OD1-NE 3.46Å; D527-R530 IonicContact OD1-NH2 3.94Å; D527-R530 PolarHBondContact OD1-NH2 3.47Å; D527-V531 WeakPolarHBondContact O-CB 3.33Å; D527-V531 WeakPolarHBondContact O-CG2 3.31Å; D527-V531 PolarHBondContact O-N 3.13Å
528	M	98.8	Very high	98.5	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.3	-43.7	172.9	-172.9	-179.7	-174.7	0	0	111.5	P392 F438 W447 I465 N468 Y524 G525 T532	P392-M528 HydrophobicContact CB-CE 4.06Å; P392-M528 HydrophobicContact CB-SD 3.92Å; P392-M528 HydrophobicContact CG-SD 4.36Å; F438-M528 HydrophobicContact CD2-CB 3.67Å; F438-M528 HydrophobicContact CD2-CG 4.05Å; F438-M528 HydrophobicContact CE1-CG 4.09Å; F438-M528 HydrophobicContact CE2-CB 3.72Å; F438-M528 HydrophobicContact CE2-CG 3.57Å; F438-M528 HydrophobicContact CE2-SD 3.94Å; F438-M528 HydrophobicContact CG-CB 4.1Å; F438-M528 HydrophobicContact CZ-CB 4.17Å; F438-M528 HydrophobicContact CZ-CE 4.19Å; F438-M528 HydrophobicContact CZ-CG 3.59Å; F438-M528 HydrophobicContact CZ-SD 4.12Å; W447-M528 HydrophobicContact CH2-CE 4.07Å; W447-M528 HydrophobicContact CZ2-CE 3.88Å; I465-M528 HydrophobicContact CB-CE 3.67Å; I465-M528 HydrophobicContact CB-CG 4.48Å; I465-M528 HydrophobicContact CB-SD 3.97Å; I465-M528 HydrophobicContact CD1-CB 4.38Å; I465-M528 HydrophobicContact CD1-CG 3.96Å; I465-M528 HydrophobicContact CD1-SD 4.36Å; I465-M528 HydrophobicContact CG2-CE 3.65Å; I465-M528 HydrophobicContact CG2-SD 4.43Å; N468-M528 HydrophobicContact CB-SD 3.52Å; N468-M528 VanDerWaalsContact CB-SD 3.52Å; Y524-M528 PolarHBondContact O-N 3.48Å; G525-M528 PolarHBondContact O-N 2.86Å; M528-T532 VanDerWaalsContact O-CB 3.26Å; M528-T532 WeakPolarHBondContact O-CB 3.49Å; M528-T532 PolarHBondContact O-N 3.02Å; M528-T532 PolarHBondContact O-OG1 2.88Å
529	A	98.9	Very high	98.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.6	-46.9	176.7	0	0	0	0	0	111.7	I465 G525 Y526 D527 T532 H533 A560	I465-A529 HydrophobicContact CD1-CB 3.87Å; G525-A529 WeakPolarHBondContact O-CB 3.46Å; G525-A529 PolarHBondContact O-N 3.03Å; Y526-A529 PolarHBondContact O-N 3.07Å; D527-A529 VanDerWaalsContact C-N 3.34Å; D527-A529 PolarHBondContact O-N 2.7Å; A529-T532 PolarHBondContact O-N 2.94Å; A529-H533 VanDerWaalsContact O-CB 3.32Å; A529-H533 WeakPolarHBondContact O-CB 3.48Å; A529-H533 PolarHBondContact O-N 3.09Å; A529-A560 HydrophobicContact CB-CB 4.04Å
530	R	98.6	Very high	98.3	Very high	55 Å²	55	20.9 Å²	20.9	21%	0.208	10%	0.095	C	C	.	.	H	α-helix	trans	-59.2	-49.8	176.6	179.1	-175.5	59.5	68.2	0.8	111.8	F438 Y526 D527 H533 N534 Y559	F438-R530 PolarHBondContact O-NH2 2.93Å; Y526-R530 WeakPolarHBondContact O-CB 3.32Å; Y526-R530 PolarHBondContact O-N 3.25Å; D527-R530 PolarHBondContact O-N 3.45Å; D527-R530 IonicContact OD1-CZ 2.82Å; D527-R530 IonicContact OD1-NE 3.66Å; D527-R530 PolarHBondContact OD1-NE 3.46Å; D527-R530 IonicContact OD1-NH2 3.94Å; D527-R530 PolarHBondContact OD1-NH2 3.47Å; R530-H533 PolarHBondContact O-N 3.42Å; R530-N534 PolarHBondContact O-N 3.23Å; R530-Y559 HydrophobicContact CB-CD1 4.35Å; R530-Y559 HydrophobicContact CB-CD2 4.05Å; R530-Y559 HydrophobicContact CB-CE1 4.32Å; R530-Y559 HydrophobicContact CB-CE2 4.03Å; R530-Y559 HydrophobicContact CB-CG 4.21Å; R530-Y559 HydrophobicContact CG-CD1 4.38Å; R530-Y559 HydrophobicContact CG-CE1 3.95Å; R530-Y559 HydrophobicContact CG-CE2 4.23Å
531	V	98.8	Very high	98.1	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	12%	0.12	C	C	.	.	H	α-helix	trans	-61.3	-46	178	166.9	0	0	0	0	110.4	F438 E444 W447 D527 H533 N534 V535	F438-V531 HydrophobicContact CB-CG2 4.22Å; F438-V531 HydrophobicContact CD1-CB 4.08Å; F438-V531 HydrophobicContact CD1-CG1 4.04Å; F438-V531 HydrophobicContact CD1-CG2 4.27Å; F438-V531 HydrophobicContact CE1-CG1 4.5Å; E444-V531 HydrophobicContact CB-CG1 4.19Å; E444-V531 HydrophobicContact CG-CG1 4.3Å; W447-V531 HydrophobicContact CB-CG1 3.99Å; W447-V531 HydrophobicContact CG-CG1 4.16Å; D527-V531 WeakPolarHBondContact O-CB 3.33Å; D527-V531 WeakPolarHBondContact O-CG2 3.31Å; D527-V531 PolarHBondContact O-N 3.13Å; V531-H533 VanDerWaalsContact C-N 3.32Å; V531-H533 PolarHBondContact O-N 3.04Å; V531-N534 PolarHBondContact O-N 2.72Å; V531-V535 HydrophobicContact CG1-CG2 4.36Å; V531-V535 WeakPolarHBondContact O-CB 3.22Å; V531-V535 VanDerWaalsContact O-CG2 3.28Å; V531-V535 WeakPolarHBondContact O-CG2 3.34Å; V531-V535 PolarHBondContact O-N 3.28Å
532	T	98.9	Very high	97.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.6	-39.9	178.3	-56.2	0	0	0	0	111.4	W447 L463 I465 M528 A529 V535 L536 I547	W447-T532 PolarHBondContact NE1-OG1 2.93Å; L463-T532 HydrophobicContact CB-CG2 4.36Å; L463-T532 HydrophobicContact CD1-CG2 3.75Å; I465-T532 HydrophobicContact CG2-CG2 4.34Å; M528-T532 VanDerWaalsContact O-CB 3.26Å; M528-T532 WeakPolarHBondContact O-CB 3.49Å; M528-T532 PolarHBondContact O-N 3.02Å; M528-T532 PolarHBondContact O-OG1 2.88Å; A529-T532 PolarHBondContact O-N 2.94Å; T532-V535 PolarHBondContact O-N 2.84Å; T532-L536 HydrophobicContact CG2-CD1 4.31Å; T532-L536 HydrophobicContact CG2-CG 4.41Å; T532-L536 WeakPolarHBondContact O-CG 3.36Å; T532-L536 PolarHBondContact O-N 3.29Å; T532-I547 HydrophobicContact CG2-CD1 3.72Å; T532-I547 HydrophobicContact CG2-CG1 3.99Å; T532-I547 HydrophobicContact CG2-CG2 4.48Å
533	H	98.6	Very high	97.7	Very high	39 Å²	39	34.2 Å²	34.2	18%	0.181	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-48.1	175.8	177.7	-78.9	0	0	0	111.7	A529 R530 V531 V535 L536 T537 I547 Y559	A529-H533 VanDerWaalsContact O-CB 3.32Å; A529-H533 WeakPolarHBondContact O-CB 3.48Å; A529-H533 PolarHBondContact O-N 3.09Å; R530-H533 PolarHBondContact O-N 3.42Å; V531-H533 VanDerWaalsContact C-N 3.32Å; V531-H533 PolarHBondContact O-N 3.04Å; H533-V535 VanDerWaalsContact C-N 3.33Å; H533-V535 PolarHBondContact O-N 2.84Å; H533-L536 PolarHBondContact O-N 2.8Å; H533-T537 PolarHBondContact CE1-OG1 3.03Å; H533-T537 WeakPolarHBondContact O-CB 3.43Å; H533-T537 PolarHBondContact O-N 3.04Å; H533-T537 PolarHBondContact O-OG1 2.87Å; H533-I547 HydrophobicContact CB-CD1 3.72Å; H533-Y559 HydrophobicContact CB-CD1 4.02Å; H533-Y559 HydrophobicContact CB-CG 4.38Å; H533-Y559 AromaticContact CG-CD1 3.91Å
534	N	98.3	Very high	97.6	Very high	51 Å²	51	35.4 Å²	35.4	27%	0.273	17%	0.171	S	C	.	.	H	α-helix	trans	-60.9	-43.5	176.8	-70.1	-6.1	0	0	0	111.5	E444 R530 V531 T537 R538	E444-N534 HydrophobicContact CG-CB 4.38Å; E444-N534 WeakPolarHBondContact OE2-CB 3.37Å; E444-N534 PolarHBondContact OE2-ND2 3.19Å; R530-N534 PolarHBondContact O-N 3.23Å; V531-N534 PolarHBondContact O-N 2.72Å; N534-T537 PolarHBondContact O-N 3.42Å; N534-R538 WeakPolarHBondContact O-CB 3.46Å; N534-R538 PolarHBondContact O-N 3.25Å
535	V	98.6	Very high	97.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.7	-50.7	176.9	163.6	0	0	0	0	111.4	E444 W447 F448 A451 V531 T532 H533 T537 R538 M539	E444-V535 HydrophobicContact CG-CG2 4.03Å; W447-V535 HydrophobicContact CB-CG2 4.15Å; W447-V535 HydrophobicContact CG-CG2 4.38Å; F448-V535 HydrophobicContact CB-CG1 4.33Å; F448-V535 HydrophobicContact CB-CG2 3.88Å; F448-V535 HydrophobicContact CD2-CG1 4.26Å; A451-V535 HydrophobicContact CB-CG1 3.81Å; V531-V535 HydrophobicContact CG1-CG2 4.36Å; V531-V535 WeakPolarHBondContact O-CB 3.22Å; V531-V535 VanDerWaalsContact O-CG2 3.28Å; V531-V535 WeakPolarHBondContact O-CG2 3.34Å; V531-V535 PolarHBondContact O-N 3.28Å; T532-V535 PolarHBondContact O-N 2.84Å; H533-V535 VanDerWaalsContact C-N 3.33Å; H533-V535 PolarHBondContact O-N 2.84Å; V535-T537 VanDerWaalsContact C-N 3.34Å; V535-T537 PolarHBondContact O-N 3.38Å; V535-R538 PolarHBondContact O-N 3.27Å; V535-M539 HydrophobicContact CG1-CG 4.49Å; V535-M539 HydrophobicContact CG1-SD 3.77Å; V535-M539 VanDerWaalsContact O-CG 3.27Å; V535-M539 WeakPolarHBondContact O-CG 3.35Å; V535-M539 PolarHBondContact O-N 3.32Å
536	L	98.2	Very high	97.5	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-65.4	-38.4	179.5	-69.2	-176.6	0	0	0	111.8	F460 L463 T532 H533 R538 M539 F540 P545 I547	F460-L536 HydrophobicContact CE2-CD2 4.04Å; L463-L536 HydrophobicContact CD1-CD1 4.36Å; L463-L536 HydrophobicContact CD1-CD2 4.03Å; L463-L536 HydrophobicContact CD1-CG 4.41Å; L463-L536 HydrophobicContact CG-CD1 4.46Å; L463-L536 HydrophobicContact CG-CD2 4.47Å; T532-L536 HydrophobicContact CG2-CD1 4.31Å; T532-L536 HydrophobicContact CG2-CG 4.41Å; T532-L536 WeakPolarHBondContact O-CG 3.36Å; T532-L536 PolarHBondContact O-N 3.29Å; H533-L536 PolarHBondContact O-N 2.8Å; L536-R538 VanDerWaalsContact C-N 3.35Å; L536-R538 PolarHBondContact O-N 3.45Å; L536-M539 HydrophobicContact CD2-SD 4.43Å; L536-M539 PolarHBondContact O-N 3.27Å; L536-F540 HydrophobicContact CD2-CE2 4.17Å; L536-F540 WeakPolarHBondContact O-CD2 3.26Å; L536-F540 PolarHBondContact O-N 3.08Å; L536-P545 HydrophobicContact CB-CB 3.83Å; L536-P545 HydrophobicContact CB-CG 4.01Å; L536-P545 HydrophobicContact CD1-CB 4.04Å; L536-I547 HydrophobicContact CD1-CD1 4.02Å; L536-I547 HydrophobicContact CD1-CG1 3.66Å
537	T	97.3	Very high	97.5	Very high	51 Å²	51	36.8 Å²	36.8	31%	0.313	18%	0.181	S	C	.	.	H	α-helix	trans	-62	-42.4	173.9	-56.4	0	0	0	0	111.2	H533 N534 V535 M539 F540 P541 P545	H533-T537 PolarHBondContact CE1-OG1 3.03Å; H533-T537 WeakPolarHBondContact O-CB 3.43Å; H533-T537 PolarHBondContact O-N 3.04Å; H533-T537 PolarHBondContact O-OG1 2.87Å; N534-T537 PolarHBondContact O-N 3.42Å; V535-T537 VanDerWaalsContact C-N 3.34Å; V535-T537 PolarHBondContact O-N 3.38Å; T537-M539 VanDerWaalsContact C-N 3.35Å; T537-F540 CarbonylContact O-C 3.55Å; T537-F540 VanDerWaalsContact O-C 3.29Å; T537-F540 PolarHBondContact O-N 3.25Å; T537-P541 WeakPolarHBondContact O-CA 3.42Å; T537-P541 VanDerWaalsContact O-N 3.11Å; T537-P545 WeakPolarHBondContact OG1-CG 3.34Å
538	R	97.4	Very high	97.5	Very high	123 Å²	123	36.3 Å²	36.3	46%	0.464	18%	0.178	S	C	.	.	H	α-helix	trans	-66.7	-35.9	176.2	-176.4	-179.7	171.5	-174.6	1.7	112.2	D445 F448 N534 V535 L536	D445-R538 IonicContact OD1-CZ 2.67Å; D445-R538 IonicContact OD1-NH1 3.89Å; D445-R538 PolarHBondContact OD1-NH1 3.42Å; D445-R538 IonicContact OD1-NH2 2.91Å; F448-R538 HydrophobicContact CD2-CB 4.19Å; F448-R538 HydrophobicContact CD2-CG 3.97Å; F448-R538 HydrophobicContact CE2-CB 4.03Å; F448-R538 HydrophobicContact CE2-CG 3.55Å; F448-R538 HydrophobicContact CZ-CG 4.15Å; N534-R538 WeakPolarHBondContact O-CB 3.46Å; N534-R538 PolarHBondContact O-N 3.25Å; V535-R538 PolarHBondContact O-N 3.27Å; L536-R538 VanDerWaalsContact C-N 3.35Å; L536-R538 PolarHBondContact O-N 3.45Å
539	M	97.3	Very high	97.5	Very high	32 Å²	32	36.3 Å²	36.3	16%	0.158	18%	0.178	C	C	.	.	H	α-helix	trans	-71.8	-36.5	176.7	-71.9	174.1	58.3	0	0	112.2	F448 A451 H455 F460 V535 L536 T537	F448-M539 HydrophobicContact CD2-CG 3.88Å; F448-M539 HydrophobicContact CE2-CG 3.53Å; A451-M539 HydrophobicContact CB-CE 4.48Å; A451-M539 HydrophobicContact CB-SD 3.78Å; H455-M539 HydrophobicContact CB-CE 3.66Å; F460-M539 HydrophobicContact CZ-CE 4.22Å; V535-M539 HydrophobicContact CG1-CG 4.49Å; V535-M539 HydrophobicContact CG1-SD 3.77Å; V535-M539 VanDerWaalsContact O-CG 3.27Å; V535-M539 WeakPolarHBondContact O-CG 3.35Å; V535-M539 PolarHBondContact O-N 3.32Å; L536-M539 HydrophobicContact CD2-SD 4.43Å; L536-M539 PolarHBondContact O-N 3.27Å; T537-M539 VanDerWaalsContact C-N 3.35Å
540	F	96	Very high	97.5	Very high	55 Å²	55	36.4 Å²	36.4	24%	0.241	18%	0.179	C	C	.	.			trans	-135.7	70.7	-173	-46.5	-66.6	0	0	0	111.4	H455 L536 T537 D542 K543	H455-F540 AromaticContact CD2-CZ 3.73Å; H455-F540 AromaticContact CE1-CE1 3.61Å; H455-F540 AromaticContact CE1-CZ 3.53Å; H455-F540 AromaticContact CG-CZ 3.98Å; H455-F540 AromaticContact ND1-CZ 3.87Å; H455-F540 AromaticContact NE2-CE1 3.9Å; H455-F540 AromaticContact NE2-CZ 3.46Å; H455-F540 WeakPolarHBondContact NE2-CZ 3.41Å; L536-F540 HydrophobicContact CD2-CE2 4.17Å; L536-F540 WeakPolarHBondContact O-CD2 3.26Å; L536-F540 PolarHBondContact O-N 3.08Å; T537-F540 CarbonylContact O-C 3.55Å; T537-F540 VanDerWaalsContact O-C 3.29Å; T537-F540 PolarHBondContact O-N 3.25Å; F540-D542 PolarHBondContact O-N 2.65Å; F540-D542 VanDerWaalsContact O-N 3.1Å; F540-K543 HydrophobicContact CB-CB 3.96Å; F540-K543 HydrophobicContact CB-CD 4.39Å; F540-K543 HydrophobicContact CB-CG 4.43Å; F540-K543 PolarHBondContact O-N 3.49Å
541	P	94.4	Very high	97.5	Very high	84 Å²	84	33.9 Å²	33.9	55%	0.545	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.8	-171	24.6	-35.6	0	0	0	114.6	T537	T537-P541 WeakPolarHBondContact O-CA 3.42Å; T537-P541 VanDerWaalsContact O-N 3.11Å
542	D	92.9	Very high	97.5	Very high	112 Å²	112	33.8 Å²	33.8	60%	0.599	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-0	179.1	-59.8	-52.4	0	0	0	113.3	F540 G808	F540-D542 PolarHBondContact O-N 2.65Å; F540-D542 VanDerWaalsContact O-N 3.1Å; D542-G808 PolarHBondContact O-N 2.88Å; D542-G808 VanDerWaalsContact O-N 3.11Å
543	K	95	Very high	97.5	Very high	89 Å²	89	33.9 Å²	33.9	39%	0.387	17%	0.169	S	C	.	.	B	Isolated β-bridge	trans	-119.8	160.9	-175.6	-67.5	-170.3	173.1	-170.7	0	112.9	F540 D806	F540-K543 HydrophobicContact CB-CB 3.96Å; F540-K543 HydrophobicContact CB-CD 4.39Å; F540-K543 HydrophobicContact CB-CG 4.43Å; F540-K543 PolarHBondContact O-N 3.49Å; K543-D806 VanDerWaalsContact CA-O 3.26Å; K543-D806 WeakPolarHBondContact CA-O 3.47Å; K543-D806 WeakPolarHBondContact CD-OD2 3.15Å
544	R	96.7	Very high	97.5	Very high	26 Å²	26	32 Å²	32	10%	0.098	16%	0.16	C	C	.	.			trans	-88.9	129.2	172.4	-57.5	-168.7	-167.7	139.4	11.5	110.3	I309 P310 P311 Y660 D803 D806 D807	I309-R544 WeakPolarHBondContact O-CD 3.35Å; P310-R544 PolarHBondContact O-NH1 3.49Å; P310-R544 VanDerWaalsContact O-NH1 3.11Å; P311-R544 HydrophobicContact CB-CB 4.3Å; P311-R544 HydrophobicContact CG-CB 4.48Å; R544-Y660 PolarHBondContact NH1-OH 3.03Å; R544-D803 IonicContact CZ-OD2 3.46Å; R544-D803 IonicContact NH1-OD2 3.4Å; R544-D803 PolarHBondContact NH1-OD2 3.39Å; R544-D803 IonicContact NH2-OD2 2.68Å; R544-D803 PolarHBondContact NH2-OD2 2.83Å; R544-D806 PolarHBondContact N-O 3.08Å; R544-D806 PolarHBondContact N-OD1 3.46Å; R544-D807 PolarHBondContact NE-O 3.1Å; R544-D807 PolarHBondContact NH2-O 3.07Å
545	P	97.3	Very high	97.5	Very high	29 Å²	29	29.7 Å²	29.7	19%	0.188	15%	0.149	C	C	.	.			trans	-58.9	139.3	168.8	-24.4	35.6	0	0	0	111.1	L536 T537 I547	L536-P545 HydrophobicContact CB-CB 3.83Å; L536-P545 HydrophobicContact CB-CG 4.01Å; L536-P545 HydrophobicContact CD1-CB 4.04Å; T537-P545 WeakPolarHBondContact OG1-CG 3.34Å; P545-I547 HydrophobicContact CB-CD1 4.33Å
546	F	98.6	Very high	97.5	Very high	5 Å²	5	29.7 Å²	29.7	2%	0.022	15%	0.149	C	C	.	.			trans	-112.8	116.3	161.5	-179	-102.2	0	0	0	109	P311 W313 W348 V387 G462 L463 A561 M591 F620	P311-F546 HydrophobicContact CG-CB 4.05Å; P311-F546 HydrophobicContact CG-CD2 4.46Å; W313-F546 HydrophobicContact CH2-CB 3.74Å; W313-F546 AromaticContact CH2-CD1 3.51Å; W313-F546 HydrophobicContact CH2-CD1 3.51Å; W313-F546 HydrophobicContact CH2-CD2 4.44Å; W313-F546 HydrophobicContact CH2-CE1 4.24Å; W313-F546 AromaticContact CH2-CG 3.61Å; W313-F546 HydrophobicContact CH2-CG 3.61Å; W313-F546 HydrophobicContact CZ2-CB 3.52Å; W313-F546 HydrophobicContact CZ2-CD1 4.22Å; W313-F546 AromaticContact CZ2-CG 3.91Å; W313-F546 HydrophobicContact CZ2-CG 3.91Å; W313-F546 HydrophobicContact CZ3-CD1 4.29Å; W313-F546 HydrophobicContact CZ3-CG 4.48Å; W348-F546 AromaticContact CH2-CE1 3.65Å; W348-F546 HydrophobicContact CH2-CE1 3.65Å; W348-F546 HydrophobicContact CH2-CZ 4.06Å; W348-F546 AromaticContact CZ2-CE1 3.62Å; W348-F546 HydrophobicContact CZ2-CE1 3.62Å; W348-F546 HydrophobicContact CZ2-CZ 4.02Å; V387-F546 HydrophobicContact CG1-CE1 4.45Å; V387-F546 HydrophobicContact CG2-CD1 4.05Å; V387-F546 HydrophobicContact CG2-CE1 4.1Å; G462-F546 VanDerWaalsContact CA-O 3.27Å; G462-F546 WeakPolarHBondContact CA-O 3.32Å; L463-F546 PolarHBondContact N-O 3.14Å; F546-A561 HydrophobicContact CE2-CB 4.31Å; F546-M591 HydrophobicContact CE2-CE 4.32Å; F546-F620 HydrophobicContact CZ-CD2 4.35Å; F546-F620 AromaticContact CZ-CE2 3.87Å; F546-F620 HydrophobicContact CZ-CE2 3.87Å
547	I	98.9	Very high	97.5	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.015	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	129.7	179.2	-59.2	165.5	0	0	0	107.5	L463 I465 T532 H533 L536 P545 A560 A561	L463-I547 CarbonylContact O-C 3.59Å; L463-I547 VanDerWaalsContact O-CA 3.23Å; L463-I547 WeakPolarHBondContact O-CA 3.49Å; I465-I547 HydrophobicContact CD1-CG2 3.74Å; I465-I547 HydrophobicContact CG1-CG2 3.86Å; T532-I547 HydrophobicContact CG2-CD1 3.72Å; T532-I547 HydrophobicContact CG2-CG1 3.99Å; T532-I547 HydrophobicContact CG2-CG2 4.48Å; H533-I547 HydrophobicContact CB-CD1 3.72Å; L536-I547 HydrophobicContact CD1-CD1 4.02Å; L536-I547 HydrophobicContact CD1-CG1 3.66Å; P545-I547 HydrophobicContact CB-CD1 4.33Å; I547-A560 HydrophobicContact CB-CB 3.95Å; I547-A560 HydrophobicContact CG2-CB 3.75Å; I547-A560 WeakPolarHBondContact O-CA 3.24Å; I547-A561 WeakPolarHBondContact O-CB 3.46Å; I547-A561 PolarHBondContact O-N 2.88Å
548	L	98.9	Very high	97.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.1	168.2	-172.9	76.2	0	0	0	108.2	W348 L463 W464 I465 A561 W563 F620	W348-L548 HydrophobicContact CH2-CB 3.95Å; W348-L548 HydrophobicContact CH2-CD2 3.6Å; W348-L548 HydrophobicContact CH2-CG 4.3Å; W348-L548 HydrophobicContact CZ3-CB 4.21Å; W348-L548 HydrophobicContact CZ3-CD2 3.55Å; W348-L548 HydrophobicContact CZ3-CG 4.49Å; L463-L548 PolarHBondContact O-N 3.46Å; W464-L548 CarbonylContact C-O 3.45Å; W464-L548 WeakPolarHBondContact CA-O 3.49Å; W464-L548 HydrophobicContact CB-CB 4.44Å; W464-L548 HydrophobicContact CG-CD2 4.3Å; I465-L548 WeakPolarHBondContact CG1-O 3.46Å; I465-L548 PolarHBondContact N-O 2.91Å; L548-A561 HydrophobicContact CD1-CB 3.89Å; L548-W563 HydrophobicContact CD1-CB 4.33Å; L548-W563 HydrophobicContact CD1-CE3 4.25Å; L548-W563 HydrophobicContact CD2-CB 4.34Å; L548-W563 HydrophobicContact CD2-CD2 3.99Å; L548-W563 HydrophobicContact CD2-CE3 3.51Å; L548-W563 HydrophobicContact CD2-CG 4.34Å; L548-W563 HydrophobicContact CD2-CZ3 4.08Å; L548-W563 HydrophobicContact CG-CD2 4.46Å; L548-W563 HydrophobicContact CG-CE3 3.59Å; L548-W563 HydrophobicContact CG-CZ3 4.1Å; L548-F620 HydrophobicContact CD1-CD1 3.87Å; L548-F620 HydrophobicContact CD1-CE1 3.53Å; L548-F620 HydrophobicContact CD1-CZ 3.92Å; L548-F620 HydrophobicContact CD2-CE1 3.77Å; L548-F620 HydrophobicContact CD2-CZ 3.89Å; L548-F620 HydrophobicContact CG-CE1 4.32Å; L548-F620 HydrophobicContact CG-CZ 4.5Å
549	T	98.9	Very high	97.6	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	143.4	178.9	-168.9	0	0	0	0	112.3	I465 N468 S551 A560 A561 H562 W563	I465-T549 WeakPolarHBondContact O-CA 3.38Å; N468-T549 PolarHBondContact ND2-OG1 3.46Å; T549-S551 WeakPolarHBondContact CG2-O 3.4Å; T549-S551 PolarHBondContact OG1-O 2.84Å; T549-A560 HydrophobicContact CG2-CB 3.64Å; T549-A561 PolarHBondContact N-O 2.98Å; T549-H562 WeakPolarHBondContact O-CA 3.14Å; T549-H562 PolarHBondContact O-ND1 3.28Å; T549-W563 VanDerWaalsContact C-CZ3 3.44Å
550	R	98.7	Very high	97.7	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.008	13%	0.128	C	C	.	.	S	Bend	trans	-81.2	-70.8	172.3	-153.8	167.5	59.5	-175.6	12.7	110.3	D228 Y238 I465 D466 M467 E469 H562 W563	D228-R550 IonicContact OD1-CZ 3.39Å; D228-R550 IonicContact OD1-NH1 3.97Å; D228-R550 IonicContact OD1-NH2 3.32Å; D228-R550 PolarHBondContact OD1-NH2 2.96Å; Y238-R550 HydrophobicContact CD1-CG 3.76Å; Y238-R550 HydrophobicContact CD2-CG 4.23Å; Y238-R550 HydrophobicContact CE1-CG 4.36Å; Y238-R550 HydrophobicContact CG-CG 3.69Å; I465-R550 PolarHBondContact O-N 2.95Å; D466-R550 WeakPolarHBondContact OD1-CD 3.29Å; D466-R550 IonicContact OD1-CZ 3.45Å; D466-R550 IonicContact OD1-NE 3.26Å; D466-R550 PolarHBondContact OD1-NE 3.26Å; D466-R550 IonicContact OD1-NH1 2.77Å; D466-R550 PolarHBondContact OD1-NH1 3Å; D466-R550 IonicContact OD1-NH2 3.58Å; D466-R550 IonicContact OD2-NH1 3.9Å; M467-R550 PolarHBondContact SD-NH1 2.77Å; M467-R550 PolarHBondContact SD-NH2 3.41Å; E469-R550 IonicContact OE1-CZ 2.8Å; E469-R550 IonicContact OE1-NE 2.7Å; E469-R550 PolarHBondContact OE1-NE 3.26Å; E469-R550 IonicContact OE1-NH2 2.64Å; E469-R550 PolarHBondContact OE1-NH2 3.39Å; E469-R550 IonicContact OE2-CZ 3.54Å; E469-R550 IonicContact OE2-NE 2.56Å; E469-R550 IonicContact OE2-NH2 3.46Å; E469-R550 PolarHBondContact OE2-NH2 3.48Å; R550-H562 PolarHBondContact O-CE1 2.82Å; R550-H562 PolarHBondContact O-ND1 3.12Å; R550-W563 VanDerWaalsContact CA-CZ3 3.47Å; R550-W563 HydrophobicContact CB-CE3 4.44Å; R550-W563 HydrophobicContact CB-CH2 3.31Å; R550-W563 HydrophobicContact CB-CZ2 4.07Å; R550-W563 HydrophobicContact CB-CZ3 3.57Å; R550-W563 HydrophobicContact CG-CH2 3.52Å; R550-W563 HydrophobicContact CG-CZ2 3.72Å; R550-W563 HydrophobicContact CG-CZ3 4.01Å; R550-W563 VanDerWaalsContact N-CZ3 3.26Å
551	S	98.7	Very high	97.8	Very high	1 Å²	1	22 Å²	22	1%	0.007	12%	0.12	C	C	.	.	S	Bend	trans	-68.6	140.1	176.5	178.9	0	0	0	0	111	Y238 N468 T549	Y238-S551 PolarHBondContact O-OG 2.7Å; N468-S551 VanDerWaalsContact C-CB 3.5Å; N468-S551 WeakPolarHBondContact O-CB 3.4Å; N468-S551 PolarHBondContact O-OG 2.78Å; N468-S551 WeakPolarHBondContact OD1-CB 2.95Å; N468-S551 PolarHBondContact OD1-N 2.76Å; T549-S551 WeakPolarHBondContact CG2-O 3.4Å; T549-S551 PolarHBondContact OG1-O 2.84Å
552	S	98.8	Very high	98	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.			trans	-149.3	149.4	-178	58.9	0	0	0	0	112.2	G239 T240 H241	G239-S552 CarbonylContact C-O 3.58Å; G239-S552 WeakPolarHBondContact CA-O 3.11Å; T240-S552 PolarHBondContact N-O 2.84Å; H241-S552 PolarHBondContact NE2-OG 3.13Å
553	F	98.7	Very high	98.3	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.009	7%	0.065	C	C	.	.	B	Isolated β-bridge	trans	-123.1	173.8	169.8	-166	-109.3	0	0	0	110.8	P133 I135 T240 H241 L259 N522 I523 Y526 G555 S556	P133-F553 HydrophobicContact CB-CE1 4.45Å; I135-F553 HydrophobicContact CD1-CD1 4.41Å; I135-F553 HydrophobicContact CD1-CE1 4.09Å; I135-F553 HydrophobicContact CG2-CD1 4.15Å; I135-F553 HydrophobicContact CG2-CE1 4.3Å; T240-F553 HydrophobicContact CG2-CD2 4.1Å; T240-F553 HydrophobicContact CG2-CE2 3.95Å; T240-F553 VanDerWaalsContact O-CD2 3.24Å; T240-F553 WeakPolarHBondContact O-CD2 3.42Å; H241-F553 PolarHBondContact CE1-O 3.47Å; L259-F553 HydrophobicContact CD1-CE1 4.12Å; L259-F553 HydrophobicContact CD1-CZ 4.4Å; N522-F553 HydrophobicContact CB-CD2 4.32Å; I523-F553 HydrophobicContact CG2-CB 4.09Å; I523-F553 HydrophobicContact CG2-CD1 3.67Å; I523-F553 HydrophobicContact CG2-CD2 4.03Å; I523-F553 HydrophobicContact CG2-CE1 4.05Å; I523-F553 HydrophobicContact CG2-CE2 4.39Å; I523-F553 HydrophobicContact CG2-CG 3.66Å; I523-F553 HydrophobicContact CG2-CZ 4.4Å; Y526-F553 HydrophobicContact CD2-CB 4.31Å; Y526-F553 HydrophobicContact CG-CB 4.41Å; F553-G555 PolarHBondContact O-N 3.2Å; F553-S556 PolarHBondContact N-OG 3.14Å; F553-S556 VanDerWaalsContact O-CB 3.31Å; F553-S556 WeakPolarHBondContact O-CB 3.15Å; F553-S556 PolarHBondContact O-N 2.84Å; F553-S556 PolarHBondContact O-OG 3.3Å
554	A	98.4	Very high	98.4	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	128.1	172.1	0	0	0	0	0	111.6	I135 F257 Y300 I304	I135-A554 HydrophobicContact CD1-CB 4.41Å; F257-A554 HydrophobicContact CE1-CB 4.49Å; F257-A554 HydrophobicContact CE2-CB 3.61Å; F257-A554 HydrophobicContact CZ-CB 3.46Å; F257-A554 VanDerWaalsContact CZ-CB 3.46Å; Y300-A554 WeakPolarHBondContact OH-CB 3.37Å; I304-A554 HydrophobicContact CG2-CB 4.27Å
555	G	98.1	Very high	98.3	Very high	3 Å²	3	7.3 Å²	7.3	3%	0.031	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	-1.7	-177	0	0	0	0	0	115.5	F553 G557 L558	F553-G555 PolarHBondContact O-N 3.2Å; G555-G557 PolarHBondContact O-N 2.9Å; G555-G557 VanDerWaalsContact O-N 3.14Å; G555-L558 WeakPolarHBondContact O-CB 3.42Å; G555-L558 PolarHBondContact O-N 2.87Å; G555-L558 VanDerWaalsContact O-N 3.07Å
556	S	98.8	Very high	98.3	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-60.5	-25.5	178.4	-57.3	0	0	0	0	113.4	F553 L558 Y559 A560	F553-S556 PolarHBondContact N-OG 3.14Å; F553-S556 VanDerWaalsContact O-CB 3.31Å; F553-S556 WeakPolarHBondContact O-CB 3.15Å; F553-S556 PolarHBondContact O-N 2.84Å; F553-S556 PolarHBondContact O-OG 3.3Å; S556-L558 PolarHBondContact O-N 3.41Å; S556-L558 VanDerWaalsContact O-N 3.13Å; S556-Y559 PolarHBondContact O-N 2.91Å; S556-A560 PolarHBondContact O-N 3Å
557	G	98.5	Very high	98.2	Very high	9 Å²	9	7.2 Å²	7.2	9%	0.093	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-63.9	-12.4	176.2	0	0	0	0	0	114.5	P308 G555 Y559 G588	P308-G557 WeakPolarHBondContact CD-O 3.38Å; G555-G557 PolarHBondContact O-N 2.9Å; G555-G557 VanDerWaalsContact O-N 3.14Å; G557-Y559 PolarHBondContact O-N 3.15Å; G557-G588 WeakPolarHBondContact CA-O 3.48Å
558	L	97.9	Very high	98.1	Very high	44 Å²	44	9.8 Å²	9.8	23%	0.23	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-66.7	-26.2	168.1	-75.2	170.9	0	0	0	113.1	I304 H306 G555 S556	I304-L558 WeakPolarHBondContact O-CD1 3.42Å; H306-L558 WeakPolarHBondContact O-CD2 3.32Å; G555-L558 WeakPolarHBondContact O-CB 3.42Å; G555-L558 PolarHBondContact O-N 2.87Å; G555-L558 VanDerWaalsContact O-N 3.07Å; S556-L558 PolarHBondContact O-N 3.41Å; S556-L558 VanDerWaalsContact O-N 3.13Å
559	Y	98.6	Very high	98.1	Very high	34 Å²	34	10.6 Å²	10.6	13%	0.133	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-30.7	-166	-50	-64	0	0	0	113.1	Y526 R530 H533 S556 G557	Y526-Y559 HydrophobicContact CE1-CE2 4.42Å; Y526-Y559 HydrophobicContact CE2-CD2 4.23Å; Y526-Y559 AromaticContact CE2-CE2 3.69Å; Y526-Y559 HydrophobicContact CE2-CE2 3.69Å; Y526-Y559 AromaticContact CZ-CE2 3.61Å; Y526-Y559 WeakPolarHBondContact OH-CE2 3.3Å; Y526-Y559 PolarHBondContact OH-OH 3.31Å; R530-Y559 HydrophobicContact CB-CD1 4.35Å; R530-Y559 HydrophobicContact CB-CD2 4.05Å; R530-Y559 HydrophobicContact CB-CE1 4.32Å; R530-Y559 HydrophobicContact CB-CE2 4.03Å; R530-Y559 HydrophobicContact CB-CG 4.21Å; R530-Y559 HydrophobicContact CG-CD1 4.38Å; R530-Y559 HydrophobicContact CG-CE1 3.95Å; R530-Y559 HydrophobicContact CG-CE2 4.23Å; H533-Y559 HydrophobicContact CB-CD1 4.02Å; H533-Y559 HydrophobicContact CB-CG 4.38Å; H533-Y559 AromaticContact CG-CD1 3.91Å; S556-Y559 PolarHBondContact O-N 2.91Å; G557-Y559 PolarHBondContact O-N 3.15Å
560	A	98.8	Very high	98	Very high	10 Å²	10	13 Å²	13	8%	0.083	7%	0.073	C	C	.	.			trans	-147.2	152.9	-171.2	0	0	0	0	0	113.6	A529 I547 T549 S556	A529-A560 HydrophobicContact CB-CB 4.04Å; I547-A560 HydrophobicContact CB-CB 3.95Å; I547-A560 HydrophobicContact CG2-CB 3.75Å; I547-A560 WeakPolarHBondContact O-CA 3.24Å; T549-A560 HydrophobicContact CG2-CB 3.64Å; S556-A560 PolarHBondContact O-N 3Å
561	A	98.9	Very high	98	Very high	7 Å²	7	14.6 Å²	14.6	6%	0.058	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	166.8	158.7	0	0	0	0	0	110.5	F546 I547 L548 T549 M591	F546-A561 HydrophobicContact CE2-CB 4.31Å; I547-A561 WeakPolarHBondContact O-CB 3.46Å; I547-A561 PolarHBondContact O-N 2.88Å; L548-A561 HydrophobicContact CD1-CB 3.89Å; T549-A561 PolarHBondContact N-O 2.98Å; A561-M591 VanDerWaalsContact CA-O 3.31Å; A561-M591 WeakPolarHBondContact CA-O 3.38Å; A561-M591 HydrophobicContact CB-CB 3.81Å; A561-M591 HydrophobicContact CB-CG 3.45Å; A561-M591 VanDerWaalsContact CB-CG 3.45Å; A561-M591 VanDerWaalsContact CB-O 3.32Å; A561-M591 WeakPolarHBondContact CB-O 3.26Å
562	H	98.9	Very high	97.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	155.4	178.6	177.3	70.1	0	0	0	111.6	E207 T549 R550 F584 I589 M591 V592 G593	E207-H562 IonicContact OE1-NE2 3.73Å; E207-H562 IonicContact OE2-CE1 3.96Å; E207-H562 IonicContact OE2-NE2 2.8Å; T549-H562 WeakPolarHBondContact O-CA 3.14Å; T549-H562 PolarHBondContact O-ND1 3.28Å; R550-H562 PolarHBondContact O-CE1 2.82Å; R550-H562 PolarHBondContact O-ND1 3.12Å; H562-F584 HydrophobicContact CB-CD1 4.46Å; H562-F584 HydrophobicContact CB-CE1 4.45Å; H562-F584 AromaticContact CD2-CD1 3.56Å; H562-F584 AromaticContact CD2-CD2 3.87Å; H562-F584 AromaticContact CD2-CE1 3.2Å; H562-F584 WeakPolarHBondContact CD2-CE1 3.38Å; H562-F584 AromaticContact CD2-CE2 3.54Å; H562-F584 AromaticContact CD2-CG 3.88Å; H562-F584 AromaticContact CD2-CZ 3.2Å; H562-F584 WeakPolarHBondContact CD2-CZ 3.31Å; H562-F584 AromaticContact CE1-CZ 3.78Å; H562-F584 AromaticContact CG-CE1 3.75Å; H562-F584 AromaticContact NE2-CE1 3.46Å; H562-F584 WeakPolarHBondContact NE2-CE1 3.48Å; H562-F584 AromaticContact NE2-CE2 3.38Å; H562-F584 WeakPolarHBondContact NE2-CE2 3.24Å; H562-F584 AromaticContact NE2-CZ 2.98Å; H562-F584 WeakPolarHBondContact NE2-CZ 3.31Å; H562-I589 HydrophobicContact CB-CG2 3.81Å; H562-M591 PolarHBondContact N-O 2.78Å; H562-V592 VanDerWaalsContact O-CA 3.29Å; H562-V592 WeakPolarHBondContact O-CA 3.24Å; H562-G593 PolarHBondContact O-N 3.36Å
563	W	98.6	Very high	97.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.6	164.3	88.1	106.7	0	0	0	109.5	W464 D466 L548 T549 R550 G565 G593 D595 F620	W464-W563 AromaticContact CD1-CH2 3.82Å; W464-W563 AromaticContact CD1-CZ3 3.64Å; W464-W563 AromaticContact CE2-CH2 3.78Å; W464-W563 HydrophobicContact CZ2-CH2 4.1Å; W464-W563 AromaticContact CZ2-CZ2 3.93Å; W464-W563 HydrophobicContact CZ2-CZ2 3.93Å; W464-W563 AromaticContact NE1-CH2 2.89Å; W464-W563 AromaticContact NE1-CZ2 3.59Å; W464-W563 AromaticContact NE1-CZ3 3.16Å; D466-W563 HydrophobicContact CB-CH2 4.28Å; D466-W563 WeakPolarHBondContact OD1-CH2 3.2Å; L548-W563 HydrophobicContact CD1-CB 4.33Å; L548-W563 HydrophobicContact CD1-CE3 4.25Å; L548-W563 HydrophobicContact CD2-CB 4.34Å; L548-W563 HydrophobicContact CD2-CD2 3.99Å; L548-W563 HydrophobicContact CD2-CE3 3.51Å; L548-W563 HydrophobicContact CD2-CG 4.34Å; L548-W563 HydrophobicContact CD2-CZ3 4.08Å; L548-W563 HydrophobicContact CG-CD2 4.46Å; L548-W563 HydrophobicContact CG-CE3 3.59Å; L548-W563 HydrophobicContact CG-CZ3 4.1Å; T549-W563 VanDerWaalsContact C-CZ3 3.44Å; R550-W563 VanDerWaalsContact CA-CZ3 3.47Å; R550-W563 HydrophobicContact CB-CE3 4.44Å; R550-W563 HydrophobicContact CB-CH2 3.31Å; R550-W563 HydrophobicContact CB-CZ2 4.07Å; R550-W563 HydrophobicContact CB-CZ3 3.57Å; R550-W563 HydrophobicContact CG-CH2 3.52Å; R550-W563 HydrophobicContact CG-CZ2 3.72Å; R550-W563 HydrophobicContact CG-CZ3 4.01Å; R550-W563 VanDerWaalsContact N-CZ3 3.26Å; W563-G565 VanDerWaalsContact CD1-N 3.28Å; W563-G565 PolarHBondContact O-N 3.15Å; W563-G593 WeakPolarHBondContact CA-O 3.33Å; W563-G593 WeakPolarHBondContact CB-O 3.4Å; W563-D595 PolarHBondContact NE1-OD2 3.14Å; W563-F620 HydrophobicContact CB-CD1 4.43Å; W563-F620 HydrophobicContact CB-CE1 4.24Å
564	T	97	Very high	97.7	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.025	11%	0.112	C	C	.	.			trans	-74.2	23.9	-170.7	63.9	0	0	0	0	114.5	V567 Q580 I581 V592 G593 A594	T564-V567 WeakPolarHBondContact OG1-CG1 3.19Å; T564-Q580 HydrophobicContact CG2-CB 3.6Å; T564-Q580 HydrophobicContact CG2-CG 4.28Å; T564-I581 HydrophobicContact CG2-CD1 4.39Å; T564-V592 HydrophobicContact CG2-CG2 4.45Å; T564-G593 PolarHBondContact N-O 2.91Å; T564-G593 VanDerWaalsContact N-O 3.08Å; T564-A594 WeakPolarHBondContact OG1-CA 3.24Å; T564-A594 VanDerWaalsContact OG1-CB 3.3Å; T564-A594 WeakPolarHBondContact OG1-CB 3.36Å
565	G	95.1	Very high	97.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.			trans	65.5	-153	178.5	0	0	0	0	0	115.5	Y238 W563 V567	Y238-G565 VanDerWaalsContact CE2-CA 3.47Å; W563-G565 VanDerWaalsContact CD1-N 3.28Å; W563-G565 PolarHBondContact O-N 3.15Å; G565-V567 PolarHBondContact O-N 2.86Å
566	D	95.9	Very high	97.5	Very high	24 Å²	24	25.8 Å²	25.8	13%	0.128	14%	0.137	C	C	.	.	S	Bend	trans	-82.3	59.6	-164.1	-64.4	7.2	0	0	0	111.2	P231 Y238 F599 T600	P231-D566 VanDerWaalsContact CD-O 3.23Å; P231-D566 WeakPolarHBondContact CD-O 3.23Å; Y238-D566 PolarHBondContact OH-N 3.31Å; D566-F599 HydrophobicContact CB-CD1 3.52Å; D566-F599 HydrophobicContact CB-CE1 3.83Å; D566-F599 HydrophobicContact CB-CG 4.44Å; D566-T600 PolarHBondContact O-OG1 3.32Å
567	V	97	Very high	97.4	Very high	8 Å²	8	25.9 Å²	25.9	5%	0.048	14%	0.137	C	C	.	.			trans	-62	148.1	-178.4	-62.6	0	0	0	0	111.5	P231 T564 G565 D595 F599 T600 W611	P231-V567 HydrophobicContact CG-CG1 4.14Å; T564-V567 WeakPolarHBondContact OG1-CG1 3.19Å; G565-V567 PolarHBondContact O-N 2.86Å; V567-D595 HydrophobicContact CG2-CB 4.27Å; V567-F599 WeakPolarHBondContact O-CA 3.43Å; V567-F599 WeakPolarHBondContact O-CB 3.21Å; V567-F599 PolarHBondContact O-N 3.09Å; V567-T600 PolarHBondContact O-N 3.02Å; V567-W611 HydrophobicContact CG2-CH2 4.02Å; V567-W611 HydrophobicContact CG2-CZ2 4.05Å
568	L	97.2	Very high	97.4	Very high	57 Å²	57	25.5 Å²	25.5	30%	0.298	13%	0.133	S	C	.	.	B	Isolated β-bridge	trans	-76.4	147.5	178.7	-54.3	179.2	0	0	0	111.3	N230 N570 S573 T600 W611	N230-L568 HydrophobicContact CB-CD2 4.33Å; L568-N570 VanDerWaalsContact CB-ND2 3.35Å; L568-N570 WeakPolarHBondContact CB-ND2 3.31Å; L568-N570 PolarHBondContact O-N 2.95Å; L568-S573 PolarHBondContact N-OG 2.84Å; L568-S573 WeakPolarHBondContact O-CB 3.38Å; L568-S573 PolarHBondContact O-OG 2.65Å; L568-T600 HydrophobicContact CD2-CG2 3.9Å; L568-W611 WeakPolarHBondContact O-CH2 3.38Å
569	S	98	Very high	97.3	Very high	16 Å²	16	24 Å²	24	11%	0.112	13%	0.125	C	C	.	.	S	Bend	trans	-76.2	64.5	172.5	-59.2	0	0	0	0	111.9	C597 G598 T600 G601	S569-C597 PolarHBondContact OG-O 2.77Å; S569-G598 VanDerWaalsContact OG-C 3.25Å; S569-G598 WeakPolarHBondContact OG-CA 3.37Å; S569-G598 PolarHBondContact OG-O 2.78Å; S569-T600 WeakPolarHBondContact CB-O 3.37Å; S569-T600 PolarHBondContact N-O 2.84Å; S569-T600 PolarHBondContact OG-O 2.69Å; S569-G601 WeakPolarHBondContact CB-O 3.11Å; S569-G601 PolarHBondContact OG-O 3.47Å
570	N	97.7	Very high	97.2	Very high	52 Å²	52	22.7 Å²	22.7	28%	0.278	12%	0.12	S	C	.	.	S	Bend	trans	-143.3	169.1	177.6	70	40.6	0	0	0	113	L568 D572 S573 L574	L568-N570 VanDerWaalsContact CB-ND2 3.35Å; L568-N570 WeakPolarHBondContact CB-ND2 3.31Å; L568-N570 PolarHBondContact O-N 2.95Å; N570-D572 VanDerWaalsContact C-N 3.35Å; N570-D572 PolarHBondContact O-N 3.46Å; N570-D572 PolarHBondContact OD1-N 3.33Å; N570-D572 VanDerWaalsContact OD1-N 3.12Å; N570-S573 WeakPolarHBondContact OD1-CB 3.43Å; N570-S573 PolarHBondContact OD1-N 3.3Å; N570-S573 PolarHBondContact OD1-OG 2.85Å; N570-L574 PolarHBondContact O-N 2.99Å; N570-L574 VanDerWaalsContact O-N 3.17Å
571	W	97.9	Very high	97.2	Very high	36 Å²	36	22.3 Å²	22.3	14%	0.136	12%	0.117	C	C	.	.	H	α-helix	trans	-68.1	-29.9	-178	-67.3	94.6	0	0	0	113.9	L574 K575 E606 L607 R610 E708	W571-L574 HydrophobicContact CE3-CD2 3.75Å; W571-L574 HydrophobicContact CZ3-CD2 3.95Å; W571-L574 WeakPolarHBondContact O-CB 3.48Å; W571-L574 PolarHBondContact O-N 3.46Å; W571-K575 PolarHBondContact O-N 2.86Å; W571-E606 HydrophobicContact CH2-CG 3.98Å; W571-E606 HydrophobicContact CZ2-CB 4.43Å; W571-E606 HydrophobicContact CZ2-CG 3.93Å; W571-L607 HydrophobicContact CD2-CD1 3.81Å; W571-L607 HydrophobicContact CE3-CD1 4.05Å; W571-L607 HydrophobicContact CG-CD1 4.16Å; W571-L607 HydrophobicContact CZ2-CB 4.18Å; W571-L607 HydrophobicContact CZ2-CD1 4.4Å; W571-L607 HydrophobicContact CZ3-CD1 4.47Å; W571-R610 HydrophobicContact CH2-CB 4.06Å; W571-R610 HydrophobicContact CH2-CG 3.6Å; W571-R610 HydrophobicContact CZ3-CB 3.98Å; W571-R610 HydrophobicContact CZ3-CG 3.85Å; W571-E708 HydrophobicContact CD2-CB 4.15Å; W571-E708 HydrophobicContact CG-CB 4.48Å; W571-E708 VanDerWaalsContact CZ2-CA 3.46Å; W571-E708 HydrophobicContact CZ2-CB 3.75Å; W571-E708 HydrophobicContact CZ2-CG 3.79Å
572	D	95.6	Very high	97.2	Very high	116 Å²	116	22 Å²	22	62%	0.62	12%	0.115	S	C	*	.	H	α-helix	trans	-67.8	-45.3	177.7	-71.9	-33.6	0	0	0	110.9	N570 L574 K575 T576	N570-D572 VanDerWaalsContact C-N 3.35Å; N570-D572 PolarHBondContact O-N 3.46Å; N570-D572 PolarHBondContact OD1-N 3.33Å; N570-D572 VanDerWaalsContact OD1-N 3.12Å; D572-L574 PolarHBondContact O-N 3.28Å; D572-K575 WeakPolarHBondContact O-CB 3.39Å; D572-K575 PolarHBondContact O-N 2.92Å; D572-K575 VanDerWaalsContact O-N 3.11Å; D572-T576 PolarHBondContact O-N 3.44Å; D572-T576 PolarHBondContact O-OG1 3.47Å
573	S	96.4	Very high	97.1	Very high	10 Å²	10	22 Å²	22	7%	0.07	12%	0.115	C	C	.	.	H	α-helix	trans	-64.4	-38.1	174.8	-67.1	0	0	0	0	112.2	L568 N570 K575 T576 S577	L568-S573 PolarHBondContact N-OG 2.84Å; L568-S573 WeakPolarHBondContact O-CB 3.38Å; L568-S573 PolarHBondContact O-OG 2.65Å; N570-S573 WeakPolarHBondContact OD1-CB 3.43Å; N570-S573 PolarHBondContact OD1-N 3.3Å; N570-S573 PolarHBondContact OD1-OG 2.85Å; S573-K575 VanDerWaalsContact C-N 3.3Å; S573-K575 PolarHBondContact O-N 3.45Å; S573-T576 PolarHBondContact O-N 2.9Å; S573-S577 PolarHBondContact O-N 3.21Å
574	L	98	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-55.4	-46.9	169.8	171.4	68.6	0	0	0	110.9	N570 W571 D572 S577 L607 R610 W611 L614 L706	N570-L574 PolarHBondContact O-N 2.99Å; N570-L574 VanDerWaalsContact O-N 3.17Å; W571-L574 HydrophobicContact CE3-CD2 3.75Å; W571-L574 HydrophobicContact CZ3-CD2 3.95Å; W571-L574 WeakPolarHBondContact O-CB 3.48Å; W571-L574 PolarHBondContact O-N 3.46Å; D572-L574 PolarHBondContact O-N 3.28Å; L574-S577 WeakPolarHBondContact O-CB 3.37Å; L574-S577 PolarHBondContact O-N 2.68Å; L574-S577 PolarHBondContact O-OG 2.87Å; L574-L607 HydrophobicContact CB-CD1 4.23Å; L574-L607 HydrophobicContact CD2-CD1 3.98Å; L574-R610 HydrophobicContact CD2-CB 4.28Å; L574-W611 HydrophobicContact CB-CD2 4.14Å; L574-W611 HydrophobicContact CB-CE3 4.11Å; L574-W611 HydrophobicContact CB-CZ3 4.3Å; L574-W611 HydrophobicContact CD1-CB 3.82Å; L574-W611 VanDerWaalsContact CD1-CD1 3.46Å; L574-W611 HydrophobicContact CD1-CD2 3.67Å; L574-W611 HydrophobicContact CD1-CE3 4.37Å; L574-W611 HydrophobicContact CD1-CG 3.4Å; L574-W611 VanDerWaalsContact CD1-CG 3.4Å; L574-W611 HydrophobicContact CG-CD2 4.49Å; L574-L614 HydrophobicContact CD1-CB 4.31Å; L574-L614 HydrophobicContact CD1-CD2 3.55Å; L574-L614 HydrophobicContact CD1-CG 4.5Å; L574-L614 HydrophobicContact CG-CD2 4.37Å; L574-L706 HydrophobicContact CD1-CD2 4.44Å; L574-L706 HydrophobicContact CD2-CD2 4.08Å; L574-L706 HydrophobicContact CG-CD2 3.85Å
575	K	97	Very high	97.1	Very high	85 Å²	85	21.8 Å²	21.8	37%	0.37	11%	0.113	S	C	.	.	H	α-helix	trans	-67.7	-45.7	179.6	-179.2	174.2	-177	174.4	0	112.6	W571 D572 S573 S577 V578 L706	W571-K575 PolarHBondContact O-N 2.86Å; D572-K575 WeakPolarHBondContact O-CB 3.39Å; D572-K575 PolarHBondContact O-N 2.92Å; D572-K575 VanDerWaalsContact O-N 3.11Å; S573-K575 VanDerWaalsContact C-N 3.3Å; S573-K575 PolarHBondContact O-N 3.45Å; K575-S577 PolarHBondContact O-N 2.76Å; K575-V578 PolarHBondContact O-N 2.63Å; K575-L706 HydrophobicContact CB-CB 4.39Å; K575-L706 HydrophobicContact CB-CD1 4.36Å; K575-L706 HydrophobicContact CG-CD1 4.07Å
576	T	95.6	Very high	97.3	Very high	30 Å²	30	21.8 Å²	21.8	18%	0.184	11%	0.113	C	C	.	.	H	α-helix	trans	-60.5	-32	177.7	-68.3	0	0	0	0	111.9	E209 D572 S573 V578 V579 Q580	E209-T576 HydrophobicContact CB-CG2 4.4Å; E209-T576 VanDerWaalsContact CD-CG2 3.47Å; E209-T576 HydrophobicContact CG-CG2 3.59Å; E209-T576 WeakPolarHBondContact OE1-CB 3.44Å; E209-T576 WeakPolarHBondContact OE1-CG2 3.49Å; E209-T576 PolarHBondContact OE1-OG1 2.88Å; D572-T576 PolarHBondContact O-N 3.44Å; D572-T576 PolarHBondContact O-OG1 3.47Å; S573-T576 PolarHBondContact O-N 2.9Å; T576-V578 PolarHBondContact O-N 3.09Å; T576-V579 WeakPolarHBondContact O-CB 3.41Å; T576-V579 PolarHBondContact O-N 3.33Å; T576-Q580 HydrophobicContact CG2-CG 4.12Å; T576-Q580 PolarHBondContact O-N 3.43Å; T576-Q580 VanDerWaalsContact O-N 3.08Å
577	S	97.6	Very high	97.4	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.014	11%	0.107	C	C	.	.	H	α-helix	trans	-54.6	-39.2	178.1	76.9	0	0	0	0	112.8	S573 L574 K575 V579 Q580 I581 Y618	S573-S577 PolarHBondContact O-N 3.21Å; L574-S577 WeakPolarHBondContact O-CB 3.37Å; L574-S577 PolarHBondContact O-N 2.68Å; L574-S577 PolarHBondContact O-OG 2.87Å; K575-S577 PolarHBondContact O-N 2.76Å; S577-V579 VanDerWaalsContact C-N 3.25Å; S577-V579 PolarHBondContact O-N 3.13Å; S577-Q580 PolarHBondContact O-N 3.5Å; S577-Q580 VanDerWaalsContact O-N 3.17Å; S577-I581 WeakPolarHBondContact O-CD1 3.38Å; S577-I581 PolarHBondContact O-N 2.77Å; S577-Y618 VanDerWaalsContact CB-OH 3.23Å; S577-Y618 WeakPolarHBondContact CB-OH 3.41Å; S577-Y618 PolarHBondContact OG-OH 3.01Å
578	V	97.8	Very high	97.5	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-57.6	-43.7	179.1	178	0	0	0	0	110.4	K575 T576 I582 L614 F694 L706	K575-V578 PolarHBondContact O-N 2.63Å; T576-V578 PolarHBondContact O-N 3.09Å; V578-I582 HydrophobicContact CG1-CD1 4.16Å; V578-I582 WeakPolarHBondContact O-CD1 3.3Å; V578-I582 VanDerWaalsContact O-CG1 3.27Å; V578-I582 WeakPolarHBondContact O-CG1 3.4Å; V578-I582 PolarHBondContact O-N 3.01Å; V578-L614 HydrophobicContact CG2-CD1 4.19Å; V578-L614 HydrophobicContact CG2-CD2 3.78Å; V578-F694 HydrophobicContact CG1-CD1 4.05Å; V578-L706 HydrophobicContact CG2-CD1 4.43Å
579	V	96.4	Very high	97.5	Very high	11 Å²	11	17.8 Å²	17.8	7%	0.067	9%	0.092	C	C	.	.	H	α-helix	trans	-65.2	-47.1	178.5	168.4	0	0	0	0	111.1	Y212 T576 S577 I582 N583 N691	Y212-V579 VanDerWaalsContact CB-CG1 3.45Å; Y212-V579 VanDerWaalsContact CB-CG2 3.49Å; Y212-V579 HydrophobicContact CD1-CG2 4.05Å; Y212-V579 HydrophobicContact CD2-CG1 3.57Å; Y212-V579 HydrophobicContact CE2-CG1 4.42Å; Y212-V579 HydrophobicContact CG-CB 4.23Å; Y212-V579 HydrophobicContact CG-CG1 3.62Å; Y212-V579 HydrophobicContact CG-CG2 3.8Å; T576-V579 WeakPolarHBondContact O-CB 3.41Å; T576-V579 PolarHBondContact O-N 3.33Å; S577-V579 VanDerWaalsContact C-N 3.25Å; S577-V579 PolarHBondContact O-N 3.13Å; V579-I582 PolarHBondContact O-N 3.15Å; V579-N583 PolarHBondContact O-N 2.89Å; V579-N691 HydrophobicContact CG2-CB 4.36Å
580	Q	96.8	Very high	97.6	Very high	7 Å²	7	17.1 Å²	17.1	3%	0.033	9%	0.087	C	C	.	.	H	α-helix	trans	-64.3	-42.9	-178.7	-66.9	-57.8	-18.1	0	0	112	I208 T564 T576 S577 I582 N583 F584	I208-Q580 PolarHBondContact O-NE2 2.92Å; T564-Q580 HydrophobicContact CG2-CB 3.6Å; T564-Q580 HydrophobicContact CG2-CG 4.28Å; T576-Q580 HydrophobicContact CG2-CG 4.12Å; T576-Q580 PolarHBondContact O-N 3.43Å; T576-Q580 VanDerWaalsContact O-N 3.08Å; S577-Q580 PolarHBondContact O-N 3.5Å; S577-Q580 VanDerWaalsContact O-N 3.17Å; Q580-I582 VanDerWaalsContact C-N 3.27Å; Q580-I582 PolarHBondContact O-N 3.14Å; Q580-N583 PolarHBondContact O-N 3.48Å; Q580-N583 VanDerWaalsContact O-N 3.15Å; Q580-F584 WeakPolarHBondContact O-CD2 3.3Å; Q580-F584 PolarHBondContact O-N 2.78Å
581	I	98.1	Very high	97.6	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-59.4	-40.6	177.2	-83.7	77.3	0	0	0	110.7	T564 S577 N585 V592 A594 Y618 A674	T564-I581 HydrophobicContact CG2-CD1 4.39Å; S577-I581 WeakPolarHBondContact O-CD1 3.38Å; S577-I581 PolarHBondContact O-N 2.77Å; I581-N585 PolarHBondContact O-N 3.39Å; I581-N585 VanDerWaalsContact O-N 3.14Å; I581-N585 PolarHBondContact O-ND2 3.44Å; I581-V592 HydrophobicContact CB-CG1 4.43Å; I581-V592 HydrophobicContact CG1-CG1 4.23Å; I581-V592 HydrophobicContact CG2-CG1 4.35Å; I581-A594 HydrophobicContact CD1-CB 4.42Å; I581-Y618 HydrophobicContact CD1-CD1 3.94Å; I581-Y618 HydrophobicContact CD1-CE1 3.83Å; I581-Y618 HydrophobicContact CD1-CG 4.39Å; I581-Y618 HydrophobicContact CG1-CD1 3.8Å; I581-Y618 HydrophobicContact CG1-CE1 4.16Å; I581-Y618 HydrophobicContact CG1-CG 4.28Å; I581-A674 HydrophobicContact CG2-CB 3.64Å
582	I	97.7	Very high	97.6	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-67.3	-44.3	176.4	-63.1	162.6	0	0	0	111.2	Y212 V578 V579 Q580 N585 M586 A676 F679 F694	Y212-I582 HydrophobicContact CE1-CD1 4.39Å; Y212-I582 WeakPolarHBondContact OH-CG2 3.28Å; V578-I582 HydrophobicContact CG1-CD1 4.16Å; V578-I582 WeakPolarHBondContact O-CD1 3.3Å; V578-I582 VanDerWaalsContact O-CG1 3.27Å; V578-I582 WeakPolarHBondContact O-CG1 3.4Å; V578-I582 PolarHBondContact O-N 3.01Å; V579-I582 PolarHBondContact O-N 3.15Å; Q580-I582 VanDerWaalsContact C-N 3.27Å; Q580-I582 PolarHBondContact O-N 3.14Å; I582-N585 WeakPolarHBondContact O-CB 3.47Å; I582-N585 PolarHBondContact O-N 3.36Å; I582-M586 PolarHBondContact O-N 3.1Å; I582-A676 HydrophobicContact CG2-CB 4.06Å; I582-F679 HydrophobicContact CG2-CE2 3.79Å; I582-F679 HydrophobicContact CG2-CZ 4.19Å; I582-F694 HydrophobicContact CD1-CB 4.06Å; I582-F694 HydrophobicContact CG1-CB 4.22Å
583	N	97.2	Very high	97.8	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-60.6	-46.3	179.1	-78.6	-24.6	0	0	0	111.7	Y212 V579 Q580 N585 M586 F587	Y212-N583 WeakPolarHBondContact CE2-OD1 3.49Å; V579-N583 PolarHBondContact O-N 2.89Å; Q580-N583 PolarHBondContact O-N 3.48Å; Q580-N583 VanDerWaalsContact O-N 3.15Å; N583-N585 VanDerWaalsContact C-N 3.32Å; N583-N585 PolarHBondContact O-N 3.18Å; N583-M586 CarbonylContact O-C 3.09Å; N583-M586 WeakPolarHBondContact O-CA 3.37Å; N583-M586 VanDerWaalsContact O-CB 3.25Å; N583-M586 WeakPolarHBondContact O-CB 3.13Å; N583-M586 PolarHBondContact O-N 3.11Å; N583-F587 HydrophobicContact CB-CD2 4.38Å; N583-F587 HydrophobicContact CB-CE2 3.71Å; N583-F587 HydrophobicContact CB-CZ 3.95Å; N583-F587 WeakPolarHBondContact O-CD2 3.22Å; N583-F587 WeakPolarHBondContact O-CG 3.36Å; N583-F587 PolarHBondContact O-N 3.33Å
584	F	98.4	Very high	97.9	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-67.5	-31.3	178.4	-87.6	-81.3	0	0	0	113.4	E207 H241 H562 Q580 M586 F587 G588 I589 V592	E207-F584 HydrophobicContact CB-CZ 4.16Å; E207-F584 HydrophobicContact CG-CE2 3.86Å; E207-F584 HydrophobicContact CG-CZ 3.85Å; H241-F584 AromaticContact NE2-CE1 3.59Å; H562-F584 HydrophobicContact CB-CD1 4.46Å; H562-F584 HydrophobicContact CB-CE1 4.45Å; H562-F584 AromaticContact CD2-CD1 3.56Å; H562-F584 AromaticContact CD2-CD2 3.87Å; H562-F584 AromaticContact CD2-CE1 3.2Å; H562-F584 WeakPolarHBondContact CD2-CE1 3.38Å; H562-F584 AromaticContact CD2-CE2 3.54Å; H562-F584 AromaticContact CD2-CG 3.88Å; H562-F584 AromaticContact CD2-CZ 3.2Å; H562-F584 WeakPolarHBondContact CD2-CZ 3.31Å; H562-F584 AromaticContact CE1-CZ 3.78Å; H562-F584 AromaticContact CG-CE1 3.75Å; H562-F584 AromaticContact NE2-CE1 3.46Å; H562-F584 WeakPolarHBondContact NE2-CE1 3.48Å; H562-F584 AromaticContact NE2-CE2 3.38Å; H562-F584 WeakPolarHBondContact NE2-CE2 3.24Å; H562-F584 AromaticContact NE2-CZ 2.98Å; H562-F584 WeakPolarHBondContact NE2-CZ 3.31Å; Q580-F584 WeakPolarHBondContact O-CD2 3.3Å; Q580-F584 PolarHBondContact O-N 2.78Å; F584-M586 VanDerWaalsContact C-N 3.27Å; F584-M586 PolarHBondContact O-N 3.47Å; F584-F587 HydrophobicContact CD1-CD2 4.18Å; F584-F587 HydrophobicContact CE1-CD2 4.45Å; F584-F587 HydrophobicContact CG-CD2 4.25Å; F584-F587 PolarHBondContact O-N 3.06Å; F584-G588 PolarHBondContact O-N 3.4Å; F584-I589 CarbonylContact C-O 3.51Å; F584-I589 HydrophobicContact CD1-CB 4.1Å; F584-I589 HydrophobicContact CD1-CD1 4Å; F584-I589 HydrophobicContact CD1-CG1 4.38Å; F584-I589 HydrophobicContact CE1-CD1 4.16Å; F584-I589 CarbonylContact O-C 3.57Å; F584-I589 WeakPolarHBondContact O-CA 3.21Å; F584-I589 PolarHBondContact O-N 3.12Å; F584-V592 HydrophobicContact CB-CB 3.92Å; F584-V592 HydrophobicContact CB-CG1 3.75Å; F584-V592 HydrophobicContact CB-CG2 3.74Å; F584-V592 HydrophobicContact CD2-CG2 4.17Å; F584-V592 HydrophobicContact CG-CG2 3.94Å
585	N	98.6	Very high	97.9	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-64.2	-32.8	166.7	-87.8	-98.1	0	0	0	112.1	Y301 I581 I582 N583 P590 T672 V673 A674	Y301-N585 PolarHBondContact OH-O 3.18Å; I581-N585 PolarHBondContact O-N 3.39Å; I581-N585 VanDerWaalsContact O-N 3.14Å; I581-N585 PolarHBondContact O-ND2 3.44Å; I582-N585 WeakPolarHBondContact O-CB 3.47Å; I582-N585 PolarHBondContact O-N 3.36Å; N583-N585 VanDerWaalsContact C-N 3.32Å; N583-N585 PolarHBondContact O-N 3.18Å; N585-P590 WeakPolarHBondContact OD1-CB 3.3Å; N585-T672 HydrophobicContact CB-CG2 4.07Å; N585-T672 VanDerWaalsContact O-CG2 3.29Å; N585-T672 WeakPolarHBondContact O-CG2 3.48Å; N585-V673 WeakPolarHBondContact OD1-CA 3.47Å; N585-V673 WeakPolarHBondContact OD1-CB 3.26Å; N585-V673 PolarHBondContact OD1-N 3.5Å; N585-A674 WeakPolarHBondContact CB-O 3.4Å; N585-A674 PolarHBondContact OD1-N 2.9Å; N585-A674 PolarHBondContact OD1-O 2.97Å
586	M	97.9	Very high	98	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-72.9	-32.4	172.4	-176.7	-176.1	65.3	0	0	111.9	F203 F243 M245 I297 I582 N583 F584 G588	F203-M586 HydrophobicContact CB-CE 3.98Å; F203-M586 HydrophobicContact CB-SD 3.64Å; F243-M586 HydrophobicContact CD1-CE 3.94Å; F243-M586 HydrophobicContact CD1-CG 3.81Å; F243-M586 HydrophobicContact CD1-SD 3.96Å; F243-M586 HydrophobicContact CE1-CE 4.38Å; F243-M586 HydrophobicContact CE1-CG 3.54Å; F243-M586 HydrophobicContact CE1-SD 3.77Å; M245-M586 HydrophobicContact CB-SD 4.11Å; M245-M586 HydrophobicContact CE-SD 3.94Å; I297-M586 HydrophobicContact CD1-CB 4.34Å; I297-M586 HydrophobicContact CD1-CG 4.04Å; I297-M586 HydrophobicContact CG1-CG 4Å; I582-M586 PolarHBondContact O-N 3.1Å; N583-M586 CarbonylContact O-C 3.09Å; N583-M586 WeakPolarHBondContact O-CA 3.37Å; N583-M586 VanDerWaalsContact O-CB 3.25Å; N583-M586 WeakPolarHBondContact O-CB 3.13Å; N583-M586 PolarHBondContact O-N 3.11Å; F584-M586 VanDerWaalsContact C-N 3.27Å; F584-M586 PolarHBondContact O-N 3.47Å; M586-G588 VanDerWaalsContact C-N 3.29Å; M586-G588 PolarHBondContact O-N 3.36Å
587	F	98.4	Very high	98.2	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	4.5	-177.1	-57.6	-33.7	0	0	0	115.4	H241 F243 N583 F584	H241-F587 HydrophobicContact CB-CB 4.34Å; H241-F587 HydrophobicContact CB-CD1 3.77Å; H241-F587 HydrophobicContact CB-CD2 3.76Å; H241-F587 HydrophobicContact CB-CE1 3.91Å; H241-F587 HydrophobicContact CB-CE2 3.91Å; H241-F587 HydrophobicContact CB-CG 3.71Å; H241-F587 HydrophobicContact CB-CZ 4Å; H241-F587 AromaticContact CD2-CD2 3.79Å; H241-F587 AromaticContact CG-CD2 3.64Å; H241-F587 AromaticContact CG-CG 3.73Å; F243-F587 HydrophobicContact CB-CD1 4.31Å; F243-F587 HydrophobicContact CB-CE1 4.47Å; F243-F587 HydrophobicContact CD1-CD1 4.48Å; N583-F587 HydrophobicContact CB-CD2 4.38Å; N583-F587 HydrophobicContact CB-CE2 3.71Å; N583-F587 HydrophobicContact CB-CZ 3.95Å; N583-F587 WeakPolarHBondContact O-CD2 3.22Å; N583-F587 WeakPolarHBondContact O-CG 3.36Å; N583-F587 PolarHBondContact O-N 3.33Å; F584-F587 HydrophobicContact CD1-CD2 4.18Å; F584-F587 HydrophobicContact CE1-CD2 4.45Å; F584-F587 HydrophobicContact CG-CD2 4.25Å; F584-F587 PolarHBondContact O-N 3.06Å
588	G	98.3	Very high	98.2	Very high	2 Å²	2	2.1 Å²	2.1	2%	0.021	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	3.8	-178	0	0	0	0	0	115	Y301 G557 F584 M586 P590	Y301-G588 VanDerWaalsContact OH-CA 3.26Å; Y301-G588 WeakPolarHBondContact OH-CA 3.42Å; Y301-G588 PolarHBondContact OH-N 2.83Å; G557-G588 WeakPolarHBondContact CA-O 3.48Å; F584-G588 PolarHBondContact O-N 3.4Å; M586-G588 VanDerWaalsContact C-N 3.29Å; M586-G588 PolarHBondContact O-N 3.36Å; G588-P590 VanDerWaalsContact O-CD 3.24Å; G588-P590 WeakPolarHBondContact O-CD 3.41Å
589	I	98.8	Very high	98.2	Very high	2 Å²	2	3 Å²	3	1%	0.01	2%	0.016	C	C	.	.			trans	-121.8	69.2	-173.6	-42.4	-174.8	0	0	0	109.6	H562 F584 M591	H562-I589 HydrophobicContact CB-CG2 3.81Å; F584-I589 CarbonylContact C-O 3.51Å; F584-I589 HydrophobicContact CD1-CB 4.1Å; F584-I589 HydrophobicContact CD1-CD1 4Å; F584-I589 HydrophobicContact CD1-CG1 4.38Å; F584-I589 HydrophobicContact CE1-CD1 4.16Å; F584-I589 CarbonylContact O-C 3.57Å; F584-I589 WeakPolarHBondContact O-CA 3.21Å; F584-I589 PolarHBondContact O-N 3.12Å; I589-M591 PolarHBondContact O-N 3.23Å
590	P	98.7	Very high	98.3	Very high	2 Å²	2	3.9 Å²	3.9	1%	0.013	2%	0.021	C	C	.	.			trans	-67.4	-23.2	-175.8	27.3	-35.4	0	0	0	113.1	P307 N585 G588 V592 P619 F663 V673	P307-P590 HydrophobicContact CB-CG 3.91Å; P307-P590 HydrophobicContact CG-CG 3.58Å; N585-P590 WeakPolarHBondContact OD1-CB 3.3Å; G588-P590 VanDerWaalsContact O-CD 3.24Å; G588-P590 WeakPolarHBondContact O-CD 3.41Å; P590-V592 VanDerWaalsContact C-N 3.28Å; P590-V592 PolarHBondContact O-N 3.41Å; P590-P619 WeakPolarHBondContact O-CB 3.44Å; P590-P619 VanDerWaalsContact O-CG 3.22Å; P590-P619 WeakPolarHBondContact O-CG 3.21Å; P590-F663 HydrophobicContact CB-CD1 4.5Å; P590-F663 HydrophobicContact CB-CE1 3.94Å; P590-F663 HydrophobicContact CG-CD1 4.17Å; P590-F663 HydrophobicContact CG-CE1 3.83Å; P590-V673 HydrophobicContact CB-CB 4.16Å; P590-V673 HydrophobicContact CB-CG2 3.71Å
591	M	98.7	Very high	98.3	Very high	13 Å²	13	4.8 Å²	4.8	6%	0.064	3%	0.032	C	C	.	.	S	Bend	trans	-80.9	76.7	175.3	-166	64.9	-175.3	0	0	109.8	P310 S314 L315 F546 A561 H562 I589 F620 F663	P310-M591 HydrophobicContact CB-SD 4.39Å; P310-M591 HydrophobicContact CG-SD 4.22Å; S314-M591 WeakPolarHBondContact O-CE 3.24Å; L315-M591 HydrophobicContact CD2-CE 3.95Å; L315-M591 HydrophobicContact CD2-SD 3.82Å; F546-M591 HydrophobicContact CE2-CE 4.32Å; A561-M591 VanDerWaalsContact CA-O 3.31Å; A561-M591 WeakPolarHBondContact CA-O 3.38Å; A561-M591 HydrophobicContact CB-CB 3.81Å; A561-M591 HydrophobicContact CB-CG 3.45Å; A561-M591 VanDerWaalsContact CB-CG 3.45Å; A561-M591 VanDerWaalsContact CB-O 3.32Å; A561-M591 WeakPolarHBondContact CB-O 3.26Å; H562-M591 PolarHBondContact N-O 2.78Å; I589-M591 PolarHBondContact O-N 3.23Å; M591-F620 HydrophobicContact CE-CB 3.91Å; M591-F620 HydrophobicContact CE-CD2 3.87Å; M591-F620 HydrophobicContact CE-CG 4.34Å; M591-F620 HydrophobicContact CG-CB 4.38Å; M591-F620 HydrophobicContact SD-CB 4.32Å; M591-F663 HydrophobicContact CB-CE1 3.84Å; M591-F663 HydrophobicContact CB-CZ 4.02Å; M591-F663 HydrophobicContact CG-CZ 4.36Å; M591-F663 HydrophobicContact SD-CE1 4.03Å; M591-F663 HydrophobicContact SD-CE2 4.1Å; M591-F663 HydrophobicContact SD-CZ 3.41Å; M591-F663 WeakPolarHBondContact SD-CZ 3.32Å
592	V	98.9	Very high	98.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	149.6	-174.6	62.8	0	0	0	0	112.5	H562 T564 I581 F584 P590 P619 F620	H562-V592 VanDerWaalsContact O-CA 3.29Å; H562-V592 WeakPolarHBondContact O-CA 3.24Å; T564-V592 HydrophobicContact CG2-CG2 4.45Å; I581-V592 HydrophobicContact CB-CG1 4.43Å; I581-V592 HydrophobicContact CG1-CG1 4.23Å; I581-V592 HydrophobicContact CG2-CG1 4.35Å; F584-V592 HydrophobicContact CB-CB 3.92Å; F584-V592 HydrophobicContact CB-CG1 3.75Å; F584-V592 HydrophobicContact CB-CG2 3.74Å; F584-V592 HydrophobicContact CD2-CG2 4.17Å; F584-V592 HydrophobicContact CG-CG2 3.94Å; P590-V592 VanDerWaalsContact C-N 3.28Å; P590-V592 PolarHBondContact O-N 3.41Å; V592-P619 VanDerWaalsContact O-CD 3.3Å; V592-P619 WeakPolarHBondContact O-CD 3.03Å; V592-F620 PolarHBondContact O-N 3.17Å
593	G	98.7	Very high	98.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	169.5	175.4	0	0	0	0	0	112.2	H562 W563 T564 F620	H562-G593 PolarHBondContact O-N 3.36Å; W563-G593 WeakPolarHBondContact CA-O 3.33Å; W563-G593 WeakPolarHBondContact CB-O 3.4Å; T564-G593 PolarHBondContact N-O 2.91Å; T564-G593 VanDerWaalsContact N-O 3.08Å; G593-F620 WeakPolarHBondContact CA-O 3.49Å
594	A	98.6	Very high	98.4	Very high	2 Å²	2	12.4 Å²	12.4	2%	0.017	8%	0.076	C	C	.	.			trans	-107.3	158.1	168.4	0	0	0	0	0	109.6	T564 I581 I596 Y618	T564-A594 WeakPolarHBondContact OG1-CA 3.24Å; T564-A594 VanDerWaalsContact OG1-CB 3.3Å; T564-A594 WeakPolarHBondContact OG1-CB 3.36Å; I581-A594 HydrophobicContact CD1-CB 4.42Å; A594-I596 PolarHBondContact O-N 3.13Å; A594-I596 VanDerWaalsContact O-N 3.09Å; A594-Y618 HydrophobicContact CB-CE2 3.95Å
595	D	98.7	Very high	98.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	111.3	175	-70.9	-30.9	0	0	0	110.2	W563 V567 C597 G598 F599 R622 H624	W563-D595 PolarHBondContact NE1-OD2 3.14Å; V567-D595 HydrophobicContact CG2-CB 4.27Å; D595-C597 PolarHBondContact O-N 2.83Å; D595-G598 WeakPolarHBondContact O-CA 3.39Å; D595-G598 PolarHBondContact O-N 3.25Å; D595-F599 HydrophobicContact CB-CB 4.27Å; D595-R622 IonicContact OD1-CZ 2.77Å; D595-R622 VanDerWaalsContact OD1-CZ 3.31Å; D595-R622 IonicContact OD1-NE 2.68Å; D595-R622 PolarHBondContact OD1-NE 3.39Å; D595-R622 IonicContact OD1-NH2 2.92Å; D595-R622 PolarHBondContact OD1-NH2 2.77Å; D595-R622 IonicContact OD2-NH2 3.82Å; D595-R622 PolarHBondContact OD2-NH2 2.79Å; D595-H624 HydrophobicContact CB-CB 4.15Å; D595-H624 WeakPolarHBondContact OD1-CB 3.41Å; D595-H624 IonicContact OD2-CD2 2.71Å; D595-H624 PolarHBondContact OD2-CD2 3.43Å
596	I	98.9	Very high	98.4	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	131.6	-173.4	-66.5	168.9	0	0	0	109.1	F317 A594 G598 W611 Y618 S621 R622 N623	F317-I596 HydrophobicContact CE2-CD1 4.05Å; A594-I596 PolarHBondContact O-N 3.13Å; A594-I596 VanDerWaalsContact O-N 3.09Å; I596-G598 VanDerWaalsContact C-N 3.25Å; I596-W611 HydrophobicContact CG2-CB 4.36Å; I596-W611 HydrophobicContact CG2-CG 4.44Å; I596-Y618 HydrophobicContact CG1-CD2 4.35Å; I596-Y618 HydrophobicContact CG1-CE2 4.2Å; I596-S621 WeakPolarHBondContact CD1-OG 3.2Å; I596-R622 WeakPolarHBondContact CB-O 3.42Å; I596-R622 VanDerWaalsContact CG1-O 3.3Å; I596-R622 WeakPolarHBondContact CG1-O 3.43Å; I596-R622 PolarHBondContact N-O 3.3Å; I596-N623 HydrophobicContact CB-CB 4.28Å; I596-N623 PolarHBondContact O-ND2 2.98Å
597	C	98.7	Very high	98.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-8.1	-171.8	-48.7	0	0	0	0	115.3	S569 D595 T603 C608 W611 Q632	S569-C597 PolarHBondContact OG-O 2.77Å; D595-C597 PolarHBondContact O-N 2.83Å; C597-T603 HydrophobicContact CB-CG2 4.09Å; C597-T603 WeakPolarHBondContact O-CB 3.42Å; C597-T603 PolarHBondContact O-OG1 3.09Å; C597-C608 HydrophobicContact CB-CB 3.68Å; C597-C608 WeakPolarHBondContact CB-SG 3.42Å; C597-C608 WeakPolarHBondContact SG-CA 3.45Å; C597-C608 WeakPolarHBondContact SG-CB 3.34Å; C597-C608 PolarHBondContact SG-O 3.26Å; C597-C608 CovalentContact SG-SG 2.03Å; C597-C608 PolarHBondContact SG-SG 2.98Å; C597-W611 VanDerWaalsContact C-CZ3 3.47Å; C597-W611 VanDerWaalsContact CA-CE3 3.47Å; C597-W611 VanDerWaalsContact N-CD2 3.31Å; C597-Q632 HydrophobicContact CB-CG 4.43Å
598	G	98.3	Very high	98.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.102	C	C	.	.			trans	95.1	152.8	-177.8	0	0	0	0	0	112.2	S569 D595 I596 W611 Q632	S569-G598 VanDerWaalsContact OG-C 3.25Å; S569-G598 WeakPolarHBondContact OG-CA 3.37Å; S569-G598 PolarHBondContact OG-O 2.78Å; D595-G598 WeakPolarHBondContact O-CA 3.39Å; D595-G598 PolarHBondContact O-N 3.25Å; I596-G598 VanDerWaalsContact C-N 3.25Å; G598-W611 VanDerWaalsContact CA-CZ3 3.5Å; G598-W611 VanDerWaalsContact N-CZ3 3.29Å; G598-Q632 PolarHBondContact O-NE2 3.09Å
599	F	98.2	Very high	98.5	Very high	19 Å²	19	18.1 Å²	18.1	8%	0.083	10%	0.102	C	C	.	.	S	Bend	trans	-96.7	-54.8	178.7	173.4	-100.6	0	0	0	111.5	D566 V567 D595 H624 N625 E626	D566-F599 HydrophobicContact CB-CD1 3.52Å; D566-F599 HydrophobicContact CB-CE1 3.83Å; D566-F599 HydrophobicContact CB-CG 4.44Å; V567-F599 WeakPolarHBondContact O-CA 3.43Å; V567-F599 WeakPolarHBondContact O-CB 3.21Å; V567-F599 PolarHBondContact O-N 3.09Å; D595-F599 HydrophobicContact CB-CB 4.27Å; F599-H624 AromaticContact CD2-CD2 3.54Å; F599-H624 AromaticContact CD2-NE2 3.66Å; F599-H624 AromaticContact CE2-CD2 3.77Å; F599-H624 AromaticContact CE2-NE2 3.35Å; F599-H624 WeakPolarHBondContact CE2-NE2 3.48Å; F599-N625 PolarHBondContact O-OD1 2.81Å; F599-E626 HydrophobicContact CD1-CB 4.45Å; F599-E626 HydrophobicContact CD2-CB 4.37Å; F599-E626 HydrophobicContact CE1-CB 4.06Å; F599-E626 HydrophobicContact CE2-CB 3.96Å; F599-E626 HydrophobicContact CZ-CB 3.81Å; F599-E626 WeakPolarHBondContact O-CB 3.41Å; F599-E626 VanDerWaalsContact O-CG 3.31Å; F599-E626 WeakPolarHBondContact O-CG 3.45Å; F599-E626 PolarHBondContact O-N 2.93Å
600	T	97.2	Very high	98.5	Very high	30 Å²	30	18.2 Å²	18.2	18%	0.184	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-86.6	125.8	-176.7	-54.2	0	0	0	0	111.4	N230 D566 V567 L568 S569	N230-T600 PolarHBondContact ND2-OG1 3.28Å; D566-T600 PolarHBondContact O-OG1 3.32Å; V567-T600 PolarHBondContact O-N 3.02Å; L568-T600 HydrophobicContact CD2-CG2 3.9Å; S569-T600 WeakPolarHBondContact CB-O 3.37Å; S569-T600 PolarHBondContact N-O 2.84Å; S569-T600 PolarHBondContact OG-O 2.69Å
601	G	97.1	Very high	98.5	Very high	26 Å²	26	18.1 Å²	18.1	27%	0.268	10%	0.102	S	C	.	.	S	Bend	trans	84.5	165.7	176.8	0	0	0	0	0	113.8	S569 T603 E626	S569-G601 WeakPolarHBondContact CB-O 3.11Å; S569-G601 PolarHBondContact OG-O 3.47Å; G601-T603 PolarHBondContact O-N 2.84Å; G601-E626 WeakPolarHBondContact CA-OE1 3.41Å; G601-E626 VanDerWaalsContact N-CD 3.33Å; G601-E626 PolarHBondContact N-OE1 3.33Å
602	N	98.2	Very high	98.5	Very high	97 Å²	97	17.6 Å²	17.6	52%	0.519	10%	0.099	S	C	.	.			trans	-69.2	125.7	177.4	-68.7	-40	0	0	0	111.5	A629 M630	N602-A629 WeakPolarHBondContact OD1-CA 3.32Å; N602-M630 HydrophobicContact CB-CG 4.2Å; N602-M630 HydrophobicContact CB-SD 4.15Å; N602-M630 WeakPolarHBondContact OD1-CG 3.33Å; N602-M630 PolarHBondContact OD1-N 2.99Å
603	T	98.5	Very high	98.5	Very high	6 Å²	6	17.7 Å²	17.7	4%	0.037	10%	0.1	C	C	.	.			trans	-76.4	173.9	168	-157.1	0	0	0	0	111.6	C597 G601 C608 Q632 W637	C597-T603 HydrophobicContact CB-CG2 4.09Å; C597-T603 WeakPolarHBondContact O-CB 3.42Å; C597-T603 PolarHBondContact O-OG1 3.09Å; G601-T603 PolarHBondContact O-N 2.84Å; T603-C608 HydrophobicContact CG2-CB 3.98Å; T603-Q632 HydrophobicContact CG2-CB 3.86Å; T603-Q632 VanDerWaalsContact CG2-OE1 3.25Å; T603-W637 HydrophobicContact CG2-CH2 3.64Å; T603-W637 HydrophobicContact CG2-CZ2 3.38Å
604	T	98.5	Very high	98.5	Very high	60 Å²	60	17.7 Å²	17.7	37%	0.368	10%	0.1	S	C	.	.			trans	-115.2	159.6	171.1	71	0	0	0	0	110.5	E606 L607 C608	T604-E606 VanDerWaalsContact C-N 3.31Å; T604-E606 PolarHBondContact O-N 2.81Å; T604-L607 PolarHBondContact O-N 3.24Å; T604-L607 VanDerWaalsContact OG1-CB 3.27Å; T604-L607 WeakPolarHBondContact OG1-CB 3.47Å; T604-L607 PolarHBondContact OG1-N 3.31Å; T604-C608 VanDerWaalsContact O-CB 3.31Å; T604-C608 WeakPolarHBondContact O-CB 3.37Å; T604-C608 PolarHBondContact O-N 3.12Å
605	E	98.5	Very high	98.5	Very high	70 Å²	70	17.6 Å²	17.6	33%	0.327	10%	0.099	S	C	.	.	H	α-helix	trans	-58	-44.4	178.2	-174.8	168.7	115.8	0	0	111.4	C608 I609 W637 S638 A641	E605-C608 PolarHBondContact O-N 3.48Å; E605-I609 HydrophobicContact CG-CD1 4.04Å; E605-I609 WeakPolarHBondContact O-CD1 3.02Å; E605-I609 WeakPolarHBondContact O-CG1 3.25Å; E605-I609 PolarHBondContact O-N 3.06Å; E605-W637 HydrophobicContact CB-CD2 4.33Å; E605-W637 HydrophobicContact CB-CE3 3.56Å; E605-W637 HydrophobicContact CB-CZ3 3.79Å; E605-W637 HydrophobicContact CG-CB 4.38Å; E605-W637 HydrophobicContact CG-CD2 4.25Å; E605-W637 HydrophobicContact CG-CE3 3.82Å; E605-S638 WeakPolarHBondContact OE1-CB 3.24Å; E605-S638 PolarHBondContact OE1-OG 2.96Å; E605-S638 VanDerWaalsContact OE2-CB 3.31Å; E605-S638 WeakPolarHBondContact OE2-CB 3.46Å; E605-S638 PolarHBondContact OE2-N 2.91Å; E605-S638 VanDerWaalsContact OE2-N 3.09Å; E605-S638 PolarHBondContact OE2-OG 3.07Å; E605-A641 HydrophobicContact CG-CB 3.63Å
606	E	98.7	Very high	98.5	Very high	48 Å²	48	17.6 Å²	17.6	22%	0.224	10%	0.099	C	C	.	.	H	α-helix	trans	-63.1	-49.1	177.8	-173.8	179.8	177.4	0	0	111.7	W571 T604 C608 I609 R610 G709 L744	W571-E606 HydrophobicContact CH2-CG 3.98Å; W571-E606 HydrophobicContact CZ2-CB 4.43Å; W571-E606 HydrophobicContact CZ2-CG 3.93Å; T604-E606 VanDerWaalsContact C-N 3.31Å; T604-E606 PolarHBondContact O-N 2.81Å; E606-C608 VanDerWaalsContact C-N 3.3Å; E606-C608 PolarHBondContact O-N 3.25Å; E606-I609 PolarHBondContact O-N 2.8Å; E606-R610 WeakPolarHBondContact O-CG 3.45Å; E606-R610 PolarHBondContact O-N 3.31Å; E606-G709 VanDerWaalsContact OE1-CA 3.31Å; E606-G709 WeakPolarHBondContact OE1-CA 3.48Å; E606-G709 PolarHBondContact OE1-N 3.38Å; E606-G709 PolarHBondContact OE2-N 2.79Å; E606-L744 HydrophobicContact CG-CD1 3.83Å
607	L	98.8	Very high	98.5	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-59	-45.1	178.8	177	60.1	0	0	0	110.5	W571 L574 T604 I609 R610 W611	W571-L607 HydrophobicContact CD2-CD1 3.81Å; W571-L607 HydrophobicContact CE3-CD1 4.05Å; W571-L607 HydrophobicContact CG-CD1 4.16Å; W571-L607 HydrophobicContact CZ2-CB 4.18Å; W571-L607 HydrophobicContact CZ2-CD1 4.4Å; W571-L607 HydrophobicContact CZ3-CD1 4.47Å; L574-L607 HydrophobicContact CB-CD1 4.23Å; L574-L607 HydrophobicContact CD2-CD1 3.98Å; T604-L607 PolarHBondContact O-N 3.24Å; T604-L607 VanDerWaalsContact OG1-CB 3.27Å; T604-L607 WeakPolarHBondContact OG1-CB 3.47Å; T604-L607 PolarHBondContact OG1-N 3.31Å; L607-I609 PolarHBondContact O-N 2.99Å; L607-R610 PolarHBondContact O-N 3.11Å; L607-W611 HydrophobicContact CD1-CE3 3.95Å; L607-W611 HydrophobicContact CD1-CZ3 4.48Å; L607-W611 HydrophobicContact CD2-CE3 4.37Å; L607-W611 HydrophobicContact CD2-CZ3 4.42Å; L607-W611 HydrophobicContact CG-CE3 4.07Å; L607-W611 VanDerWaalsContact O-CB 3.29Å; L607-W611 WeakPolarHBondContact O-CB 3.33Å; L607-W611 PolarHBondContact O-N 2.68Å
608	C	98.7	Very high	98.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-69	-33	-177.8	-167.3	0	0	0	0	112.6	C597 T603 T604 E605 E606 S612 W637	C597-C608 HydrophobicContact CB-CB 3.68Å; C597-C608 WeakPolarHBondContact CB-SG 3.42Å; C597-C608 WeakPolarHBondContact SG-CA 3.45Å; C597-C608 WeakPolarHBondContact SG-CB 3.34Å; C597-C608 PolarHBondContact SG-O 3.26Å; C597-C608 CovalentContact SG-SG 2.03Å; C597-C608 PolarHBondContact SG-SG 2.98Å; T603-C608 HydrophobicContact CG2-CB 3.98Å; T604-C608 VanDerWaalsContact O-CB 3.31Å; T604-C608 WeakPolarHBondContact O-CB 3.37Å; T604-C608 PolarHBondContact O-N 3.12Å; E605-C608 PolarHBondContact O-N 3.48Å; E606-C608 VanDerWaalsContact C-N 3.3Å; E606-C608 PolarHBondContact O-N 3.25Å; C608-S612 WeakPolarHBondContact O-CB 3.4Å; C608-S612 PolarHBondContact O-N 2.67Å; C608-S612 PolarHBondContact O-OG 3.37Å; C608-W637 HydrophobicContact CB-CZ2 3.88Å; C608-W637 PolarHBondContact SG-NE1 2.88Å
609	I	98.8	Very high	98.5	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-63.5	-50.6	169.6	-66.8	160.9	0	0	0	110.7	E605 E606 L607 W611 S612 Q613 A641 A644 I645 L744	E605-I609 HydrophobicContact CG-CD1 4.04Å; E605-I609 WeakPolarHBondContact O-CD1 3.02Å; E605-I609 WeakPolarHBondContact O-CG1 3.25Å; E605-I609 PolarHBondContact O-N 3.06Å; E606-I609 PolarHBondContact O-N 2.8Å; L607-I609 PolarHBondContact O-N 2.99Å; I609-W611 VanDerWaalsContact C-N 3.35Å; I609-W611 PolarHBondContact O-N 3.4Å; I609-S612 PolarHBondContact O-N 2.9Å; I609-Q613 WeakPolarHBondContact O-CB 3.21Å; I609-Q613 WeakPolarHBondContact O-CG 3.45Å; I609-Q613 PolarHBondContact O-N 3.06Å; I609-A641 HydrophobicContact CD1-CB 3.58Å; I609-A641 HydrophobicContact CG1-CB 3.79Å; I609-A644 HydrophobicContact CG2-CB 3.9Å; I609-I645 HydrophobicContact CG1-CD1 4.45Å; I609-I645 HydrophobicContact CG1-CG1 4.32Å; I609-L744 HydrophobicContact CB-CD1 4.16Å; I609-L744 HydrophobicContact CD1-CD1 4.15Å; I609-L744 HydrophobicContact CD1-CD2 3.7Å; I609-L744 HydrophobicContact CD1-CG 3.82Å; I609-L744 HydrophobicContact CG2-CD1 3.9Å; I609-L744 HydrophobicContact CG2-CG 4.08Å; I609-L744 WeakPolarHBondContact CG2-O 3.46Å
610	R	98.8	Very high	98.5	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.015	10%	0.096	C	C	.	.	H	α-helix	trans	-65	-38.3	-179.1	-66.4	-46.8	-167.9	176	2.7	112.4	W571 L574 E606 L607 Q613 L614 V705 R710 A742 P743 L744 V746	W571-R610 HydrophobicContact CH2-CB 4.06Å; W571-R610 HydrophobicContact CH2-CG 3.6Å; W571-R610 HydrophobicContact CZ3-CB 3.98Å; W571-R610 HydrophobicContact CZ3-CG 3.85Å; L574-R610 HydrophobicContact CD2-CB 4.28Å; E606-R610 WeakPolarHBondContact O-CG 3.45Å; E606-R610 PolarHBondContact O-N 3.31Å; L607-R610 PolarHBondContact O-N 3.11Å; R610-Q613 WeakPolarHBondContact O-CB 3.4Å; R610-Q613 PolarHBondContact O-N 3.17Å; R610-L614 PolarHBondContact O-N 3.1Å; R610-V705 HydrophobicContact CG-CG1 4.47Å; R610-R710 PolarHBondContact NH2-O 3.47Å; R610-A742 PolarHBondContact NH2-O 3.23Å; R610-P743 PolarHBondContact NH1-O 3.29Å; R610-P743 VanDerWaalsContact NH1-O 3.1Å; R610-L744 HydrophobicContact CG-CD1 4.43Å; R610-V746 PolarHBondContact NH1-O 2.98Å
611	W	98.8	Very high	98.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-69.7	-39.4	176.2	-148.3	-30.1	0	0	0	111.4	V567 L568 L574 I596 C597 G598 L607 I609 Q613 L614 G615 Y618	V567-W611 HydrophobicContact CG2-CH2 4.02Å; V567-W611 HydrophobicContact CG2-CZ2 4.05Å; L568-W611 WeakPolarHBondContact O-CH2 3.38Å; L574-W611 HydrophobicContact CB-CD2 4.14Å; L574-W611 HydrophobicContact CB-CE3 4.11Å; L574-W611 HydrophobicContact CB-CZ3 4.3Å; L574-W611 HydrophobicContact CD1-CB 3.82Å; L574-W611 VanDerWaalsContact CD1-CD1 3.46Å; L574-W611 HydrophobicContact CD1-CD2 3.67Å; L574-W611 HydrophobicContact CD1-CE3 4.37Å; L574-W611 HydrophobicContact CD1-CG 3.4Å; L574-W611 VanDerWaalsContact CD1-CG 3.4Å; L574-W611 HydrophobicContact CG-CD2 4.49Å; I596-W611 HydrophobicContact CG2-CB 4.36Å; I596-W611 HydrophobicContact CG2-CG 4.44Å; C597-W611 VanDerWaalsContact C-CZ3 3.47Å; C597-W611 VanDerWaalsContact CA-CE3 3.47Å; C597-W611 VanDerWaalsContact N-CD2 3.31Å; G598-W611 VanDerWaalsContact CA-CZ3 3.5Å; G598-W611 VanDerWaalsContact N-CZ3 3.29Å; L607-W611 HydrophobicContact CD1-CE3 3.95Å; L607-W611 HydrophobicContact CD1-CZ3 4.48Å; L607-W611 HydrophobicContact CD2-CE3 4.37Å; L607-W611 HydrophobicContact CD2-CZ3 4.42Å; L607-W611 HydrophobicContact CG-CE3 4.07Å; L607-W611 VanDerWaalsContact O-CB 3.29Å; L607-W611 WeakPolarHBondContact O-CB 3.33Å; L607-W611 PolarHBondContact O-N 2.68Å; I609-W611 VanDerWaalsContact C-N 3.35Å; I609-W611 PolarHBondContact O-N 3.4Å; W611-Q613 VanDerWaalsContact C-N 3.31Å; W611-Q613 PolarHBondContact O-N 2.96Å; W611-L614 PolarHBondContact O-N 3.33Å; W611-G615 WeakPolarHBondContact O-CA 3.07Å; W611-G615 PolarHBondContact O-N 3.34Å; W611-Y618 PolarHBondContact NE1-OH 3.48Å
612	S	98.8	Very high	98.7	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.014	7%	0.074	C	C	.	.	H	α-helix	trans	-65.4	-36.5	174.5	-63.2	0	0	0	0	112.3	C608 I609 A616	C608-S612 WeakPolarHBondContact O-CB 3.4Å; C608-S612 PolarHBondContact O-N 2.67Å; C608-S612 PolarHBondContact O-OG 3.37Å; I609-S612 PolarHBondContact O-N 2.9Å; S612-A616 WeakPolarHBondContact O-CB 3.25Å; S612-A616 PolarHBondContact O-N 3.43Å
613	Q	98.6	Very high	98.7	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.009	5%	0.051	C	C	.	.	H	α-helix	trans	-58.9	-51.1	172	-84.7	170	0.7	0	0	112.1	I609 R610 W611 F617 S648 L744 I747	I609-Q613 WeakPolarHBondContact O-CB 3.21Å; I609-Q613 WeakPolarHBondContact O-CG 3.45Å; I609-Q613 PolarHBondContact O-N 3.06Å; R610-Q613 WeakPolarHBondContact O-CB 3.4Å; R610-Q613 PolarHBondContact O-N 3.17Å; W611-Q613 VanDerWaalsContact C-N 3.31Å; W611-Q613 PolarHBondContact O-N 2.96Å; Q613-F617 VanDerWaalsContact O-CD2 3.28Å; Q613-F617 WeakPolarHBondContact O-CD2 3.43Å; Q613-S648 VanDerWaalsContact CG-OG 3.24Å; Q613-S648 WeakPolarHBondContact CG-OG 3.38Å; Q613-L744 PolarHBondContact NE2-O 3.11Å; Q613-I747 HydrophobicContact CB-CB 4.01Å; Q613-I747 HydrophobicContact CB-CD1 4.18Å; Q613-I747 HydrophobicContact CB-CG2 4.34Å; Q613-I747 HydrophobicContact CG-CB 4.18Å; Q613-I747 HydrophobicContact CG-CG2 4.35Å; Q613-I747 WeakPolarHBondContact O-CD1 3.4Å
614	L	98.8	Very high	98.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-65.8	-47.3	176.4	172.9	58.4	0	0	0	111.5	L574 V578 R610 W611 A616 F617 Y618 F694 P704 L706	L574-L614 HydrophobicContact CD1-CB 4.31Å; L574-L614 HydrophobicContact CD1-CD2 3.55Å; L574-L614 HydrophobicContact CD1-CG 4.5Å; L574-L614 HydrophobicContact CG-CD2 4.37Å; V578-L614 HydrophobicContact CG2-CD1 4.19Å; V578-L614 HydrophobicContact CG2-CD2 3.78Å; R610-L614 PolarHBondContact O-N 3.1Å; W611-L614 PolarHBondContact O-N 3.33Å; L614-A616 PolarHBondContact O-N 2.7Å; L614-F617 WeakPolarHBondContact O-CA 3.22Å; L614-F617 WeakPolarHBondContact O-CB 3.5Å; L614-F617 PolarHBondContact O-N 2.97Å; L614-Y618 HydrophobicContact CD1-CE1 4.1Å; L614-Y618 HydrophobicContact CD2-CE1 3.99Å; L614-Y618 WeakPolarHBondContact CD2-OH 3.31Å; L614-Y618 HydrophobicContact CG-CE1 3.65Å; L614-F694 HydrophobicContact CD1-CE1 3.67Å; L614-F694 HydrophobicContact CD1-CZ 4.36Å; L614-P704 HydrophobicContact CB-CB 4.3Å; L614-P704 HydrophobicContact CD1-CB 4.06Å; L614-P704 HydrophobicContact CD1-CG 4.01Å; L614-L706 HydrophobicContact CD2-CD2 4.08Å
615	G	98.7	Very high	98.7	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-66.7	-21.6	-174.4	0	0	0	0	0	114	W611 F617 Y618 S621	W611-G615 WeakPolarHBondContact O-CA 3.07Å; W611-G615 PolarHBondContact O-N 3.34Å; G615-F617 PolarHBondContact O-N 2.85Å; G615-Y618 VanDerWaalsContact CA-CD2 3.49Å; G615-Y618 PolarHBondContact O-N 3.1Å; G615-S621 WeakPolarHBondContact O-CB 3.25Å; G615-S621 PolarHBondContact O-OG 3.15Å
616	A	98.7	Very high	98.6	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-20.8	167	0	0	0	0	0	112.7	S612 L614 S648 L649 R652	S612-A616 WeakPolarHBondContact O-CB 3.25Å; S612-A616 PolarHBondContact O-N 3.43Å; L614-A616 PolarHBondContact O-N 2.7Å; A616-S648 WeakPolarHBondContact CB-O 3.38Å; A616-L649 HydrophobicContact CB-CD2 4.49Å; A616-R652 HydrophobicContact CB-CB 4.2Å; A616-R652 WeakPolarHBondContact O-CB 3.36Å; A616-R652 VanDerWaalsContact O-CD 3.3Å; A616-R652 WeakPolarHBondContact O-CD 3.46Å; A616-R652 VanDerWaalsContact O-CG 3.25Å; A616-R652 WeakPolarHBondContact O-CG 3.3Å; A616-R652 PolarHBondContact O-NH1 2.82Å
617	F	98.7	Very high	98.5	Very high	1 Å²	1	6.6 Å²	6.6	0%	0.004	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-1.5	178.5	-62.7	-90.2	0	0	0	114.2	Q613 L614 G615 L651 L655 F694 L696 V702 I747 I749	Q613-F617 VanDerWaalsContact O-CD2 3.28Å; Q613-F617 WeakPolarHBondContact O-CD2 3.43Å; L614-F617 WeakPolarHBondContact O-CA 3.22Å; L614-F617 WeakPolarHBondContact O-CB 3.5Å; L614-F617 PolarHBondContact O-N 2.97Å; G615-F617 PolarHBondContact O-N 2.85Å; F617-L651 HydrophobicContact CZ-CD2 3.73Å; F617-L651 HydrophobicContact CZ-CG 4.26Å; F617-L655 HydrophobicContact CE1-CD1 3.92Å; F617-F694 HydrophobicContact CB-CE2 4.27Å; F617-F694 HydrophobicContact CB-CZ 3.66Å; F617-L696 HydrophobicContact CD1-CD2 4.34Å; F617-V702 HydrophobicContact CB-CG1 4.37Å; F617-V702 HydrophobicContact CB-CG2 4.21Å; F617-V702 HydrophobicContact CD1-CG2 3.82Å; F617-V702 HydrophobicContact CD2-CG1 4.17Å; F617-V702 HydrophobicContact CE1-CG2 4.41Å; F617-V702 HydrophobicContact CG-CG1 4.16Å; F617-V702 HydrophobicContact CG-CG2 4Å; F617-I747 HydrophobicContact CD2-CD1 4.08Å; F617-I747 HydrophobicContact CE2-CD1 4Å; F617-I747 HydrophobicContact CE2-CG2 3.94Å; F617-I749 HydrophobicContact CD1-CD1 4.42Å; F617-I749 HydrophobicContact CD2-CD1 4.41Å; F617-I749 HydrophobicContact CE1-CD1 3.73Å; F617-I749 HydrophobicContact CE1-CG1 4.26Å; F617-I749 HydrophobicContact CE2-CD1 3.74Å; F617-I749 HydrophobicContact CE2-CG1 4.34Å; F617-I749 HydrophobicContact CZ-CD1 3.35Å; F617-I749 HydrophobicContact CZ-CG1 3.69Å
618	Y	98.9	Very high	98.3	Very high	1 Å²	1	14.5 Å²	14.5	0%	0.004	7%	0.07	C	C	.	.	S	Bend	trans	-64.5	139.1	167.6	-64.3	-24.1	0	0	0	110	S577 I581 A594 I596 W611 L614 G615 F620 R652	S577-Y618 VanDerWaalsContact CB-OH 3.23Å; S577-Y618 WeakPolarHBondContact CB-OH 3.41Å; S577-Y618 PolarHBondContact OG-OH 3.01Å; I581-Y618 HydrophobicContact CD1-CD1 3.94Å; I581-Y618 HydrophobicContact CD1-CE1 3.83Å; I581-Y618 HydrophobicContact CD1-CG 4.39Å; I581-Y618 HydrophobicContact CG1-CD1 3.8Å; I581-Y618 HydrophobicContact CG1-CE1 4.16Å; I581-Y618 HydrophobicContact CG1-CG 4.28Å; A594-Y618 HydrophobicContact CB-CE2 3.95Å; I596-Y618 HydrophobicContact CG1-CD2 4.35Å; I596-Y618 HydrophobicContact CG1-CE2 4.2Å; W611-Y618 PolarHBondContact NE1-OH 3.48Å; L614-Y618 HydrophobicContact CD1-CE1 4.1Å; L614-Y618 HydrophobicContact CD2-CE1 3.99Å; L614-Y618 WeakPolarHBondContact CD2-OH 3.31Å; L614-Y618 HydrophobicContact CG-CE1 3.65Å; G615-Y618 VanDerWaalsContact CA-CD2 3.49Å; G615-Y618 PolarHBondContact O-N 3.1Å; Y618-F620 VanDerWaalsContact C-N 3.27Å; Y618-F620 WeakPolarHBondContact CB-O 3.2Å; Y618-F620 PolarHBondContact O-N 2.78Å; Y618-R652 PolarHBondContact O-NH1 2.63Å; Y618-R652 PolarHBondContact O-NH2 2.84Å
619	P	98.8	Very high	98.2	Very high	1 Å²	1	15 Å²	15	1%	0.006	7%	0.074	C	C	.	.	S	Bend	trans	-52.9	-44.2	174	-28.6	35.2	0	0	0	113.2	P590 V592 R652 F663 V673 A674	P590-P619 WeakPolarHBondContact O-CB 3.44Å; P590-P619 VanDerWaalsContact O-CG 3.22Å; P590-P619 WeakPolarHBondContact O-CG 3.21Å; V592-P619 VanDerWaalsContact O-CD 3.3Å; V592-P619 WeakPolarHBondContact O-CD 3.03Å; P619-R652 PolarHBondContact O-NH2 3.14Å; P619-F663 HydrophobicContact CB-CE2 4.32Å; P619-F663 HydrophobicContact CB-CZ 3.92Å; P619-V673 HydrophobicContact CB-CG1 4.29Å; P619-V673 HydrophobicContact CG-CB 4.36Å; P619-V673 HydrophobicContact CG-CG1 3.99Å; P619-A674 HydrophobicContact CG-CB 4.15Å
620	F	98.9	Very high	98.1	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	9%	0.088	C	C	.	.	S	Bend	trans	-103.9	127.3	167.4	173.6	-120.7	0	0	0	110.4	H318 W348 F546 L548 W563 M591 V592 G593 Y618 R622	H318-F620 AromaticContact ND1-CE2 3.98Å; W348-F620 HydrophobicContact CH2-CE2 4.11Å; W348-F620 AromaticContact CH2-CZ 3.61Å; W348-F620 HydrophobicContact CH2-CZ 3.61Å; W348-F620 AromaticContact CZ2-CE2 3.85Å; W348-F620 HydrophobicContact CZ2-CE2 3.85Å; W348-F620 AromaticContact CZ2-CZ 3.71Å; W348-F620 HydrophobicContact CZ2-CZ 3.71Å; F546-F620 HydrophobicContact CZ-CD2 4.35Å; F546-F620 AromaticContact CZ-CE2 3.87Å; F546-F620 HydrophobicContact CZ-CE2 3.87Å; L548-F620 HydrophobicContact CD1-CD1 3.87Å; L548-F620 HydrophobicContact CD1-CE1 3.53Å; L548-F620 HydrophobicContact CD1-CZ 3.92Å; L548-F620 HydrophobicContact CD2-CE1 3.77Å; L548-F620 HydrophobicContact CD2-CZ 3.89Å; L548-F620 HydrophobicContact CG-CE1 4.32Å; L548-F620 HydrophobicContact CG-CZ 4.5Å; W563-F620 HydrophobicContact CB-CD1 4.43Å; W563-F620 HydrophobicContact CB-CE1 4.24Å; M591-F620 HydrophobicContact CE-CB 3.91Å; M591-F620 HydrophobicContact CE-CD2 3.87Å; M591-F620 HydrophobicContact CE-CG 4.34Å; M591-F620 HydrophobicContact CG-CB 4.38Å; M591-F620 HydrophobicContact SD-CB 4.32Å; V592-F620 PolarHBondContact O-N 3.17Å; G593-F620 WeakPolarHBondContact CA-O 3.49Å; Y618-F620 VanDerWaalsContact C-N 3.27Å; Y618-F620 WeakPolarHBondContact CB-O 3.2Å; Y618-F620 PolarHBondContact O-N 2.78Å; F620-R622 HydrophobicContact CE1-CB 3.84Å; F620-R622 HydrophobicContact CE2-CB 4.32Å; F620-R622 HydrophobicContact CZ-CB 3.66Å; F620-R622 HydrophobicContact CZ-CG 4.33Å
621	S	98.9	Very high	98.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	99.3	-170.8	-166.7	0	0	0	0	111.2	H318 I596 G615 R652	H318-S621 PolarHBondContact CD2-O 2.86Å; H318-S621 PolarHBondContact N-O 2.92Å; I596-S621 WeakPolarHBondContact CD1-OG 3.2Å; G615-S621 WeakPolarHBondContact O-CB 3.25Å; G615-S621 PolarHBondContact O-OG 3.15Å; S621-R652 VanDerWaalsContact CB-CZ 3.46Å
622	R	98.9	Very high	98.1	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	131.4	-178.8	-176.2	-179.5	73.8	163.8	6.4	110.8	H318 C320 D595 I596 F620 H624	H318-R622 HydrophobicContact CB-CB 3.9Å; H318-R622 HydrophobicContact CB-CG 3.89Å; H318-R622 WeakPolarHBondContact O-CA 3.45Å; C320-R622 HydrophobicContact CB-CG 4.33Å; D595-R622 IonicContact OD1-CZ 2.77Å; D595-R622 VanDerWaalsContact OD1-CZ 3.31Å; D595-R622 IonicContact OD1-NE 2.68Å; D595-R622 PolarHBondContact OD1-NE 3.39Å; D595-R622 IonicContact OD1-NH2 2.92Å; D595-R622 PolarHBondContact OD1-NH2 2.77Å; D595-R622 IonicContact OD2-NH2 3.82Å; D595-R622 PolarHBondContact OD2-NH2 2.79Å; I596-R622 WeakPolarHBondContact CB-O 3.42Å; I596-R622 VanDerWaalsContact CG1-O 3.3Å; I596-R622 WeakPolarHBondContact CG1-O 3.43Å; I596-R622 PolarHBondContact N-O 3.3Å; F620-R622 HydrophobicContact CE1-CB 3.84Å; F620-R622 HydrophobicContact CE2-CB 4.32Å; F620-R622 HydrophobicContact CZ-CB 3.66Å; F620-R622 HydrophobicContact CZ-CG 4.33Å; R622-H624 HydrophobicContact CG-CB 4.2Å; R622-H624 PolarHBondContact NH2-CD2 2.93Å; R622-H624 VanDerWaalsContact NH2-CD2 3.26Å
623	N	98.9	Very high	98.1	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.3	159.9	177.2	-68.6	0	0	0	107.7	F317 H318 C320 I596 Q632	F317-N623 HydrophobicContact CE2-CB 4.07Å; F317-N623 HydrophobicContact CZ-CB 3.62Å; H318-N623 PolarHBondContact O-N 3.47Å; C320-N623 PolarHBondContact N-O 3.34Å; I596-N623 HydrophobicContact CB-CB 4.28Å; I596-N623 PolarHBondContact O-ND2 2.98Å; N623-Q632 PolarHBondContact ND2-O 3.18Å; N623-Q632 VanDerWaalsContact ND2-O 3.08Å
624	H	98.8	Very high	98.1	Very high	3 Å²	3	19.5 Å²	19.5	1%	0.014	10%	0.097	C	C	.	.			trans	-142.4	151.2	-179.6	-178.7	44.6	0	0	0	108.9	C320 R321 Y322 D350 W464 D595 F599 R622 Q632	C320-H624 HydrophobicContact CB-CB 3.98Å; C320-H624 WeakPolarHBondContact CB-ND1 3.07Å; C320-H624 WeakPolarHBondContact O-CA 3.32Å; C320-H624 PolarHBondContact SG-ND1 3.03Å; R321-H624 WeakPolarHBondContact CA-ND1 3.36Å; R321-H624 PolarHBondContact N-ND1 3.45Å; Y322-H624 PolarHBondContact N-CE1 3.23Å; D350-H624 IonicContact OD2-CE1 3.81Å; D350-H624 PolarHBondContact OD2-CE1 3.08Å; D350-H624 IonicContact OD2-NE2 3.36Å; W464-H624 AromaticContact CH2-CE1 3.75Å; W464-H624 AromaticContact CH2-NE2 3.37Å; W464-H624 WeakPolarHBondContact CH2-NE2 3.33Å; D595-H624 HydrophobicContact CB-CB 4.15Å; D595-H624 WeakPolarHBondContact OD1-CB 3.41Å; D595-H624 IonicContact OD2-CD2 2.71Å; D595-H624 PolarHBondContact OD2-CD2 3.43Å; F599-H624 AromaticContact CD2-CD2 3.54Å; F599-H624 AromaticContact CD2-NE2 3.66Å; F599-H624 AromaticContact CE2-CD2 3.77Å; F599-H624 AromaticContact CE2-NE2 3.35Å; F599-H624 WeakPolarHBondContact CE2-NE2 3.48Å; R622-H624 HydrophobicContact CG-CB 4.2Å; R622-H624 PolarHBondContact NH2-CD2 2.93Å; R622-H624 VanDerWaalsContact NH2-CD2 3.26Å; H624-Q632 PolarHBondContact O-NE2 2.89Å
625	N	98.1	Very high	98.1	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.011	11%	0.106	C	C	.	.			trans	-148.1	154.9	-169.1	-159.2	10.7	0	0	0	110.7	R321 Y322 F599 A629 M630 Q632	R321-N625 HydrophobicContact CB-CB 4.4Å; R321-N625 HydrophobicContact CG-CB 4.42Å; R321-N625 PolarHBondContact NH2-ND2 3.23Å; Y322-N625 PolarHBondContact N-O 3Å; F599-N625 PolarHBondContact O-OD1 2.81Å; N625-A629 WeakPolarHBondContact OD1-CB 3.08Å; N625-M630 PolarHBondContact ND2-O 3.25Å; N625-Q632 HydrophobicContact CB-CG 3.95Å; N625-Q632 VanDerWaalsContact CB-NE2 3.32Å; N625-Q632 VanDerWaalsContact CG-CD 3.4Å; N625-Q632 VanDerWaalsContact CG-NE2 3.29Å; N625-Q632 WeakPolarHBondContact ND2-CG 3.48Å; N625-Q632 PolarHBondContact OD1-NE2 3.17Å
626	E	96.4	Very high	98	Very high	43 Å²	43	25.5 Å²	25.5	20%	0.201	13%	0.125	C	C	.	.			trans	-79.6	169.1	172.7	74.3	179.7	177.2	0	0	113	Y322 F599 G601 A629	Y322-E626 CarbonylContact O-C 3.47Å; Y322-E626 VanDerWaalsContact O-C 3.29Å; F599-E626 HydrophobicContact CD1-CB 4.45Å; F599-E626 HydrophobicContact CD2-CB 4.37Å; F599-E626 HydrophobicContact CE1-CB 4.06Å; F599-E626 HydrophobicContact CE2-CB 3.96Å; F599-E626 HydrophobicContact CZ-CB 3.81Å; F599-E626 WeakPolarHBondContact O-CB 3.41Å; F599-E626 VanDerWaalsContact O-CG 3.31Å; F599-E626 WeakPolarHBondContact O-CG 3.45Å; F599-E626 PolarHBondContact O-N 2.93Å; G601-E626 WeakPolarHBondContact CA-OE1 3.41Å; G601-E626 VanDerWaalsContact N-CD 3.33Å; G601-E626 PolarHBondContact N-OE1 3.33Å; E626-A629 HydrophobicContact CG-CB 3.55Å
627	D	96.5	Very high	98	Very high	68 Å²	68	27 Å²	27	36%	0.364	13%	0.131	S	C	.	.	S	Bend	trans	-66.6	-47.7	-176.9	-178.1	16.2	0	0	0	113	Y322 G323 A629	Y322-D627 HydrophobicContact CD1-CB 3.66Å; Y322-D627 HydrophobicContact CD2-CB 4.48Å; Y322-D627 HydrophobicContact CE1-CB 3.57Å; Y322-D627 HydrophobicContact CE2-CB 4.39Å; Y322-D627 HydrophobicContact CG-CB 4.1Å; Y322-D627 WeakPolarHBondContact O-CA 3.49Å; Y322-D627 PolarHBondContact O-N 3.29Å; G323-D627 WeakPolarHBondContact CA-OD1 3.14Å; D627-A629 VanDerWaalsContact C-N 3.28Å; D627-A629 PolarHBondContact O-N 3.22Å
628	E	94.3	Very high	98	Very high	169 Å²	169	28.7 Å²	28.7	79%	0.79	14%	0.143	S	C	*	.	S	Bend	trans	-79.4	-7.9	-174.2	-62.4	-69.4	167.9	0	0	113.7
629	A	96.7	Very high	97.9	Very high	9 Å²	9	36.7 Å²	36.7	7%	0.074	18%	0.178	C	C	.	.	S	Bend	trans	-85.5	155.2	-178.3	0	0	0	0	0	112.8	R321 N602 N625 E626 D627	R321-A629 PolarHBondContact NH2-O 3.4Å; N602-A629 WeakPolarHBondContact OD1-CA 3.32Å; N625-A629 WeakPolarHBondContact OD1-CB 3.08Å; E626-A629 HydrophobicContact CG-CB 3.55Å; D627-A629 VanDerWaalsContact C-N 3.28Å; D627-A629 PolarHBondContact O-N 3.22Å
630	M	97.2	Very high	97.9	Very high	63 Å²	63	43.4 Å²	43.4	31%	0.31	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-64.4	150.5	171.8	67.6	-175.7	-79	0	0	111.9	R321 N602 N625 Y636 W637	R321-M630 PolarHBondContact NH2-O 2.89Å; N602-M630 HydrophobicContact CB-CG 4.2Å; N602-M630 HydrophobicContact CB-SD 4.15Å; N602-M630 WeakPolarHBondContact OD1-CG 3.33Å; N602-M630 PolarHBondContact OD1-N 2.99Å; N625-M630 PolarHBondContact ND2-O 3.25Å; M630-Y636 HydrophobicContact CE-CD1 4.49Å; M630-Y636 HydrophobicContact CE-CE1 3.56Å; M630-W637 HydrophobicContact CE-CH2 3.73Å; M630-W637 HydrophobicContact CE-CZ3 3.85Å
631	D	97.9	Very high	97.9	Very high	32 Å²	32	43.3 Å²	43.3	17%	0.171	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-49.6	142.2	173.2	-69.7	29.1	0	0	0	111.3	R321 R336 Y636	R321-D631 IonicContact CZ-OD1 2.71Å; R321-D631 IonicContact NH1-OD1 3.79Å; R321-D631 PolarHBondContact NH1-OD1 2.97Å; R321-D631 IonicContact NH1-OD2 3.51Å; R321-D631 IonicContact NH2-OD1 3.43Å; R336-D631 IonicContact CZ-OD2 2.79Å; R336-D631 IonicContact NH1-OD2 3.03Å; R336-D631 PolarHBondContact NH1-OD2 2.86Å; R336-D631 IonicContact NH2-OD2 3.57Å; R336-D631 PolarHBondContact NH2-OD2 2.71Å; D631-Y636 HydrophobicContact CB-CD1 3.84Å; D631-Y636 HydrophobicContact CB-CD2 3.31Å; D631-Y636 HydrophobicContact CB-CE1 4.04Å; D631-Y636 HydrophobicContact CB-CE2 3.54Å; D631-Y636 HydrophobicContact CB-CG 3.45Å; D631-Y636 VanDerWaalsContact CB-CG 3.45Å; D631-Y636 WeakPolarHBondContact O-CD1 3.37Å; D631-Y636 WeakPolarHBondContact O-CE1 3.47Å
632	Q	98.6	Very high	97.9	Very high	2 Å²	2	44 Å²	44	1%	0.009	21%	0.213	C	C	.	.			trans	-145.5	8.9	-177.3	71.3	179.6	5.6	0	0	114.3	C597 G598 T603 N623 H624 N625 W637	C597-Q632 HydrophobicContact CB-CG 4.43Å; G598-Q632 PolarHBondContact O-NE2 3.09Å; T603-Q632 HydrophobicContact CG2-CB 3.86Å; T603-Q632 VanDerWaalsContact CG2-OE1 3.25Å; N623-Q632 PolarHBondContact ND2-O 3.18Å; N623-Q632 VanDerWaalsContact ND2-O 3.08Å; H624-Q632 PolarHBondContact O-NE2 2.89Å; N625-Q632 HydrophobicContact CB-CG 3.95Å; N625-Q632 VanDerWaalsContact CB-NE2 3.32Å; N625-Q632 VanDerWaalsContact CG-CD 3.4Å; N625-Q632 VanDerWaalsContact CG-NE2 3.29Å; N625-Q632 WeakPolarHBondContact ND2-CG 3.48Å; N625-Q632 PolarHBondContact OD1-NE2 3.17Å; Q632-W637 HydrophobicContact CB-CZ2 3.95Å; Q632-W637 PolarHBondContact O-NE1 2.99Å
633	D	98.6	Very high	97.8	Very high	9 Å²	9	47.7 Å²	47.7	5%	0.048	23%	0.23	C	C	.	.	S	Bend	trans	-62.9	153.8	170.3	59	-72.6	0	0	0	110.8	V333 R336 N337 A635 Y636	V333-D633 HydrophobicContact CG1-CB 4.26Å; R336-D633 IonicContact CZ-OD1 2.76Å; R336-D633 IonicContact CZ-OD2 2.66Å; R336-D633 IonicContact NE-OD1 3.47Å; R336-D633 IonicContact NE-OD2 2.81Å; R336-D633 PolarHBondContact NE-OD2 3.25Å; R336-D633 VanDerWaalsContact NH2-CG 3.27Å; R336-D633 IonicContact NH2-OD1 2.76Å; R336-D633 PolarHBondContact NH2-OD1 3Å; R336-D633 IonicContact NH2-OD2 3.19Å; R336-D633 PolarHBondContact NH2-OD2 2.83Å; N337-D633 PolarHBondContact ND2-OD2 3.34Å; D633-A635 VanDerWaalsContact C-N 3.27Å; D633-A635 PolarHBondContact O-N 2.96Å; D633-Y636 WeakPolarHBondContact O-CB 3.39Å; D633-Y636 PolarHBondContact O-N 3.42Å
634	P	98.7	Very high	97.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-34	-166.6	-32.4	37.9	0	0	0	116.7	F317 N337 I342 T642 I645	F317-P634 HydrophobicContact CE1-CG 3.89Å; F317-P634 HydrophobicContact CZ-CG 4.01Å; N337-P634 VanDerWaalsContact OD1-CD 3.32Å; N337-P634 WeakPolarHBondContact OD1-CD 3.11Å; I342-P634 HydrophobicContact CD1-CB 3.69Å; I342-P634 HydrophobicContact CG1-CB 3.92Å; I342-P634 HydrophobicContact CG2-CB 4.21Å; I342-P634 HydrophobicContact CG2-CG 4.09Å; P634-T642 PolarHBondContact O-OG1 3.45Å; P634-I645 HydrophobicContact CB-CB 4.38Å; P634-I645 HydrophobicContact CB-CD1 4.44Å; P634-I645 HydrophobicContact CB-CG2 3.66Å; P634-I645 HydrophobicContact CG-CG2 3.82Å
635	A	98.5	Very high	97.8	Very high	22 Å²	22	47.7 Å²	47.7	18%	0.182	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	4.1	-178.1	0	0	0	0	0	114.7	R336 N337 A340 D633 T642	R336-A635 HydrophobicContact CB-CB 4.32Å; R336-A635 HydrophobicContact CG-CB 4.11Å; R336-A635 WeakPolarHBondContact O-CB 3.31Å; N337-A635 HydrophobicContact CB-CB 4.32Å; N337-A635 WeakPolarHBondContact OD1-CB 3.28Å; N337-A635 PolarHBondContact OD1-N 3.36Å; A340-A635 HydrophobicContact CB-CB 3.82Å; D633-A635 VanDerWaalsContact C-N 3.27Å; D633-A635 PolarHBondContact O-N 2.96Å; A635-T642 HydrophobicContact CB-CG2 4.47Å
636	Y	98.2	Very high	97.8	Very high	104 Å²	104	48.9 Å²	48.9	41%	0.408	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-28.2	171.6	178.7	-101.6	0	0	0	112.9	M630 D631 D633	M630-Y636 HydrophobicContact CE-CD1 4.49Å; M630-Y636 HydrophobicContact CE-CE1 3.56Å; D631-Y636 HydrophobicContact CB-CD1 3.84Å; D631-Y636 HydrophobicContact CB-CD2 3.31Å; D631-Y636 HydrophobicContact CB-CE1 4.04Å; D631-Y636 HydrophobicContact CB-CE2 3.54Å; D631-Y636 HydrophobicContact CB-CG 3.45Å; D631-Y636 VanDerWaalsContact CB-CG 3.45Å; D631-Y636 WeakPolarHBondContact O-CD1 3.37Å; D631-Y636 WeakPolarHBondContact O-CE1 3.47Å; D633-Y636 WeakPolarHBondContact O-CB 3.39Å; D633-Y636 PolarHBondContact O-N 3.42Å
637	W	98.1	Very high	97.8	Very high	32 Å²	32	51 Å²	51	12%	0.121	25%	0.246	C	C	.	.	S	Bend	trans	-77.7	-178.2	-174.3	-59.3	106.1	0	0	0	114.3	T603 E605 C608 M630 Q632 A641	T603-W637 HydrophobicContact CG2-CH2 3.64Å; T603-W637 HydrophobicContact CG2-CZ2 3.38Å; E605-W637 HydrophobicContact CB-CD2 4.33Å; E605-W637 HydrophobicContact CB-CE3 3.56Å; E605-W637 HydrophobicContact CB-CZ3 3.79Å; E605-W637 HydrophobicContact CG-CB 4.38Å; E605-W637 HydrophobicContact CG-CD2 4.25Å; E605-W637 HydrophobicContact CG-CE3 3.82Å; C608-W637 HydrophobicContact CB-CZ2 3.88Å; C608-W637 PolarHBondContact SG-NE1 2.88Å; M630-W637 HydrophobicContact CE-CH2 3.73Å; M630-W637 HydrophobicContact CE-CZ3 3.85Å; Q632-W637 HydrophobicContact CB-CZ2 3.95Å; Q632-W637 PolarHBondContact O-NE1 2.99Å; W637-A641 HydrophobicContact CB-CB 3.56Å; W637-A641 HydrophobicContact CG-CB 4.37Å
638	S	98.3	Very high	97.9	Very high	36 Å²	36	48.1 Å²	48.1	25%	0.252	23%	0.231	S	C	.	.			trans	-54.3	156	168.9	74.8	0	0	0	0	111.9	E605 E640 A641 T642	E605-S638 WeakPolarHBondContact OE1-CB 3.24Å; E605-S638 PolarHBondContact OE1-OG 2.96Å; E605-S638 VanDerWaalsContact OE2-CB 3.31Å; E605-S638 WeakPolarHBondContact OE2-CB 3.46Å; E605-S638 PolarHBondContact OE2-N 2.91Å; E605-S638 VanDerWaalsContact OE2-N 3.09Å; E605-S638 PolarHBondContact OE2-OG 3.07Å; S638-E640 PolarHBondContact O-N 3.4Å; S638-A641 WeakPolarHBondContact O-CB 3.36Å; S638-A641 PolarHBondContact O-N 2.77Å; S638-A641 VanDerWaalsContact O-N 3.12Å; S638-A641 WeakPolarHBondContact OG-CB 3.33Å; S638-A641 PolarHBondContact OG-N 3Å; S638-A641 VanDerWaalsContact OG-N 3.15Å; S638-T642 PolarHBondContact O-N 2.73Å; S638-T642 PolarHBondContact O-OG1 3.25Å; S638-T642 VanDerWaalsContact O-OG1 3.13Å
639	K	97.9	Very high	98.1	Very high	169 Å²	169	40 Å²	40	74%	0.735	19%	0.193	S	C	*	.	H	α-helix	trans	-59.6	-37	179.7	-174.3	-179.9	177.5	-175.7	0	111.5	E643	K639-E643 WeakPolarHBondContact O-CB 3.45Å; K639-E643 PolarHBondContact O-N 2.79Å
640	E	97.7	Very high	98.1	Very high	141 Å²	141	42.5 Å²	42.5	66%	0.659	20%	0.202	S	C	*	.	H	α-helix	trans	-64.6	-44.6	176.9	-66.1	70.2	-155.3	0	0	111.3	S638 E643 A644	S638-E640 PolarHBondContact O-N 3.4Å; E640-E643 PolarHBondContact O-N 3.09Å; E640-A644 PolarHBondContact O-N 2.86Å
641	A	98.2	Very high	98.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-48.3	175.1	0	0	0	0	0	111.7	E605 I609 W637 S638 E643 A644 I645	E605-A641 HydrophobicContact CG-CB 3.63Å; I609-A641 HydrophobicContact CD1-CB 3.58Å; I609-A641 HydrophobicContact CG1-CB 3.79Å; W637-A641 HydrophobicContact CB-CB 3.56Å; W637-A641 HydrophobicContact CG-CB 4.37Å; S638-A641 WeakPolarHBondContact O-CB 3.36Å; S638-A641 PolarHBondContact O-N 2.77Å; S638-A641 VanDerWaalsContact O-N 3.12Å; S638-A641 WeakPolarHBondContact OG-CB 3.33Å; S638-A641 PolarHBondContact OG-N 3Å; S638-A641 VanDerWaalsContact OG-N 3.15Å; A641-E643 VanDerWaalsContact C-N 3.27Å; A641-E643 PolarHBondContact O-N 3.46Å; A641-A644 PolarHBondContact O-N 3Å; A641-A644 VanDerWaalsContact O-N 3.15Å; A641-I645 VanDerWaalsContact O-CG1 3.3Å; A641-I645 WeakPolarHBondContact O-CG1 3.38Å; A641-I645 PolarHBondContact O-N 3.22Å
642	T	98.7	Very high	98.1	Very high	14 Å²	14	39.8 Å²	39.8	9%	0.086	19%	0.189	C	C	.	.	H	α-helix	trans	-57.2	-41	176.5	-58.8	0	0	0	0	111.5	A340 I342 P634 A635 S638 K646	A340-T642 HydrophobicContact CB-CG2 3.9Å; I342-T642 HydrophobicContact CD1-CG2 4.08Å; P634-T642 PolarHBondContact O-OG1 3.45Å; A635-T642 HydrophobicContact CB-CG2 4.47Å; S638-T642 PolarHBondContact O-N 2.73Å; S638-T642 PolarHBondContact O-OG1 3.25Å; S638-T642 VanDerWaalsContact O-OG1 3.13Å; T642-K646 WeakPolarHBondContact O-CB 3.15Å; T642-K646 PolarHBondContact O-N 3.46Å
643	E	98.3	Very high	98.1	Very high	79 Å²	79	39.7 Å²	39.7	37%	0.369	19%	0.188	S	C	.	.	H	α-helix	trans	-65.6	-44.3	176.4	-164.2	66.2	-141.9	0	0	111.9	K639 E640 A641 I645 K646 E647	K639-E643 WeakPolarHBondContact O-CB 3.45Å; K639-E643 PolarHBondContact O-N 2.79Å; E640-E643 PolarHBondContact O-N 3.09Å; A641-E643 VanDerWaalsContact C-N 3.27Å; A641-E643 PolarHBondContact O-N 3.46Å; E643-I645 PolarHBondContact O-N 3.18Å; E643-K646 VanDerWaalsContact CD-NZ 3.26Å; E643-K646 PolarHBondContact O-N 3.46Å; E643-K646 WeakPolarHBondContact OE1-CE 3.48Å; E643-K646 IonicContact OE1-NZ 3.14Å; E643-K646 PolarHBondContact OE1-NZ 3.44Å; E643-K646 VanDerWaalsContact OE2-CE 3.22Å; E643-K646 WeakPolarHBondContact OE2-CE 3.5Å; E643-K646 IonicContact OE2-NZ 3.77Å; E643-K646 PolarHBondContact OE2-NZ 3.14Å; E643-E647 WeakPolarHBondContact O-CG 3.22Å; E643-E647 PolarHBondContact O-N 3.01Å
644	A	97.8	Very high	98	Very high	6 Å²	6	42 Å²	42	5%	0.05	20%	0.199	C	C	.	.	H	α-helix	trans	-61.7	-42.5	177.6	0	0	0	0	0	112.7	I609 E640 A641 S648 N745	I609-A644 HydrophobicContact CG2-CB 3.9Å; E640-A644 PolarHBondContact O-N 2.86Å; A641-A644 PolarHBondContact O-N 3Å; A641-A644 VanDerWaalsContact O-N 3.15Å; A644-S648 PolarHBondContact O-N 3.2Å; A644-S648 PolarHBondContact O-OG 3.22Å; A644-N745 HydrophobicContact CB-CB 4.03Å
645	I	98.5	Very high	98	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.4	-47.7	175.8	-64.6	167.9	0	0	0	109.9	I609 P634 A641 E643 E647 S648 L649	I609-I645 HydrophobicContact CG1-CD1 4.45Å; I609-I645 HydrophobicContact CG1-CG1 4.32Å; P634-I645 HydrophobicContact CB-CB 4.38Å; P634-I645 HydrophobicContact CB-CD1 4.44Å; P634-I645 HydrophobicContact CB-CG2 3.66Å; P634-I645 HydrophobicContact CG-CG2 3.82Å; A641-I645 VanDerWaalsContact O-CG1 3.3Å; A641-I645 WeakPolarHBondContact O-CG1 3.38Å; A641-I645 PolarHBondContact O-N 3.22Å; E643-I645 PolarHBondContact O-N 3.18Å; I645-E647 PolarHBondContact O-N 3.05Å; I645-S648 WeakPolarHBondContact O-CB 3.24Å; I645-S648 PolarHBondContact O-N 3.27Å; I645-S648 VanDerWaalsContact O-N 3.16Å; I645-L649 HydrophobicContact CG2-CD1 4Å; I645-L649 HydrophobicContact CG2-CG 4.4Å; I645-L649 WeakPolarHBondContact O-CG 3.4Å; I645-L649 PolarHBondContact O-N 2.82Å
646	K	98.3	Very high	98	Very high	28 Å²	28	41.2 Å²	41.2	12%	0.122	19%	0.191	C	C	.	.	H	α-helix	trans	-56.4	-46.1	178.9	-177	173.3	61.5	-166.9	0	112.5	A340 G341 I342 T642 E643 S648 L649 K650	A340-K646 WeakPolarHBondContact O-CD 3.43Å; A340-K646 PolarHBondContact O-NZ 3.33Å; G341-K646 WeakPolarHBondContact O-CD 3.46Å; I342-K646 HydrophobicContact CD1-CB 3.72Å; I342-K646 HydrophobicContact CD1-CG 4.18Å; T642-K646 WeakPolarHBondContact O-CB 3.15Å; T642-K646 PolarHBondContact O-N 3.46Å; E643-K646 VanDerWaalsContact CD-NZ 3.26Å; E643-K646 PolarHBondContact O-N 3.46Å; E643-K646 WeakPolarHBondContact OE1-CE 3.48Å; E643-K646 IonicContact OE1-NZ 3.14Å; E643-K646 PolarHBondContact OE1-NZ 3.44Å; E643-K646 VanDerWaalsContact OE2-CE 3.22Å; E643-K646 WeakPolarHBondContact OE2-CE 3.5Å; E643-K646 IonicContact OE2-NZ 3.77Å; E643-K646 PolarHBondContact OE2-NZ 3.14Å; K646-S648 VanDerWaalsContact C-N 3.31Å; K646-S648 PolarHBondContact O-N 2.88Å; K646-L649 PolarHBondContact O-N 3.19Å; K646-K650 HydrophobicContact CG-CD 4.36Å; K646-K650 HydrophobicContact CG-CG 4.44Å; K646-K650 WeakPolarHBondContact O-CG 3.43Å; K646-K650 PolarHBondContact O-N 3.13Å
647	E	97	Very high	98	Very high	88 Å²	88	36.2 Å²	36.2	41%	0.411	17%	0.172	S	C	.	.	H	α-helix	trans	-65.5	-35.7	-179.8	-69.6	-55.6	118.2	0	0	112	E643 I645 K650 L651	E643-E647 WeakPolarHBondContact O-CG 3.22Å; E643-E647 PolarHBondContact O-N 3.01Å; I645-E647 PolarHBondContact O-N 3.05Å; E647-K650 PolarHBondContact O-N 2.83Å; E647-K650 WeakPolarHBondContact OE1-CD 3.2Å; E647-K650 IonicContact OE1-NZ 3.72Å; E647-K650 PolarHBondContact OE1-NZ 2.04Å; E647-L651 WeakPolarHBondContact O-CB 3.16Å; E647-L651 PolarHBondContact O-N 2.93Å
648	S	97.7	Very high	98	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-64.1	-44.6	173.9	-55	0	0	0	0	111.6	Q613 A616 A644 I645 K646 L651 R652	Q613-S648 VanDerWaalsContact CG-OG 3.24Å; Q613-S648 WeakPolarHBondContact CG-OG 3.38Å; A616-S648 WeakPolarHBondContact CB-O 3.38Å; A644-S648 PolarHBondContact O-N 3.2Å; A644-S648 PolarHBondContact O-OG 3.22Å; I645-S648 WeakPolarHBondContact O-CB 3.24Å; I645-S648 PolarHBondContact O-N 3.27Å; I645-S648 VanDerWaalsContact O-N 3.16Å; K646-S648 VanDerWaalsContact C-N 3.31Å; K646-S648 PolarHBondContact O-N 2.88Å; S648-L651 WeakPolarHBondContact O-CB 3.31Å; S648-L651 PolarHBondContact O-N 2.81Å; S648-R652 PolarHBondContact O-N 2.88Å
649	L	98.4	Very high	98.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-67.8	-38.9	176.2	-65.6	176.9	0	0	0	112	F317 I342 P343 A616 I645 K646 L651 R652 Y653	F317-L649 HydrophobicContact CB-CD2 4.06Å; F317-L649 HydrophobicContact CD1-CD1 3.76Å; F317-L649 HydrophobicContact CD1-CD2 4.46Å; F317-L649 HydrophobicContact CD2-CD1 4.22Å; F317-L649 HydrophobicContact CD2-CD2 3.52Å; F317-L649 HydrophobicContact CE1-CD1 3.92Å; F317-L649 HydrophobicContact CE2-CD1 4.36Å; F317-L649 HydrophobicContact CE2-CD2 4.02Å; F317-L649 HydrophobicContact CG-CD1 3.91Å; F317-L649 HydrophobicContact CG-CD2 3.76Å; F317-L649 HydrophobicContact CG-CG 4.47Å; F317-L649 HydrophobicContact CZ-CD1 4.21Å; I342-L649 HydrophobicContact CG2-CD1 3.73Å; P343-L649 HydrophobicContact CG-CB 4.42Å; A616-L649 HydrophobicContact CB-CD2 4.49Å; I645-L649 HydrophobicContact CG2-CD1 4Å; I645-L649 HydrophobicContact CG2-CG 4.4Å; I645-L649 WeakPolarHBondContact O-CG 3.4Å; I645-L649 PolarHBondContact O-N 2.82Å; K646-L649 PolarHBondContact O-N 3.19Å; L649-L651 VanDerWaalsContact C-N 3.3Å; L649-L651 PolarHBondContact O-N 2.95Å; L649-R652 VanDerWaalsContact O-CB 3.31Å; L649-R652 WeakPolarHBondContact O-CB 3.46Å; L649-R652 PolarHBondContact O-N 3.42Å; L649-Y653 WeakPolarHBondContact O-CD2 3.36Å; L649-Y653 PolarHBondContact O-N 2.87Å
650	K	97.8	Very high	98.1	Very high	61 Å²	61	25.9 Å²	25.9	27%	0.265	12%	0.123	S	C	.	.	H	α-helix	trans	-61	-41.2	173.4	-75.4	178.5	-177	164	0	111.8	P343 K646 E647 R652 Y653 H654 S762	P343-K650 HydrophobicContact CG-CG 4.23Å; K646-K650 HydrophobicContact CG-CD 4.36Å; K646-K650 HydrophobicContact CG-CG 4.44Å; K646-K650 WeakPolarHBondContact O-CG 3.43Å; K646-K650 PolarHBondContact O-N 3.13Å; E647-K650 PolarHBondContact O-N 2.83Å; E647-K650 WeakPolarHBondContact OE1-CD 3.2Å; E647-K650 IonicContact OE1-NZ 3.72Å; E647-K650 PolarHBondContact OE1-NZ 2.04Å; K650-R652 VanDerWaalsContact C-N 3.33Å; K650-R652 PolarHBondContact O-N 3.44Å; K650-Y653 PolarHBondContact O-N 2.88Å; K650-Y653 VanDerWaalsContact O-N 3.13Å; K650-H654 PolarHBondContact O-CD2 2.94Å; K650-H654 PolarHBondContact O-N 3.21Å; K650-S762 WeakPolarHBondContact CA-OG 3.27Å; K650-S762 WeakPolarHBondContact CG-OG 3.32Å
651	L	96.8	Very high	98.1	Very high	36 Å²	36	19.3 Å²	19.3	19%	0.188	9%	0.092	C	C	.	.	H	α-helix	trans	-60.2	-42.8	174.8	177.3	56.9	0	0	0	111.5	F617 E647 S648 L649 Y653 H654 L655 L725	F617-L651 HydrophobicContact CZ-CD2 3.73Å; F617-L651 HydrophobicContact CZ-CG 4.26Å; E647-L651 WeakPolarHBondContact O-CB 3.16Å; E647-L651 PolarHBondContact O-N 2.93Å; S648-L651 WeakPolarHBondContact O-CB 3.31Å; S648-L651 PolarHBondContact O-N 2.81Å; L649-L651 VanDerWaalsContact C-N 3.3Å; L649-L651 PolarHBondContact O-N 2.95Å; L651-Y653 VanDerWaalsContact C-N 3.33Å; L651-Y653 PolarHBondContact O-N 3.43Å; L651-H654 WeakPolarHBondContact O-CB 3.19Å; L651-H654 PolarHBondContact O-N 3.02Å; L651-L655 HydrophobicContact CD1-CD1 4.05Å; L651-L655 HydrophobicContact CD1-CG 4.26Å; L651-L655 HydrophobicContact CG-CD1 4.21Å; L651-L655 WeakPolarHBondContact O-CG 3.31Å; L651-L655 PolarHBondContact O-N 2.87Å; L651-L655 VanDerWaalsContact O-N 3.14Å; L651-L725 HydrophobicContact CD1-CD2 3.9Å; L651-L725 HydrophobicContact CD2-CD2 4.07Å
652	R	98.2	Very high	98.2	Very high	1 Å²	1	20 Å²	20	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-53.3	-51.3	170.2	177.1	-177.3	-175.7	77.5	-4.1	111.3	L315 A616 Y618 P619 S621 S648 L649 K650 H654 L655 L656	L315-R652 PolarHBondContact O-NE 3.32Å; L315-R652 PolarHBondContact O-NH2 2.95Å; A616-R652 HydrophobicContact CB-CB 4.2Å; A616-R652 WeakPolarHBondContact O-CB 3.36Å; A616-R652 VanDerWaalsContact O-CD 3.3Å; A616-R652 WeakPolarHBondContact O-CD 3.46Å; A616-R652 VanDerWaalsContact O-CG 3.25Å; A616-R652 WeakPolarHBondContact O-CG 3.3Å; A616-R652 PolarHBondContact O-NH1 2.82Å; Y618-R652 PolarHBondContact O-NH1 2.63Å; Y618-R652 PolarHBondContact O-NH2 2.84Å; P619-R652 PolarHBondContact O-NH2 3.14Å; S621-R652 VanDerWaalsContact CB-CZ 3.46Å; S648-R652 PolarHBondContact O-N 2.88Å; L649-R652 VanDerWaalsContact O-CB 3.31Å; L649-R652 WeakPolarHBondContact O-CB 3.46Å; L649-R652 PolarHBondContact O-N 3.42Å; K650-R652 VanDerWaalsContact C-N 3.33Å; K650-R652 PolarHBondContact O-N 3.44Å; R652-H654 VanDerWaalsContact C-N 3.28Å; R652-H654 PolarHBondContact O-N 3.01Å; R652-L655 CarbonylContact O-C 3.51Å; R652-L655 WeakPolarHBondContact O-CA 3.44Å; R652-L655 PolarHBondContact O-N 2.83Å; R652-L656 HydrophobicContact CG-CD2 4.08Å; R652-L656 WeakPolarHBondContact O-CG 3.24Å; R652-L656 PolarHBondContact O-N 3.2Å
653	Y	98.5	Very high	98.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62	-34.9	-178	-85	-116	0	0	0	112.7	G316 F317 P343 D345 L649 K650 L651 L655 L656 T766	G316-Y653 WeakPolarHBondContact CA-OH 3.35Å; F317-Y653 HydrophobicContact CB-CE2 4.16Å; F317-Y653 PolarHBondContact N-OH 2.99Å; P343-Y653 HydrophobicContact CB-CD1 4.01Å; P343-Y653 HydrophobicContact CB-CD2 3.77Å; P343-Y653 HydrophobicContact CB-CE1 3.69Å; P343-Y653 HydrophobicContact CB-CE2 3.4Å; P343-Y653 VanDerWaalsContact CB-CE2 3.4Å; P343-Y653 HydrophobicContact CB-CG 4.04Å; P343-Y653 HydrophobicContact CG-CD2 4.32Å; P343-Y653 HydrophobicContact CG-CE2 4.37Å; P343-Y653 HydrophobicContact CG-CG 4.49Å; D345-Y653 PolarHBondContact N-OH 3.35Å; D345-Y653 WeakPolarHBondContact OD2-CE1 3.38Å; D345-Y653 VanDerWaalsContact OD2-CZ 3.23Å; D345-Y653 PolarHBondContact OD2-OH 2.96Å; L649-Y653 WeakPolarHBondContact O-CD2 3.36Å; L649-Y653 PolarHBondContact O-N 2.87Å; K650-Y653 PolarHBondContact O-N 2.88Å; K650-Y653 VanDerWaalsContact O-N 3.13Å; L651-Y653 VanDerWaalsContact C-N 3.33Å; L651-Y653 PolarHBondContact O-N 3.43Å; Y653-L655 VanDerWaalsContact C-N 3.29Å; Y653-L655 PolarHBondContact O-N 2.75Å; Y653-L656 HydrophobicContact CD1-CD1 4.18Å; Y653-L656 HydrophobicContact CD2-CD1 4.48Å; Y653-L656 HydrophobicContact CG-CD1 4.16Å; Y653-T766 HydrophobicContact CE1-CG2 4.32Å
654	H	97.4	Very high	98.1	Very high	59 Å²	59	16.2 Å²	16.2	27%	0.273	8%	0.077	S	C	.	.	H	α-helix	trans	-62.1	-36.9	170.6	-74.5	-64.3	0	0	0	112.4	K650 L651 R652 M759 Q760 S762	K650-H654 PolarHBondContact O-CD2 2.94Å; K650-H654 PolarHBondContact O-N 3.21Å; L651-H654 WeakPolarHBondContact O-CB 3.19Å; L651-H654 PolarHBondContact O-N 3.02Å; R652-H654 VanDerWaalsContact C-N 3.28Å; R652-H654 PolarHBondContact O-N 3.01Å; H654-M759 HydrophobicContact CB-CE 3.63Å; H654-M759 CarbonylContact O-C 3.53Å; H654-M759 WeakPolarHBondContact O-CA 3.38Å; H654-M759 WeakPolarHBondContact O-CB 3.16Å; H654-Q760 PolarHBondContact ND1-O 2.92Å; H654-Q760 PolarHBondContact O-N 3.34Å; H654-S762 PolarHBondContact CE1-N 2.71Å; H654-S762 VanDerWaalsContact CE1-N 3.29Å; H654-S762 PolarHBondContact ND1-N 3.01Å
655	L	97.9	Very high	98.1	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-90.1	-4.9	-175.6	-65.9	174.6	0	0	0	114.7	F617 L651 R652 Y653 P657 Y658 I659 I700 I757 M759	F617-L655 HydrophobicContact CE1-CD1 3.92Å; L651-L655 HydrophobicContact CD1-CD1 4.05Å; L651-L655 HydrophobicContact CD1-CG 4.26Å; L651-L655 HydrophobicContact CG-CD1 4.21Å; L651-L655 WeakPolarHBondContact O-CG 3.31Å; L651-L655 PolarHBondContact O-N 2.87Å; L651-L655 VanDerWaalsContact O-N 3.14Å; R652-L655 CarbonylContact O-C 3.51Å; R652-L655 WeakPolarHBondContact O-CA 3.44Å; R652-L655 PolarHBondContact O-N 2.83Å; Y653-L655 VanDerWaalsContact C-N 3.29Å; Y653-L655 PolarHBondContact O-N 2.75Å; L655-P657 VanDerWaalsContact C-CD 3.41Å; L655-P657 VanDerWaalsContact C-N 3.33Å; L655-Y658 WeakPolarHBondContact O-CA 3.06Å; L655-Y658 WeakPolarHBondContact O-CB 3.48Å; L655-Y658 PolarHBondContact O-N 3.22Å; L655-I659 HydrophobicContact CB-CD1 4.33Å; L655-I659 PolarHBondContact O-N 3.25Å; L655-I700 HydrophobicContact CD1-CD1 4.07Å; L655-I700 HydrophobicContact CD2-CD1 3.89Å; L655-I757 HydrophobicContact CD2-CG2 4.09Å; L655-M759 HydrophobicContact CD2-CE 4.24Å
656	L	98.7	Very high	98.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-54.4	-38	-178.6	-68.6	-179.3	0	0	0	114.6	Y312 L315 R652 Y653 Y658 I659 Y660 T766	Y312-L656 HydrophobicContact CE1-CB 4.29Å; Y312-L656 HydrophobicContact CE1-CD1 4.36Å; Y312-L656 HydrophobicContact CE2-CB 4.49Å; Y312-L656 WeakPolarHBondContact OH-CB 3.23Å; L315-L656 HydrophobicContact CB-CD2 3.66Å; L315-L656 WeakPolarHBondContact O-CD2 3.46Å; R652-L656 HydrophobicContact CG-CD2 4.08Å; R652-L656 WeakPolarHBondContact O-CG 3.24Å; R652-L656 PolarHBondContact O-N 3.2Å; Y653-L656 HydrophobicContact CD1-CD1 4.18Å; Y653-L656 HydrophobicContact CD2-CD1 4.48Å; Y653-L656 HydrophobicContact CG-CD1 4.16Å; L656-Y658 VanDerWaalsContact C-N 3.29Å; L656-Y658 PolarHBondContact O-N 3.29Å; L656-I659 HydrophobicContact CD2-CD1 4.27Å; L656-I659 PolarHBondContact O-N 2.85Å; L656-Y660 WeakPolarHBondContact O-CB 3.29Å; L656-Y660 PolarHBondContact O-N 3.38Å; L656-T766 HydrophobicContact CD1-CG2 3.56Å
657	P	98.3	Very high	98	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.5	-38	174	-24.5	35.1	0	0	0	113.7	Y312 L655 T661 P758 Q760 F774 L800 W802	Y312-P657 WeakPolarHBondContact OH-CD 3.22Å; L655-P657 VanDerWaalsContact C-CD 3.41Å; L655-P657 VanDerWaalsContact C-N 3.33Å; P657-T661 WeakPolarHBondContact O-CB 3.49Å; P657-T661 PolarHBondContact O-N 2.98Å; P657-T661 VanDerWaalsContact O-N 3.09Å; P657-T661 PolarHBondContact O-OG1 3.48Å; P657-P758 HydrophobicContact CB-CB 4.31Å; P657-P758 HydrophobicContact CB-CG 4.33Å; P657-Q760 HydrophobicContact CG-CB 4Å; P657-Q760 HydrophobicContact CG-CG 3.57Å; P657-F774 HydrophobicContact CB-CD1 4.36Å; P657-F774 HydrophobicContact CB-CE1 3.75Å; P657-F774 HydrophobicContact CG-CD1 4.15Å; P657-F774 HydrophobicContact CG-CE1 3.65Å; P657-L800 HydrophobicContact CB-CD1 3.82Å; P657-W802 HydrophobicContact CB-CZ3 4.14Å; P657-W802 HydrophobicContact CG-CZ3 4.33Å
658	Y	98.4	Very high	98	Very high	17 Å²	17	20.7 Å²	20.7	7%	0.067	9%	0.093	C	C	.	.	H	α-helix	trans	-66.1	-51.5	174.7	177.4	-108	0	0	0	110.6	L655 L656 Y660 T661 L662 L696 S698 C699 I700 I757	L655-Y658 WeakPolarHBondContact O-CA 3.06Å; L655-Y658 WeakPolarHBondContact O-CB 3.48Å; L655-Y658 PolarHBondContact O-N 3.22Å; L656-Y658 VanDerWaalsContact C-N 3.29Å; L656-Y658 PolarHBondContact O-N 3.29Å; Y658-Y660 VanDerWaalsContact C-N 3.31Å; Y658-Y660 PolarHBondContact O-N 3.15Å; Y658-T661 WeakPolarHBondContact O-CB 3.24Å; Y658-T661 PolarHBondContact O-N 2.8Å; Y658-L662 HydrophobicContact CD1-CD1 4.14Å; Y658-L662 HydrophobicContact CD1-CG 4.49Å; Y658-L662 HydrophobicContact CE1-CD1 3.66Å; Y658-L662 HydrophobicContact CE1-CD2 4.38Å; Y658-L662 HydrophobicContact CE1-CG 4.18Å; Y658-L662 HydrophobicContact CE2-CD2 4.24Å; Y658-L662 WeakPolarHBondContact O-CG 3.42Å; Y658-L662 PolarHBondContact O-N 3.35Å; Y658-L696 HydrophobicContact CD1-CD2 4.37Å; Y658-L696 HydrophobicContact CE1-CD2 4.34Å; Y658-L696 HydrophobicContact CE1-CG 4.13Å; Y658-L696 PolarHBondContact OH-O 2.76Å; Y658-S698 PolarHBondContact OH-N 2.76Å; Y658-C699 HydrophobicContact CE2-CB 4.38Å; Y658-C699 WeakPolarHBondContact OH-CB 3.48Å; Y658-C699 PolarHBondContact OH-N 3.23Å; Y658-I700 HydrophobicContact CD1-CD1 3.74Å; Y658-I700 HydrophobicContact CE1-CD1 3.69Å; Y658-I700 HydrophobicContact CE1-CG1 4.06Å; Y658-I757 HydrophobicContact CD2-CG2 4.36Å; Y658-I757 HydrophobicContact CG-CG2 4.25Å
659	I	98.7	Very high	97.8	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-56.9	-45.6	178.8	-66.1	166	0	0	0	110.8	L315 L655 L656 T661 L662 F663 L696	L315-I659 HydrophobicContact CD1-CG2 4.22Å; L315-I659 HydrophobicContact CD2-CG2 4.43Å; L655-I659 HydrophobicContact CB-CD1 4.33Å; L655-I659 PolarHBondContact O-N 3.25Å; L656-I659 HydrophobicContact CD2-CD1 4.27Å; L656-I659 PolarHBondContact O-N 2.85Å; I659-T661 VanDerWaalsContact C-N 3.28Å; I659-T661 PolarHBondContact O-N 3.49Å; I659-L662 WeakPolarHBondContact O-CA 3.47Å; I659-L662 VanDerWaalsContact O-CB 3.31Å; I659-L662 WeakPolarHBondContact O-CB 3.27Å; I659-L662 PolarHBondContact O-N 3.06Å; I659-F663 HydrophobicContact CG2-CD2 4.14Å; I659-F663 HydrophobicContact CG2-CE2 3.92Å; I659-F663 WeakPolarHBondContact O-CD2 3.48Å; I659-F663 PolarHBondContact O-N 3.2Å; I659-F663 VanDerWaalsContact O-N 3.11Å; I659-L696 HydrophobicContact CD1-CD2 4.23Å; I659-L696 HydrophobicContact CG1-CD1 4.44Å; I659-L696 HydrophobicContact CG1-CD2 3.86Å
660	Y	98.6	Very high	97.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.3	-36.6	178	-167.4	-128.6	0	0	0	112.8	I309 P310 Y312 L315 R544 L656 Y658 L662 F663 Y664 F801 W802 D803	I309-Y660 HydrophobicContact CG2-CD2 4.03Å; I309-Y660 HydrophobicContact CG2-CE2 3.41Å; I309-Y660 VanDerWaalsContact CG2-CE2 3.41Å; P310-Y660 WeakPolarHBondContact O-CE2 3.32Å; Y312-Y660 AromaticContact CD2-CD1 3.49Å; Y312-Y660 HydrophobicContact CD2-CD1 3.49Å; Y312-Y660 VanDerWaalsContact CD2-CD1 3.49Å; Y312-Y660 AromaticContact CD2-CD2 3.69Å; Y312-Y660 HydrophobicContact CD2-CD2 3.69Å; Y312-Y660 AromaticContact CD2-CE1 3.71Å; Y312-Y660 HydrophobicContact CD2-CE1 3.71Å; Y312-Y660 AromaticContact CD2-CE2 3.89Å; Y312-Y660 HydrophobicContact CD2-CE2 3.89Å; Y312-Y660 AromaticContact CD2-CG 3.46Å; Y312-Y660 HydrophobicContact CD2-CG 3.46Å; Y312-Y660 VanDerWaalsContact CD2-CG 3.46Å; Y312-Y660 AromaticContact CD2-CZ 3.89Å; Y312-Y660 AromaticContact CE2-CD1 3.75Å; Y312-Y660 HydrophobicContact CE2-CD1 3.75Å; Y312-Y660 HydrophobicContact CE2-CD2 4.32Å; Y312-Y660 HydrophobicContact CE2-CE1 4.37Å; Y312-Y660 AromaticContact CE2-CG 3.7Å; Y312-Y660 HydrophobicContact CE2-CG 3.7Å; L315-Y660 HydrophobicContact CD1-CD2 3.71Å; L315-Y660 HydrophobicContact CD1-CG 4.2Å; R544-Y660 PolarHBondContact NH1-OH 3.03Å; L656-Y660 WeakPolarHBondContact O-CB 3.29Å; L656-Y660 PolarHBondContact O-N 3.38Å; Y658-Y660 VanDerWaalsContact C-N 3.31Å; Y658-Y660 PolarHBondContact O-N 3.15Å; Y660-L662 VanDerWaalsContact C-N 3.31Å; Y660-L662 PolarHBondContact O-N 3.07Å; Y660-F663 WeakPolarHBondContact O-CB 3.49Å; Y660-F663 PolarHBondContact O-N 2.92Å; Y660-Y664 PolarHBondContact O-N 3.33Å; Y660-Y664 VanDerWaalsContact O-N 3.08Å; Y660-F801 AromaticContact CD1-CD1 3.66Å; Y660-F801 HydrophobicContact CD1-CD1 3.66Å; Y660-F801 HydrophobicContact CD1-CE1 4.03Å; Y660-F801 AromaticContact CE1-CD1 3.51Å; Y660-F801 HydrophobicContact CE1-CD1 3.51Å; Y660-F801 AromaticContact CE1-CE1 3.39Å; Y660-F801 HydrophobicContact CE1-CE1 3.39Å; Y660-F801 HydrophobicContact CG-CD1 4.5Å; Y660-F801 AromaticContact CZ-CE1 3.74Å; Y660-W802 HydrophobicContact CD1-CE3 4.49Å; Y660-W802 HydrophobicContact CD1-CZ3 4.46Å; Y660-D803 WeakPolarHBondContact CE1-OD1 3.27Å; Y660-D803 PolarHBondContact OH-OD1 2.9Å; Y660-D803 PolarHBondContact OH-OD2 3.1Å
661	T	98.6	Very high	97.4	Very high	4 Å²	4	22.9 Å²	22.9	3%	0.025	11%	0.108	C	C	.	.	H	α-helix	trans	-69.5	-29.5	174.3	-54.6	0	0	0	0	112.1	P657 Y658 I659 Y664 R665 E799 F801	P657-T661 WeakPolarHBondContact O-CB 3.49Å; P657-T661 PolarHBondContact O-N 2.98Å; P657-T661 VanDerWaalsContact O-N 3.09Å; P657-T661 PolarHBondContact O-OG1 3.48Å; Y658-T661 WeakPolarHBondContact O-CB 3.24Å; Y658-T661 PolarHBondContact O-N 2.8Å; I659-T661 VanDerWaalsContact C-N 3.28Å; I659-T661 PolarHBondContact O-N 3.49Å; T661-Y664 WeakPolarHBondContact O-CB 3.43Å; T661-Y664 PolarHBondContact O-N 3.01Å; T661-R665 PolarHBondContact O-N 3.13Å; T661-E799 HydrophobicContact CG2-CG 3.7Å; T661-F801 HydrophobicContact CG2-CB 4.13Å; T661-F801 PolarHBondContact OG1-N 3Å
662	L	98.7	Very high	97.4	Very high	14 Å²	14	21.1 Å²	21.1	7%	0.073	10%	0.099	C	C	.	.	H	α-helix	trans	-66.3	-38.6	170.4	-59.9	179.3	0	0	0	111.8	Y658 I659 Y660 Y664 R665 S666 V673 L696	Y658-L662 HydrophobicContact CD1-CD1 4.14Å; Y658-L662 HydrophobicContact CD1-CG 4.49Å; Y658-L662 HydrophobicContact CE1-CD1 3.66Å; Y658-L662 HydrophobicContact CE1-CD2 4.38Å; Y658-L662 HydrophobicContact CE1-CG 4.18Å; Y658-L662 HydrophobicContact CE2-CD2 4.24Å; Y658-L662 WeakPolarHBondContact O-CG 3.42Å; Y658-L662 PolarHBondContact O-N 3.35Å; I659-L662 WeakPolarHBondContact O-CA 3.47Å; I659-L662 VanDerWaalsContact O-CB 3.31Å; I659-L662 WeakPolarHBondContact O-CB 3.27Å; I659-L662 PolarHBondContact O-N 3.06Å; Y660-L662 VanDerWaalsContact C-N 3.31Å; Y660-L662 PolarHBondContact O-N 3.07Å; L662-Y664 VanDerWaalsContact C-N 3.34Å; L662-R665 CarbonylContact O-C 3.57Å; L662-R665 WeakPolarHBondContact O-CB 3.38Å; L662-R665 PolarHBondContact O-N 2.78Å; L662-R665 VanDerWaalsContact O-N 3.14Å; L662-S666 PolarHBondContact O-N 2.83Å; L662-V673 HydrophobicContact CB-CB 4.38Å; L662-V673 HydrophobicContact CB-CG1 4.08Å; L662-V673 HydrophobicContact CB-CG2 4.01Å; L662-V673 HydrophobicContact CD1-CG1 4.05Å; L662-L696 HydrophobicContact CD1-CD1 3.93Å; L662-L696 HydrophobicContact CD1-CG 3.87Å
663	F	98.6	Very high	97.5	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.009	10%	0.098	C	C	.	.	H	α-helix	trans	-62.5	-40.5	172.5	-83.1	-80.4	0	0	0	112.3	I309 P310 L315 P590 M591 P619 I659 Y660 R665 S666 Y667 V673	I309-F663 HydrophobicContact CG2-CB 4.41Å; P310-F663 HydrophobicContact CG-CB 4.43Å; P310-F663 HydrophobicContact CG-CD1 3.77Å; P310-F663 HydrophobicContact CG-CD2 4.11Å; P310-F663 HydrophobicContact CG-CE1 3.98Å; P310-F663 HydrophobicContact CG-CE2 4.31Å; P310-F663 HydrophobicContact CG-CG 3.84Å; P310-F663 HydrophobicContact CG-CZ 4.24Å; L315-F663 HydrophobicContact CD2-CD2 3.99Å; L315-F663 HydrophobicContact CD2-CE2 3.56Å; L315-F663 HydrophobicContact CD2-CZ 4.26Å; P590-F663 HydrophobicContact CB-CD1 4.5Å; P590-F663 HydrophobicContact CB-CE1 3.94Å; P590-F663 HydrophobicContact CG-CD1 4.17Å; P590-F663 HydrophobicContact CG-CE1 3.83Å; M591-F663 HydrophobicContact CB-CE1 3.84Å; M591-F663 HydrophobicContact CB-CZ 4.02Å; M591-F663 HydrophobicContact CG-CZ 4.36Å; M591-F663 HydrophobicContact SD-CE1 4.03Å; M591-F663 HydrophobicContact SD-CE2 4.1Å; M591-F663 HydrophobicContact SD-CZ 3.41Å; M591-F663 WeakPolarHBondContact SD-CZ 3.32Å; P619-F663 HydrophobicContact CB-CE2 4.32Å; P619-F663 HydrophobicContact CB-CZ 3.92Å; I659-F663 HydrophobicContact CG2-CD2 4.14Å; I659-F663 HydrophobicContact CG2-CE2 3.92Å; I659-F663 WeakPolarHBondContact O-CD2 3.48Å; I659-F663 PolarHBondContact O-N 3.2Å; I659-F663 VanDerWaalsContact O-N 3.11Å; Y660-F663 WeakPolarHBondContact O-CB 3.49Å; Y660-F663 PolarHBondContact O-N 2.92Å; F663-R665 VanDerWaalsContact C-N 3.28Å; F663-R665 PolarHBondContact O-N 2.7Å; F663-S666 WeakPolarHBondContact O-CB 3.29Å; F663-S666 PolarHBondContact O-N 3.48Å; F663-S666 VanDerWaalsContact O-N 3.12Å; F663-Y667 WeakPolarHBondContact O-CB 3.32Å; F663-Y667 PolarHBondContact O-N 2.9Å; F663-V673 HydrophobicContact CD1-CG2 4.1Å; F663-V673 HydrophobicContact CD2-CG2 4.1Å; F663-V673 HydrophobicContact CE1-CG2 4.14Å; F663-V673 HydrophobicContact CE2-CG1 4.21Å; F663-V673 HydrophobicContact CE2-CG2 4.12Å; F663-V673 HydrophobicContact CG-CG2 4.08Å; F663-V673 HydrophobicContact CZ-CG2 4.15Å
664	Y	97.7	Very high	97.5	Very high	13 Å²	13	21.1 Å²	21.1	5%	0.051	10%	0.098	C	C	.	.	H	α-helix	trans	-58.4	-39.8	171.3	171.2	-112.4	0	0	0	112.5	I309 Y660 T661 L662 Y667 L668 F801 Y812 H814	I309-Y664 HydrophobicContact CD1-CD2 3.82Å; I309-Y664 HydrophobicContact CD1-CG 4.47Å; Y660-Y664 PolarHBondContact O-N 3.33Å; Y660-Y664 VanDerWaalsContact O-N 3.08Å; T661-Y664 WeakPolarHBondContact O-CB 3.43Å; T661-Y664 PolarHBondContact O-N 3.01Å; L662-Y664 VanDerWaalsContact C-N 3.34Å; Y664-Y667 PolarHBondContact O-N 2.78Å; Y664-L668 HydrophobicContact CD1-CD1 4.23Å; Y664-L668 HydrophobicContact CD2-CD1 4.22Å; Y664-L668 HydrophobicContact CD2-CG 4.14Å; Y664-L668 HydrophobicContact CE1-CD1 3.54Å; Y664-L668 HydrophobicContact CE1-CG 4.42Å; Y664-L668 HydrophobicContact CE2-CD1 3.53Å; Y664-L668 HydrophobicContact CE2-CD2 4.24Å; Y664-L668 HydrophobicContact CE2-CG 3.76Å; Y664-L668 WeakPolarHBondContact O-CG 3.42Å; Y664-L668 PolarHBondContact O-N 2.82Å; Y664-L668 VanDerWaalsContact OH-CD1 3.32Å; Y664-L668 WeakPolarHBondContact OH-CD1 3.23Å; Y664-F801 HydrophobicContact CD1-CB 3.73Å; Y664-F801 HydrophobicContact CD1-CD2 4.01Å; Y664-F801 HydrophobicContact CD1-CG 4.12Å; Y664-F801 HydrophobicContact CD2-CB 4.32Å; Y664-F801 AromaticContact CD2-CD2 3.17Å; Y664-F801 HydrophobicContact CD2-CD2 3.17Å; Y664-F801 AromaticContact CD2-CE2 3.47Å; Y664-F801 HydrophobicContact CD2-CE2 3.47Å; Y664-F801 VanDerWaalsContact CD2-CE2 3.47Å; Y664-F801 AromaticContact CD2-CG 3.8Å; Y664-F801 HydrophobicContact CD2-CG 3.8Å; Y664-F801 HydrophobicContact CD2-CZ 4.33Å; Y664-F801 HydrophobicContact CE1-CB 4.39Å; Y664-F801 HydrophobicContact CE1-CD2 4.25Å; Y664-F801 AromaticContact CE2-CD2 3.48Å; Y664-F801 HydrophobicContact CE2-CD2 3.48Å; Y664-F801 VanDerWaalsContact CE2-CD2 3.48Å; Y664-F801 AromaticContact CE2-CE2 3.75Å; Y664-F801 HydrophobicContact CE2-CE2 3.75Å; Y664-F801 HydrophobicContact CE2-CG 4.44Å; Y664-F801 HydrophobicContact CG-CB 3.65Å; Y664-F801 HydrophobicContact CG-CD1 4.4Å; Y664-F801 AromaticContact CG-CD2 3.43Å; Y664-F801 HydrophobicContact CG-CD2 3.43Å; Y664-F801 VanDerWaalsContact CG-CD2 3.43Å; Y664-F801 HydrophobicContact CG-CE2 4.14Å; Y664-F801 AromaticContact CG-CG 3.57Å; Y664-F801 HydrophobicContact CG-CG 3.57Å; Y664-F801 AromaticContact CZ-CD2 3.98Å; Y664-Y812 HydrophobicContact CE2-CE1 4.44Å; Y664-Y812 HydrophobicContact CE2-CE2 4.13Å; Y664-Y812 AromaticContact CE2-CZ 3.98Å; Y664-Y812 WeakPolarHBondContact OH-CE2 3.33Å; Y664-Y812 PolarHBondContact OH-OH 2.89Å; Y664-H814 AromaticContact CE1-CD2 3.71Å
665	R	97.6	Very high	97.5	Very high	73 Å²	73	19 Å²	19	28%	0.275	9%	0.088	S	C	.	.	H	α-helix	trans	-69.9	-31.1	174.7	-72	-60.7	-166	-175	-3.1	113.6	T661 L662 F663 N669 T671 E799	T661-R665 PolarHBondContact O-N 3.13Å; L662-R665 CarbonylContact O-C 3.57Å; L662-R665 WeakPolarHBondContact O-CB 3.38Å; L662-R665 PolarHBondContact O-N 2.78Å; L662-R665 VanDerWaalsContact O-N 3.14Å; F663-R665 VanDerWaalsContact C-N 3.28Å; F663-R665 PolarHBondContact O-N 2.7Å; R665-N669 PolarHBondContact O-N 3.11Å; R665-T671 VanDerWaalsContact CB-OG1 3.28Å; R665-T671 WeakPolarHBondContact CB-OG1 3.48Å; R665-T671 PolarHBondContact O-OG1 3.44Å; R665-T671 VanDerWaalsContact O-OG1 3.09Å; R665-E799 IonicContact CZ-OE1 3.01Å; R665-E799 IonicContact CZ-OE2 3.67Å; R665-E799 VanDerWaalsContact NE-CD 3.27Å; R665-E799 IonicContact NE-OE1 3.39Å; R665-E799 PolarHBondContact NE-OE1 2.83Å; R665-E799 IonicContact NE-OE2 3.79Å; R665-E799 PolarHBondContact NE-OE2 2.83Å; R665-E799 IonicContact NH2-OE1 2.78Å; R665-E799 PolarHBondContact NH2-OE1 2.92Å; R665-E799 IonicContact NH2-OE2 3.85Å; R665-E799 PolarHBondContact NH2-OE2 2.8Å
666	S	98	Very high	97.5	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.007	9%	0.087	C	C	.	.	H	α-helix	trans	-66.2	-45.9	171.8	-155.6	0	0	0	0	111.2	P307 L662 F663 G670 T671	P307-S666 WeakPolarHBondContact CG-OG 3.41Å; L662-S666 PolarHBondContact O-N 2.83Å; F663-S666 WeakPolarHBondContact O-CB 3.29Å; F663-S666 PolarHBondContact O-N 3.48Å; F663-S666 VanDerWaalsContact O-N 3.12Å; S666-G670 WeakPolarHBondContact O-CA 3.36Å; S666-G670 PolarHBondContact O-N 2.94Å; S666-T671 WeakPolarHBondContact CA-O 3.38Å; S666-T671 WeakPolarHBondContact CB-O 3.33Å; S666-T671 PolarHBondContact OG-O 3.29Å
667	Y	97.1	Very high	97.5	Very high	83 Å²	83	18.8 Å²	18.8	33%	0.325	9%	0.087	S	C	.	.	H	α-helix	trans	-60.5	-45.2	175.4	170.1	-106.2	0	0	0	112.8	H306 P307 I309 F663 Y664 L810	H306-Y667 VanDerWaalsContact CB-O 3.25Å; H306-Y667 WeakPolarHBondContact CB-O 3.29Å; H306-Y667 PolarHBondContact ND1-O 2.87Å; P307-Y667 WeakPolarHBondContact O-CA 3.3Å; P307-Y667 WeakPolarHBondContact O-CB 3.31Å; I309-Y667 HydrophobicContact CD1-CD1 4.23Å; I309-Y667 HydrophobicContact CD1-CG 4.47Å; I309-Y667 HydrophobicContact CG1-CD1 4.28Å; I309-Y667 HydrophobicContact CG1-CG 4.02Å; F663-Y667 WeakPolarHBondContact O-CB 3.32Å; F663-Y667 PolarHBondContact O-N 2.9Å; Y664-Y667 PolarHBondContact O-N 2.78Å; Y667-L810 HydrophobicContact CE1-CD1 3.97Å; Y667-L810 HydrophobicContact CE2-CD1 4.47Å
668	L	95.5	Very high	97.4	Very high	59 Å²	59	18.9 Å²	18.9	31%	0.309	9%	0.088	S	C	.	.	H	α-helix	trans	-77.3	-47.7	-176.9	-74.7	-171.5	0	0	0	114.2	H306 Y664	H306-L668 PolarHBondContact ND1-O 3.46Å; Y664-L668 HydrophobicContact CD1-CD1 4.23Å; Y664-L668 HydrophobicContact CD2-CD1 4.22Å; Y664-L668 HydrophobicContact CD2-CG 4.14Å; Y664-L668 HydrophobicContact CE1-CD1 3.54Å; Y664-L668 HydrophobicContact CE1-CG 4.42Å; Y664-L668 HydrophobicContact CE2-CD1 3.53Å; Y664-L668 HydrophobicContact CE2-CD2 4.24Å; Y664-L668 HydrophobicContact CE2-CG 3.76Å; Y664-L668 WeakPolarHBondContact O-CG 3.42Å; Y664-L668 PolarHBondContact O-N 2.82Å; Y664-L668 VanDerWaalsContact OH-CD1 3.32Å; Y664-L668 WeakPolarHBondContact OH-CD1 3.23Å
669	N	93.7	Very high	97.4	Very high	82 Å²	82	18.3 Å²	18.3	44%	0.439	9%	0.086	S	C	.	.	H	α-helix	trans	-132	24.2	-163.3	-62.5	-4.6	0	0	0	112.4	N298 R665 T671	N298-N669 PolarHBondContact OD1-O 2.78Å; R665-N669 PolarHBondContact O-N 3.11Å; N669-T671 HydrophobicContact CB-CG2 4.34Å; N669-T671 PolarHBondContact O-N 2.9Å
670	G	93.4	Very high	97.3	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.094	C	C	.	.			trans	55.1	25.5	174.3	0	0	0	0	0	115.5	N298 S666	N298-G670 WeakPolarHBondContact OD1-CA 3.12Å; N298-G670 PolarHBondContact OD1-N 3.21Å; S666-G670 WeakPolarHBondContact O-CA 3.36Å; S666-G670 PolarHBondContact O-N 2.94Å
671	T	94.7	Very high	97.3	Very high	30 Å²	30	20.9 Å²	20.9	18%	0.184	10%	0.098	C	C	.	.			trans	-80.7	153.4	177.6	63.7	0	0	0	0	111.1	R665 S666 N669	R665-T671 VanDerWaalsContact CB-OG1 3.28Å; R665-T671 WeakPolarHBondContact CB-OG1 3.48Å; R665-T671 PolarHBondContact O-OG1 3.44Å; R665-T671 VanDerWaalsContact O-OG1 3.09Å; S666-T671 WeakPolarHBondContact CA-O 3.38Å; S666-T671 WeakPolarHBondContact CB-O 3.33Å; S666-T671 PolarHBondContact OG-O 3.29Å; N669-T671 HydrophobicContact CB-CG2 4.34Å; N669-T671 PolarHBondContact O-N 2.9Å
672	T	97.9	Very high	97.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.098	C	C	.	.			trans	-84.5	147	-179.8	47.8	0	0	0	0	112.1	L294 I297 N585 R675	L294-T672 WeakPolarHBondContact CD2-OG1 3.28Å; I297-T672 HydrophobicContact CD1-CG2 3.86Å; I297-T672 HydrophobicContact CG2-CG2 3.97Å; N585-T672 HydrophobicContact CB-CG2 4.07Å; N585-T672 VanDerWaalsContact O-CG2 3.29Å; N585-T672 WeakPolarHBondContact O-CG2 3.48Å; T672-R675 PolarHBondContact O-NE 2.71Å; T672-R675 PolarHBondContact O-NH2 3.29Å; T672-R675 WeakPolarHBondContact OG1-CB 3.42Å; T672-R675 PolarHBondContact OG1-NE 2.53Å; T672-R675 VanDerWaalsContact OG1-NE 3.13Å
673	V	98.7	Very high	97.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-80.6	-57.1	175.6	175.4	0	0	0	0	109.7	N585 P590 P619 L662 F663 L696 G697	N585-V673 WeakPolarHBondContact OD1-CA 3.47Å; N585-V673 WeakPolarHBondContact OD1-CB 3.26Å; N585-V673 PolarHBondContact OD1-N 3.5Å; P590-V673 HydrophobicContact CB-CB 4.16Å; P590-V673 HydrophobicContact CB-CG2 3.71Å; P619-V673 HydrophobicContact CB-CG1 4.29Å; P619-V673 HydrophobicContact CG-CB 4.36Å; P619-V673 HydrophobicContact CG-CG1 3.99Å; L662-V673 HydrophobicContact CB-CB 4.38Å; L662-V673 HydrophobicContact CB-CG1 4.08Å; L662-V673 HydrophobicContact CB-CG2 4.01Å; L662-V673 HydrophobicContact CD1-CG1 4.05Å; F663-V673 HydrophobicContact CD1-CG2 4.1Å; F663-V673 HydrophobicContact CD2-CG2 4.1Å; F663-V673 HydrophobicContact CE1-CG2 4.14Å; F663-V673 HydrophobicContact CE2-CG1 4.21Å; F663-V673 HydrophobicContact CE2-CG2 4.12Å; F663-V673 HydrophobicContact CG-CG2 4.08Å; F663-V673 HydrophobicContact CZ-CG2 4.15Å; V673-L696 HydrophobicContact CG1-CD1 3.89Å; V673-G697 PolarHBondContact O-N 2.86Å
674	A	98.6	Very high	97.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.4	168.5	0	0	0	0	0	109.4	I581 N585 P619 F694 M695	I581-A674 HydrophobicContact CG2-CB 3.64Å; N585-A674 WeakPolarHBondContact CB-O 3.4Å; N585-A674 PolarHBondContact OD1-N 2.9Å; N585-A674 PolarHBondContact OD1-O 2.97Å; P619-A674 HydrophobicContact CG-CB 4.15Å; A674-F694 HydrophobicContact CB-CD2 3.92Å; A674-F694 HydrophobicContact CB-CE2 4.17Å; A674-M695 CarbonylContact C-O 3.49Å; A674-M695 WeakPolarHBondContact CA-O 3.11Å
675	R	97.6	Very high	97	Very high	14 Å²	14	31 Å²	31	5%	0.053	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	150.5	-171.7	71.4	-176.7	65.3	169.1	-0.7	113.4	L294 T672 F679 E680 M695 G697	L294-R675 VanDerWaalsContact CD1-NH1 3.34Å; T672-R675 PolarHBondContact O-NE 2.71Å; T672-R675 PolarHBondContact O-NH2 3.29Å; T672-R675 WeakPolarHBondContact OG1-CB 3.42Å; T672-R675 PolarHBondContact OG1-NE 2.53Å; T672-R675 VanDerWaalsContact OG1-NE 3.13Å; R675-F679 HydrophobicContact CB-CB 4.46Å; R675-F679 HydrophobicContact CB-CD2 4.1Å; R675-E680 IonicContact CZ-OE2 2.94Å; R675-E680 IonicContact NH1-OE2 3.02Å; R675-E680 PolarHBondContact NH1-OE2 3.05Å; R675-M695 HydrophobicContact CG-CB 3.73Å; R675-M695 PolarHBondContact N-O 3.02Å; R675-M695 PolarHBondContact O-N 3.13Å; R675-G697 WeakPolarHBondContact CD-O 3.22Å
676	A	98	Very high	97	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.008	15%	0.15	C	C	.	.			trans	-60.2	148.4	171.3	0	0	0	0	0	110.5	Y212 I582 A678 F679	Y212-A676 WeakPolarHBondContact OH-CB 3.27Å; I582-A676 HydrophobicContact CG2-CB 4.06Å; A676-A678 HydrophobicContact CB-CB 4.39Å; A676-A678 PolarHBondContact O-N 3.02Å; A676-F679 HydrophobicContact CB-CD1 3.76Å; A676-F679 HydrophobicContact CB-CD2 3.92Å; A676-F679 HydrophobicContact CB-CE1 3.74Å; A676-F679 HydrophobicContact CB-CE2 3.93Å; A676-F679 HydrophobicContact CB-CG 3.82Å; A676-F679 HydrophobicContact CB-CZ 3.83Å; A676-F679 WeakPolarHBondContact O-CB 3.48Å; A676-F679 PolarHBondContact O-N 3.19Å
677	L	98.4	Very high	97	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.5	-36.7	170.8	-80.4	66.1	0	0	0	110.5	F679 E680 F681 T687 V690 Q693 M695 L701 Y716 P718	L677-F679 PolarHBondContact O-N 2.88Å; L677-F679 VanDerWaalsContact O-N 3.15Å; L677-E680 PolarHBondContact O-N 3.41Å; L677-E680 VanDerWaalsContact O-N 3.12Å; L677-F681 WeakPolarHBondContact O-CD2 3.34Å; L677-F681 PolarHBondContact O-N 2.93Å; L677-T687 HydrophobicContact CB-CG2 4.08Å; L677-V690 HydrophobicContact CD1-CG1 4.27Å; L677-V690 HydrophobicContact CD2-CG1 4.15Å; L677-Q693 HydrophobicContact CD1-CB 3.91Å; L677-M695 HydrophobicContact CD1-CG 4.22Å; L677-M695 HydrophobicContact CG-CG 4.23Å; L677-L701 HydrophobicContact CD1-CD1 3.8Å; L677-L701 HydrophobicContact CD2-CD1 3.98Å; L677-L701 HydrophobicContact CG-CD1 4.09Å; L677-Y716 HydrophobicContact CD2-CD1 4.41Å; L677-P718 HydrophobicContact CD2-CG 4.18Å
678	A	97.7	Very high	96.9	Very high	2 Å²	2	25.5 Å²	25.5	2%	0.017	14%	0.135	C	C	.	.	H	α-helix	trans	-59.5	-22.3	175.3	0	0	0	0	0	114.2	F203 L247 A676 P682 T687	F203-A678 HydrophobicContact CZ-CB 4.15Å; L247-A678 HydrophobicContact CD2-CB 3.97Å; A676-A678 HydrophobicContact CB-CB 4.39Å; A676-A678 PolarHBondContact O-N 3.02Å; A678-P682 WeakPolarHBondContact O-CA 3.32Å; A678-P682 VanDerWaalsContact O-CB 3.3Å; A678-P682 WeakPolarHBondContact O-CB 3.2Å; A678-T687 WeakPolarHBondContact CA-OG1 3.39Å
679	F	97.7	Very high	96.9	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.018	15%	0.151	C	C	.	.	H	α-helix	trans	-83.2	-30.7	179.1	-57.1	-8.7	0	0	0	111.4	F203 M245 P293 L294 I297 I582 R675 A676 L677	F203-F679 AromaticContact CD1-CE1 3.86Å; F203-F679 HydrophobicContact CD1-CE1 3.86Å; F203-F679 AromaticContact CD1-CZ 3.91Å; F203-F679 HydrophobicContact CD1-CZ 3.91Å; F203-F679 AromaticContact CD2-CE1 3.83Å; F203-F679 HydrophobicContact CD2-CE1 3.83Å; F203-F679 HydrophobicContact CD2-CZ 4.36Å; F203-F679 AromaticContact CE1-CE1 3.75Å; F203-F679 HydrophobicContact CE1-CE1 3.75Å; F203-F679 HydrophobicContact CE1-CZ 4.19Å; F203-F679 AromaticContact CE2-CE1 3.74Å; F203-F679 HydrophobicContact CE2-CE1 3.74Å; F203-F679 AromaticContact CG-CE1 3.89Å; F203-F679 HydrophobicContact CG-CE1 3.89Å; F203-F679 AromaticContact CG-CZ 3.99Å; F203-F679 HydrophobicContact CG-CZ 3.99Å; F203-F679 AromaticContact CZ-CE1 3.69Å; F203-F679 HydrophobicContact CZ-CE1 3.69Å; M245-F679 HydrophobicContact CE-CD1 3.85Å; M245-F679 HydrophobicContact CE-CE1 3.27Å; M245-F679 HydrophobicContact CE-CE2 4.3Å; M245-F679 HydrophobicContact CE-CZ 3.54Å; P293-F679 HydrophobicContact CB-CB 4.16Å; P293-F679 HydrophobicContact CB-CD1 3.85Å; P293-F679 HydrophobicContact CB-CG 4.18Å; P293-F679 HydrophobicContact CG-CD1 4.5Å; L294-F679 HydrophobicContact CD2-CB 4.07Å; L294-F679 HydrophobicContact CG-CB 4.3Å; I297-F679 HydrophobicContact CD1-CD2 3.95Å; I297-F679 HydrophobicContact CD1-CE2 4.01Å; I582-F679 HydrophobicContact CG2-CE2 3.79Å; I582-F679 HydrophobicContact CG2-CZ 4.19Å; R675-F679 HydrophobicContact CB-CB 4.46Å; R675-F679 HydrophobicContact CB-CD2 4.1Å; A676-F679 HydrophobicContact CB-CD1 3.76Å; A676-F679 HydrophobicContact CB-CD2 3.92Å; A676-F679 HydrophobicContact CB-CE1 3.74Å; A676-F679 HydrophobicContact CB-CE2 3.93Å; A676-F679 HydrophobicContact CB-CG 3.82Å; A676-F679 HydrophobicContact CB-CZ 3.83Å; A676-F679 WeakPolarHBondContact O-CB 3.48Å; A676-F679 PolarHBondContact O-N 3.19Å; L677-F679 PolarHBondContact O-N 2.88Å; L677-F679 VanDerWaalsContact O-N 3.15Å
680	E	97.4	Very high	97	Very high	39 Å²	39	26 Å²	26	18%	0.182	13%	0.132	C	C	.	.	H	α-helix	trans	-90.2	-31.7	180	-171.4	63	-155.2	0	0	112.4	R675 L677 P682 M695 S698 R752	R675-E680 IonicContact CZ-OE2 2.94Å; R675-E680 IonicContact NH1-OE2 3.02Å; R675-E680 PolarHBondContact NH1-OE2 3.05Å; L677-E680 PolarHBondContact O-N 3.41Å; L677-E680 VanDerWaalsContact O-N 3.12Å; E680-P682 WeakPolarHBondContact O-CD 3.28Å; E680-M695 HydrophobicContact CB-CG 4.4Å; E680-S698 WeakPolarHBondContact OE1-CB 3.32Å; E680-R752 IonicContact OE1-NH1 3.61Å; E680-R752 PolarHBondContact OE1-NH1 2.9Å
681	F	97.7	Very high	97.1	Very high	18 Å²	18	28.8 Å²	28.8	8%	0.079	15%	0.146	C	C	.	.			trans	-127.1	54.8	-177.2	-52.6	-81.9	0	0	0	111.4	L677 E683 D684 T687 M695 P718 W722	L677-F681 WeakPolarHBondContact O-CD2 3.34Å; L677-F681 PolarHBondContact O-N 2.93Å; F681-E683 PolarHBondContact O-N 2.9Å; F681-E683 VanDerWaalsContact O-N 3.17Å; F681-D684 HydrophobicContact CB-CB 4.24Å; F681-D684 WeakPolarHBondContact O-CB 3.47Å; F681-D684 PolarHBondContact O-N 2.86Å; F681-T687 HydrophobicContact CB-CG2 4.1Å; F681-T687 PolarHBondContact O-OG1 3.07Å; F681-T687 VanDerWaalsContact O-OG1 3.11Å; F681-M695 HydrophobicContact CE2-CE 4.3Å; F681-M695 HydrophobicContact CE2-CG 4.24Å; F681-M695 HydrophobicContact CE2-SD 4.07Å; F681-P718 HydrophobicContact CD1-CB 3.83Å; F681-P718 HydrophobicContact CD1-CG 4.34Å; F681-P718 HydrophobicContact CD2-CB 3.95Å; F681-P718 HydrophobicContact CD2-CG 3.53Å; F681-P718 HydrophobicContact CE1-CB 3.89Å; F681-P718 HydrophobicContact CE1-CG 4.36Å; F681-P718 HydrophobicContact CE2-CB 4.05Å; F681-P718 HydrophobicContact CE2-CG 3.59Å; F681-P718 HydrophobicContact CG-CB 3.85Å; F681-P718 HydrophobicContact CG-CG 3.94Å; F681-P718 HydrophobicContact CZ-CB 4.01Å; F681-P718 HydrophobicContact CZ-CG 4.02Å; F681-W722 HydrophobicContact CE2-CH2 4.46Å; F681-W722 AromaticContact CZ-CH2 3.97Å; F681-W722 HydrophobicContact CZ-CH2 3.97Å; F681-W722 HydrophobicContact CZ-CZ2 4.13Å
682	P	97.6	Very high	97.2	Very high	4 Å²	4	29 Å²	29	3%	0.026	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.2	-170.9	28.1	-35.9	0	0	0	113.6	L247 G251 P293 A678 E680 D684 H688	L247-P682 HydrophobicContact CD1-CB 4.41Å; G251-P682 VanDerWaalsContact CA-C 3.49Å; G251-P682 WeakPolarHBondContact CA-O 3.43Å; G251-P682 WeakPolarHBondContact O-CB 3.45Å; P293-P682 HydrophobicContact CG-CB 3.95Å; A678-P682 WeakPolarHBondContact O-CA 3.32Å; A678-P682 VanDerWaalsContact O-CB 3.3Å; A678-P682 WeakPolarHBondContact O-CB 3.2Å; E680-P682 WeakPolarHBondContact O-CD 3.28Å; P682-D684 VanDerWaalsContact C-N 3.26Å; P682-D684 PolarHBondContact O-N 3.12Å; P682-H688 PolarHBondContact O-NE2 3.32Å
683	E	96.6	Very high	97.2	Very high	118 Å²	118	29.1 Å²	29.1	55%	0.551	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-14.2	176.7	-55.4	82.4	179.7	0	0	112.9	F681 L685	F681-E683 PolarHBondContact O-N 2.9Å; F681-E683 VanDerWaalsContact O-N 3.17Å; E683-L685 PolarHBondContact O-N 2.89Å
684	D	97.4	Very high	97.2	Very high	39 Å²	39	29.2 Å²	29.2	21%	0.209	15%	0.152	C	C	.	.			trans	-90.3	98.8	176	-173.2	-17.2	0	0	0	110.2	F681 P682 A686 T687 H688 Y716	F681-D684 HydrophobicContact CB-CB 4.24Å; F681-D684 WeakPolarHBondContact O-CB 3.47Å; F681-D684 PolarHBondContact O-N 2.86Å; P682-D684 VanDerWaalsContact C-N 3.26Å; P682-D684 PolarHBondContact O-N 3.12Å; D684-A686 PolarHBondContact O-N 3.31Å; D684-A686 VanDerWaalsContact O-N 3.1Å; D684-A686 PolarHBondContact OD1-N 3.18Å; D684-A686 VanDerWaalsContact OD1-N 3.17Å; D684-T687 HydrophobicContact CB-CG2 3.82Å; D684-T687 WeakPolarHBondContact O-CB 3.49Å; D684-T687 PolarHBondContact O-N 2.94Å; D684-T687 PolarHBondContact O-OG1 2.86Å; D684-H688 PolarHBondContact O-CD2 3.27Å; D684-Y716 PolarHBondContact OD1-OH 2.78Å; D684-Y716 VanDerWaalsContact OD1-OH 3.06Å; D684-Y716 WeakPolarHBondContact OD2-CE1 3.43Å; D684-Y716 PolarHBondContact OD2-OH 2.85Å
685	L	96.3	Very high	97.2	Very high	84 Å²	84	29.2 Å²	29.2	44%	0.44	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-54.7	-31.1	-176.3	179.3	59.2	0	0	0	114	Y249 E683 T687 H688	Y249-L685 HydrophobicContact CD1-CD1 3.12Å; Y249-L685 HydrophobicContact CD1-CG 4.43Å; Y249-L685 HydrophobicContact CE1-CD1 3.52Å; Y249-L685 HydrophobicContact CG-CD1 3.9Å; E683-L685 PolarHBondContact O-N 2.89Å; L685-T687 PolarHBondContact O-N 2.94Å; L685-H688 WeakPolarHBondContact O-CB 3.45Å; L685-H688 PolarHBondContact O-N 2.77Å
686	A	96.3	Very high	97.2	Very high	37 Å²	37	28.6 Å²	28.6	31%	0.306	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-67.1	-30.3	-179.4	0	0	0	0	0	111.7	D684 H688 Y716	D684-A686 PolarHBondContact O-N 3.31Å; D684-A686 VanDerWaalsContact O-N 3.1Å; D684-A686 PolarHBondContact OD1-N 3.18Å; D684-A686 VanDerWaalsContact OD1-N 3.17Å; A686-H688 PolarHBondContact O-N 2.78Å; A686-Y716 HydrophobicContact CB-CD2 4.13Å; A686-Y716 HydrophobicContact CB-CE1 4.03Å; A686-Y716 HydrophobicContact CB-CE2 3.44Å; A686-Y716 VanDerWaalsContact CB-CE2 3.44Å
687	T	97.7	Very high	97.2	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-68.6	-21.7	179.8	70.1	0	0	0	0	113.2	L677 A678 F681 D684 L685 K689 V690 Y716 P718	L677-T687 HydrophobicContact CB-CG2 4.08Å; A678-T687 WeakPolarHBondContact CA-OG1 3.39Å; F681-T687 HydrophobicContact CB-CG2 4.1Å; F681-T687 PolarHBondContact O-OG1 3.07Å; F681-T687 VanDerWaalsContact O-OG1 3.11Å; D684-T687 HydrophobicContact CB-CG2 3.82Å; D684-T687 WeakPolarHBondContact O-CB 3.49Å; D684-T687 PolarHBondContact O-N 2.94Å; D684-T687 PolarHBondContact O-OG1 2.86Å; L685-T687 PolarHBondContact O-N 2.94Å; T687-K689 PolarHBondContact O-N 3.17Å; T687-K689 VanDerWaalsContact O-N 3.13Å; T687-V690 PolarHBondContact O-N 3.03Å; T687-V690 VanDerWaalsContact O-N 3.14Å; T687-Y716 HydrophobicContact CG2-CD1 3.9Å; T687-Y716 HydrophobicContact CG2-CE1 3.63Å; T687-P718 HydrophobicContact CG2-CG 4.39Å
688	H	96.7	Very high	97.1	Very high	3 Å²	3	30.7 Å²	30.7	1%	0.014	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-61.9	-25	-176.8	-69.4	-161	0	0	0	112.5	V201 P213 K248 P682 D684 L685 A686	V201-H688 HydrophobicContact CG2-CB 4.11Å; P213-H688 WeakPolarHBondContact CG-O 3.21Å; K248-H688 PolarHBondContact O-CE1 2.82Å; K248-H688 VanDerWaalsContact O-CE1 3.29Å; P682-H688 PolarHBondContact O-NE2 3.32Å; D684-H688 PolarHBondContact O-CD2 3.27Å; L685-H688 WeakPolarHBondContact O-CB 3.45Å; L685-H688 PolarHBondContact O-N 2.77Å; A686-H688 PolarHBondContact O-N 2.78Å
689	K	94.2	Very high	97.1	Very high	148 Å²	148	31.1 Å²	31.1	64%	0.643	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-104.9	0.5	-178.1	-61.4	-177.3	-179.3	-178.9	0	113.7	T687 N691	T687-K689 PolarHBondContact O-N 3.17Å; T687-K689 VanDerWaalsContact O-N 3.13Å; K689-N691 PolarHBondContact O-N 2.87Å
690	V	96.5	Very high	97.2	Very high	5 Å²	5	31 Å²	31	3%	0.03	17%	0.166	C	C	.	.			trans	-76.1	122.6	-177.4	177.7	0	0	0	0	109.7	L677 T687 Q693 Y716 W737	L677-V690 HydrophobicContact CD1-CG1 4.27Å; L677-V690 HydrophobicContact CD2-CG1 4.15Å; T687-V690 PolarHBondContact O-N 3.03Å; T687-V690 VanDerWaalsContact O-N 3.14Å; V690-Q693 HydrophobicContact CG1-CB 3.79Å; V690-Q693 HydrophobicContact CG1-CG 4.26Å; V690-Y716 HydrophobicContact CG2-CG 4.37Å; V690-W737 HydrophobicContact CG2-CH2 4.19Å; V690-W737 HydrophobicContact CG2-CZ2 4.46Å
691	N	94.4	Very high	97.2	Very high	57 Å²	57	29.1 Å²	29.1	31%	0.305	16%	0.158	S	C	.	.			trans	-131.8	-4.9	-177.9	64.2	5.1	0	0	0	114.2	Y212 V579 K689	Y212-N691 HydrophobicContact CD1-CB 3.71Å; Y212-N691 VanDerWaalsContact O-CB 3.3Å; Y212-N691 WeakPolarHBondContact O-CB 3.46Å; Y212-N691 PolarHBondContact O-ND2 3.09Å; V579-N691 HydrophobicContact CG2-CB 4.36Å; K689-N691 PolarHBondContact O-N 2.87Å
692	A	96.9	Very high	97.3	Very high	34 Å²	34	28.2 Å²	28.2	28%	0.281	15%	0.154	S	C	.	.	S	Bend	trans	-106.7	10.7	179.4	0	0	0	0	0	112.7	P704 L706	A692-P704 WeakPolarHBondContact O-CD 3.3Å; A692-L706 HydrophobicContact CB-CD1 3.79Å
693	Q	98.3	Very high	97.3	Very high	3 Å²	3	28.1 Å²	28.1	1%	0.014	15%	0.153	C	C	.	.			trans	-143	157.1	177.9	-61.7	171	-84.4	0	0	108.9	L677 V690 L701 V702 T703 Y716	L677-Q693 HydrophobicContact CD1-CB 3.91Å; V690-Q693 HydrophobicContact CG1-CB 3.79Å; V690-Q693 HydrophobicContact CG1-CG 4.26Å; Q693-L701 HydrophobicContact CB-CD1 4.25Å; Q693-V702 WeakPolarHBondContact CA-O 3.26Å; Q693-V702 WeakPolarHBondContact CB-O 3.37Å; Q693-T703 HydrophobicContact CG-CG2 3.99Å; Q693-T703 PolarHBondContact NE2-OG1 2.87Å; Q693-Y716 PolarHBondContact NE2-O 2.84Å; Q693-Y716 PolarHBondContact OE1-O 2.71Å
694	F	98.5	Very high	97.4	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.009	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	158.5	170.8	66.5	-81.2	0	0	0	110.8	V578 I582 L614 F617 A674 L696 V702	V578-F694 HydrophobicContact CG1-CD1 4.05Å; I582-F694 HydrophobicContact CD1-CB 4.06Å; I582-F694 HydrophobicContact CG1-CB 4.22Å; L614-F694 HydrophobicContact CD1-CE1 3.67Å; L614-F694 HydrophobicContact CD1-CZ 4.36Å; F617-F694 HydrophobicContact CB-CE2 4.27Å; F617-F694 HydrophobicContact CB-CZ 3.66Å; A674-F694 HydrophobicContact CB-CD2 3.92Å; A674-F694 HydrophobicContact CB-CE2 4.17Å; F694-L696 HydrophobicContact CE2-CB 4.46Å; F694-V702 HydrophobicContact CD1-CB 4.06Å; F694-V702 HydrophobicContact CD1-CG1 4.47Å; F694-V702 HydrophobicContact CD2-CG2 4.38Å; F694-V702 HydrophobicContact CE1-CB 3.67Å; F694-V702 HydrophobicContact CE1-CG1 3.7Å; F694-V702 HydrophobicContact CE1-CG2 4.16Å; F694-V702 HydrophobicContact CE2-CB 4.23Å; F694-V702 HydrophobicContact CE2-CG2 3.83Å; F694-V702 HydrophobicContact CG-CB 4.5Å; F694-V702 HydrophobicContact CZ-CB 3.78Å; F694-V702 HydrophobicContact CZ-CG1 3.9Å; F694-V702 HydrophobicContact CZ-CG2 3.72Å; F694-V702 PolarHBondContact N-O 2.98Å; F694-V702 PolarHBondContact O-N 2.87Å
695	M	98.6	Very high	97.5	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	132.3	167.7	-64.2	-66.8	-61.5	0	0	108.9	A674 R675 L677 E680 F681 G697 S698 I700 L701 W722	A674-M695 CarbonylContact C-O 3.49Å; A674-M695 WeakPolarHBondContact CA-O 3.11Å; R675-M695 HydrophobicContact CG-CB 3.73Å; R675-M695 PolarHBondContact N-O 3.02Å; R675-M695 PolarHBondContact O-N 3.13Å; L677-M695 HydrophobicContact CD1-CG 4.22Å; L677-M695 HydrophobicContact CG-CG 4.23Å; E680-M695 HydrophobicContact CB-CG 4.4Å; F681-M695 HydrophobicContact CE2-CE 4.3Å; F681-M695 HydrophobicContact CE2-CG 4.24Å; F681-M695 HydrophobicContact CE2-SD 4.07Å; M695-G697 VanDerWaalsContact CB-O 3.32Å; M695-G697 WeakPolarHBondContact CB-O 3.29Å; M695-S698 WeakPolarHBondContact CE-O 3.46Å; M695-I700 CarbonylContact C-O 3.52Å; M695-I700 VanDerWaalsContact CA-O 3.3Å; M695-I700 WeakPolarHBondContact CA-O 3.38Å; M695-L701 HydrophobicContact SD-CB 3.66Å; M695-L701 HydrophobicContact SD-CD1 3.76Å; M695-L701 HydrophobicContact SD-CG 4.28Å; M695-W722 HydrophobicContact CE-CH2 4.17Å; M695-W722 HydrophobicContact CE-CZ3 4.32Å; M695-W722 HydrophobicContact SD-CH2 4.32Å
696	L	98.5	Very high	97.6	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	107.9	162.3	-177.4	70.1	0	0	0	106.9	F617 Y658 I659 L662 V673 F694 I700	F617-L696 HydrophobicContact CD1-CD2 4.34Å; Y658-L696 HydrophobicContact CD1-CD2 4.37Å; Y658-L696 HydrophobicContact CE1-CD2 4.34Å; Y658-L696 HydrophobicContact CE1-CG 4.13Å; Y658-L696 PolarHBondContact OH-O 2.76Å; I659-L696 HydrophobicContact CD1-CD2 4.23Å; I659-L696 HydrophobicContact CG1-CD1 4.44Å; I659-L696 HydrophobicContact CG1-CD2 3.86Å; L662-L696 HydrophobicContact CD1-CD1 3.93Å; L662-L696 HydrophobicContact CD1-CG 3.87Å; V673-L696 HydrophobicContact CG1-CD1 3.89Å; F694-L696 HydrophobicContact CE2-CB 4.46Å; L696-I700 HydrophobicContact CB-CB 4.16Å; L696-I700 HydrophobicContact CB-CG2 4.45Å; L696-I700 HydrophobicContact CD2-CD1 4.39Å; L696-I700 PolarHBondContact N-O 2.79Å; L696-I700 PolarHBondContact O-N 2.98Å
697	G	97.9	Very high	97.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	-141.3	-166.1	0	0	0	0	0	112	V673 R675 M695	V673-G697 PolarHBondContact O-N 2.86Å; R675-G697 WeakPolarHBondContact CD-O 3.22Å; M695-G697 VanDerWaalsContact CB-O 3.32Å; M695-G697 WeakPolarHBondContact CB-O 3.29Å
698	S	96.7	Very high	97.6	Very high	46 Å²	46	25.3 Å²	25.3	32%	0.322	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-5.6	178.2	56.1	0	0	0	0	114	Y658 E680 M695 R752	Y658-S698 PolarHBondContact OH-N 2.76Å; E680-S698 WeakPolarHBondContact OE1-CB 3.32Å; M695-S698 WeakPolarHBondContact CE-O 3.46Å; S698-R752 WeakPolarHBondContact O-CD 3.27Å
699	C	98	Very high	97.7	Very high	10 Å²	10	27.9 Å²	27.9	7%	0.068	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-31.1	-167.6	-68.9	0	0	0	0	114.7	Y658 I751 R752 C755 I757	Y658-C699 HydrophobicContact CE2-CB 4.38Å; Y658-C699 WeakPolarHBondContact OH-CB 3.48Å; Y658-C699 PolarHBondContact OH-N 3.23Å; C699-I751 CarbonylContact O-C 3.48Å; C699-I751 WeakPolarHBondContact O-CA 3.21Å; C699-R752 PolarHBondContact O-N 2.83Å; C699-C755 VanDerWaalsContact CA-SG 3.56Å; C699-C755 HydrophobicContact CB-CB 3.73Å; C699-C755 WeakPolarHBondContact CB-SG 3.11Å; C699-C755 WeakPolarHBondContact SG-CB 3.23Å; C699-C755 CovalentContact SG-SG 2.04Å; C699-C755 PolarHBondContact SG-SG 2.86Å; C699-I757 HydrophobicContact CB-CD1 4.43Å
700	I	98.5	Very high	97.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	117.4	-170	-59.9	179.3	0	0	0	109.3	L655 Y658 M695 L696 V702 I749 I751 I757	L655-I700 HydrophobicContact CD1-CD1 4.07Å; L655-I700 HydrophobicContact CD2-CD1 3.89Å; Y658-I700 HydrophobicContact CD1-CD1 3.74Å; Y658-I700 HydrophobicContact CE1-CD1 3.69Å; Y658-I700 HydrophobicContact CE1-CG1 4.06Å; M695-I700 CarbonylContact C-O 3.52Å; M695-I700 VanDerWaalsContact CA-O 3.3Å; M695-I700 WeakPolarHBondContact CA-O 3.38Å; L696-I700 HydrophobicContact CB-CB 4.16Å; L696-I700 HydrophobicContact CB-CG2 4.45Å; L696-I700 HydrophobicContact CD2-CD1 4.39Å; L696-I700 PolarHBondContact N-O 2.79Å; L696-I700 PolarHBondContact O-N 2.98Å; I700-V702 HydrophobicContact CG2-CG2 4.27Å; I700-I749 HydrophobicContact CG2-CG2 3.7Å; I700-I751 HydrophobicContact CG1-CG1 4.5Å; I700-I757 HydrophobicContact CD1-CD1 4.22Å; I700-I757 HydrophobicContact CG1-CD1 4.11Å
701	L	98.8	Very high	97.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.8	172.2	175	62.5	0	0	0	109.6	L677 Q693 M695 V717 W722 S750	L677-L701 HydrophobicContact CD1-CD1 3.8Å; L677-L701 HydrophobicContact CD2-CD1 3.98Å; L677-L701 HydrophobicContact CG-CD1 4.09Å; Q693-L701 HydrophobicContact CB-CD1 4.25Å; M695-L701 HydrophobicContact SD-CB 3.66Å; M695-L701 HydrophobicContact SD-CD1 3.76Å; M695-L701 HydrophobicContact SD-CG 4.28Å; L701-V717 HydrophobicContact CD2-CG1 4.44Å; L701-V717 HydrophobicContact CD2-CG2 4.45Å; L701-W722 HydrophobicContact CB-CH2 4.47Å; L701-W722 HydrophobicContact CB-CZ3 3.9Å; L701-S750 WeakPolarHBondContact CB-O 3.47Å; L701-S750 PolarHBondContact N-O 2.85Å; L701-S750 PolarHBondContact O-N 2.91Å
702	V	98.7	Very high	98	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122	178.8	-171.7	0	0	0	0	109.2	F617 Q693 F694 I700 I747 I749	F617-V702 HydrophobicContact CB-CG1 4.37Å; F617-V702 HydrophobicContact CB-CG2 4.21Å; F617-V702 HydrophobicContact CD1-CG2 3.82Å; F617-V702 HydrophobicContact CD2-CG1 4.17Å; F617-V702 HydrophobicContact CE1-CG2 4.41Å; F617-V702 HydrophobicContact CG-CG1 4.16Å; F617-V702 HydrophobicContact CG-CG2 4Å; Q693-V702 WeakPolarHBondContact CA-O 3.26Å; Q693-V702 WeakPolarHBondContact CB-O 3.37Å; F694-V702 HydrophobicContact CD1-CB 4.06Å; F694-V702 HydrophobicContact CD1-CG1 4.47Å; F694-V702 HydrophobicContact CD2-CG2 4.38Å; F694-V702 HydrophobicContact CE1-CB 3.67Å; F694-V702 HydrophobicContact CE1-CG1 3.7Å; F694-V702 HydrophobicContact CE1-CG2 4.16Å; F694-V702 HydrophobicContact CE2-CB 4.23Å; F694-V702 HydrophobicContact CE2-CG2 3.83Å; F694-V702 HydrophobicContact CG-CB 4.5Å; F694-V702 HydrophobicContact CZ-CB 3.78Å; F694-V702 HydrophobicContact CZ-CG1 3.9Å; F694-V702 HydrophobicContact CZ-CG2 3.72Å; F694-V702 PolarHBondContact N-O 2.98Å; F694-V702 PolarHBondContact O-N 2.87Å; I700-V702 HydrophobicContact CG2-CG2 4.27Å; V702-I747 HydrophobicContact CG1-CD1 3.88Å; V702-I749 HydrophobicContact CB-CD1 4.16Å; V702-I749 HydrophobicContact CG1-CD1 3.82Å; V702-I749 HydrophobicContact CG2-CD1 4.06Å
703	T	98.5	Very high	98	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	17%	0.172	C	C	.	.			trans	-124	79.1	-179.2	-52.2	0	0	0	0	110	Q693 V713 F740 P748	Q693-T703 HydrophobicContact CG-CG2 3.99Å; Q693-T703 PolarHBondContact NE2-OG1 2.87Å; T703-V713 HydrophobicContact CG2-CG1 3.91Å; T703-V713 HydrophobicContact CG2-CG2 4.23Å; T703-F740 HydrophobicContact CG2-CD2 4.25Å; T703-F740 HydrophobicContact CG2-CE2 4.44Å; T703-P748 PolarHBondContact N-O 2.91Å; T703-P748 VanDerWaalsContact N-O 3.07Å; T703-P748 WeakPolarHBondContact O-CD 3.43Å
704	P	98.5	Very high	98	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.019	19%	0.192	C	C	.	.			trans	-72.5	152.9	-175.5	32.9	-37.8	0	0	0	112.6	L614 A692 L706 I747	L614-P704 HydrophobicContact CB-CB 4.3Å; L614-P704 HydrophobicContact CD1-CB 4.06Å; L614-P704 HydrophobicContact CD1-CG 4.01Å; A692-P704 WeakPolarHBondContact O-CD 3.3Å; P704-L706 HydrophobicContact CB-CD2 3.89Å; P704-L706 HydrophobicContact CB-CG 4.29Å; P704-L706 HydrophobicContact CG-CD1 4.11Å; P704-L706 HydrophobicContact CG-CD2 3.73Å; P704-L706 HydrophobicContact CG-CG 3.91Å; P704-I747 HydrophobicContact CB-CD1 4.2Å
705	V	98.6	Very high	97.9	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.03	19%	0.191	C	C	.	.			trans	-78.4	125.1	162.6	171.9	0	0	0	0	108.1	R610 D707 R710 V713 A742	R610-V705 HydrophobicContact CG-CG1 4.47Å; V705-D707 WeakPolarHBondContact CG1-O 3.46Å; V705-R710 HydrophobicContact CG1-CB 3.69Å; V705-R710 HydrophobicContact CG1-CG 4.48Å; V705-V713 HydrophobicContact CG2-CB 4.05Å; V705-V713 HydrophobicContact CG2-CG1 4.29Å; V705-A742 HydrophobicContact CG2-CB 3.47Å; V705-A742 VanDerWaalsContact CG2-CB 3.47Å
706	L	98.2	Very high	97.9	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.042	19%	0.193	C	C	.	.			trans	-122.8	9.6	-174.4	-57.6	176	0	0	0	113.2	L574 K575 V578 L614 A692 P704	L574-L706 HydrophobicContact CD1-CD2 4.44Å; L574-L706 HydrophobicContact CD2-CD2 4.08Å; L574-L706 HydrophobicContact CG-CD2 3.85Å; K575-L706 HydrophobicContact CB-CB 4.39Å; K575-L706 HydrophobicContact CB-CD1 4.36Å; K575-L706 HydrophobicContact CG-CD1 4.07Å; V578-L706 HydrophobicContact CG2-CD1 4.43Å; L614-L706 HydrophobicContact CD2-CD2 4.08Å; A692-L706 HydrophobicContact CB-CD1 3.79Å; P704-L706 HydrophobicContact CB-CD2 3.89Å; P704-L706 HydrophobicContact CB-CG 4.29Å; P704-L706 HydrophobicContact CG-CD1 4.11Å; P704-L706 HydrophobicContact CG-CD2 3.73Å; P704-L706 HydrophobicContact CG-CG 3.91Å
707	D	97.4	Very high	97.9	Very high	87 Å²	87	35.7 Å²	35.7	47%	0.465	19%	0.193	S	C	.	.	S	Bend	trans	-131.3	146.4	178.3	-53.6	-80.9	0	0	0	110.1	V705 R710	V705-D707 WeakPolarHBondContact CG1-O 3.46Å; D707-R710 HydrophobicContact CB-CG 3.91Å; D707-R710 WeakPolarHBondContact O-CG 3.25Å
708	E	97.9	Very high	98	Very high	118 Å²	118	35.7 Å²	35.7	55%	0.551	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	144	-178.3	-163.2	166.7	-135.3	0	0	113.5	W571 R710	W571-E708 HydrophobicContact CD2-CB 4.15Å; W571-E708 HydrophobicContact CG-CB 4.48Å; W571-E708 VanDerWaalsContact CZ2-CA 3.46Å; W571-E708 HydrophobicContact CZ2-CB 3.75Å; W571-E708 HydrophobicContact CZ2-CG 3.79Å; E708-R710 PolarHBondContact O-N 2.65Å
709	G	97.8	Very high	98	Very high	56 Å²	56	37 Å²	37	58%	0.577	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.8	6.8	173.4	0	0	0	0	0	114.9	E606	E606-G709 VanDerWaalsContact OE1-CA 3.31Å; E606-G709 WeakPolarHBondContact OE1-CA 3.48Å; E606-G709 PolarHBondContact OE1-N 3.38Å; E606-G709 PolarHBondContact OE2-N 2.79Å
710	R	97.4	Very high	97.9	Very high	118 Å²	118	37.5 Å²	37.5	45%	0.445	21%	0.209	S	C	.	.			trans	-84.1	136.3	-176.1	-64.4	-63.2	-174	166.8	0.6	112.1	R610 V705 D707 E708	R610-R710 PolarHBondContact NH2-O 3.47Å; V705-R710 HydrophobicContact CG1-CB 3.69Å; V705-R710 HydrophobicContact CG1-CG 4.48Å; D707-R710 HydrophobicContact CB-CG 3.91Å; D707-R710 WeakPolarHBondContact O-CG 3.25Å; E708-R710 PolarHBondContact O-N 2.65Å
711	T	97	Very high	97.8	Very high	90 Å²	90	40.3 Å²	40.3	55%	0.552	22%	0.222	S	C	*	.	S	Bend	trans	-113.3	5.3	173.2	62.7	0	0	0	0	113.2	A742	T711-A742 CarbonylContact C-O 3.54Å; T711-A742 VanDerWaalsContact C-O 3.26Å; T711-A742 WeakPolarHBondContact CA-O 3.42Å; T711-A742 CarbonylContact O-C 3.57Å; T711-A742 WeakPolarHBondContact O-CA 3.32Å; T711-A742 PolarHBondContact O-N 2.91Å
712	F	97.2	Very high	97.7	Very high	83 Å²	83	40.3 Å²	40.3	36%	0.364	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	159.6	175.4	61.4	-93.4	0	0	0	108.7	Y739 F740	F712-Y739 AromaticContact CD2-CD1 3.72Å; F712-Y739 HydrophobicContact CD2-CD1 3.72Å; F712-Y739 HydrophobicContact CD2-CE1 4.08Å; F712-Y739 HydrophobicContact CE2-CD1 4.02Å; F712-Y739 AromaticContact CE2-CE1 3.92Å; F712-Y739 HydrophobicContact CE2-CE1 3.92Å; F712-F740 CarbonylContact C-O 3.47Å; F712-F740 WeakPolarHBondContact CA-O 3.48Å; F712-F740 WeakPolarHBondContact CB-O 3.32Å
713	V	97.6	Very high	97.6	Very high	23 Å²	23	40.4 Å²	40.4	14%	0.139	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143.2	176.6	61	0	0	0	0	110.6	T703 V705 Y739 F740 A742 P748	T703-V713 HydrophobicContact CG2-CG1 3.91Å; T703-V713 HydrophobicContact CG2-CG2 4.23Å; V705-V713 HydrophobicContact CG2-CB 4.05Å; V705-V713 HydrophobicContact CG2-CG1 4.29Å; V713-Y739 WeakPolarHBondContact O-CA 2.94Å; V713-F740 HydrophobicContact CG1-CB 4.29Å; V713-F740 PolarHBondContact N-O 2.67Å; V713-F740 PolarHBondContact O-N 2.89Å; V713-A742 HydrophobicContact CG1-CB 4.17Å; V713-P748 HydrophobicContact CG1-CB 4.49Å; V713-P748 HydrophobicContact CG1-CG 3.76Å
714	E	97.3	Very high	97.4	Very high	91 Å²	91	41.3 Å²	41.3	43%	0.425	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.9	170.8	-169.2	177.9	-137.1	0	0	109.5	W737 K738 Y739	E714-W737 HydrophobicContact CG-CB 4.12Å; E714-W737 HydrophobicContact CG-CE3 4.11Å; E714-K738 CarbonylContact C-O 3.55Å; E714-K738 WeakPolarHBondContact CA-O 3.17Å; E714-Y739 HydrophobicContact CB-CD1 4.22Å; E714-Y739 HydrophobicContact CB-CE1 3.93Å; E714-Y739 HydrophobicContact CG-CD2 4.49Å; E714-Y739 HydrophobicContact CG-CE1 4.35Å; E714-Y739 HydrophobicContact CG-CE2 4.11Å; E714-Y739 VanDerWaalsContact OE1-CE2 3.29Å; E714-Y739 WeakPolarHBondContact OE1-CE2 3.07Å; E714-Y739 PolarHBondContact OE1-OH 2.83Å
715	G	97.9	Very high	97.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	144.9	177.1	0	0	0	0	0	111.7	W737 K738	G715-W737 WeakPolarHBondContact O-CA 3.47Å; G715-K738 PolarHBondContact N-O 3.32Å; G715-K738 PolarHBondContact O-N 3.42Å
716	Y	98.5	Very high	96.7	Very high	9 Å²	9	46.8 Å²	46.8	4%	0.035	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.1	171	-168.8	-99.3	0	0	0	109.8	L677 D684 A686 T687 V690 Q693 P718 G735 W737	L677-Y716 HydrophobicContact CD2-CD1 4.41Å; D684-Y716 PolarHBondContact OD1-OH 2.78Å; D684-Y716 VanDerWaalsContact OD1-OH 3.06Å; D684-Y716 WeakPolarHBondContact OD2-CE1 3.43Å; D684-Y716 PolarHBondContact OD2-OH 2.85Å; A686-Y716 HydrophobicContact CB-CD2 4.13Å; A686-Y716 HydrophobicContact CB-CE1 4.03Å; A686-Y716 HydrophobicContact CB-CE2 3.44Å; A686-Y716 VanDerWaalsContact CB-CE2 3.44Å; T687-Y716 HydrophobicContact CG2-CD1 3.9Å; T687-Y716 HydrophobicContact CG2-CE1 3.63Å; V690-Y716 HydrophobicContact CG2-CG 4.37Å; Q693-Y716 PolarHBondContact NE2-O 2.84Å; Q693-Y716 PolarHBondContact OE1-O 2.71Å; Y716-P718 HydrophobicContact CD1-CG 4.47Å; Y716-P718 HydrophobicContact CE1-CG 4.46Å; Y716-G735 VanDerWaalsContact CE2-C 3.5Å; Y716-G735 WeakPolarHBondContact CE2-O 3.46Å; Y716-G735 WeakPolarHBondContact OH-CA 3.39Å; Y716-G735 PolarHBondContact OH-O 3.22Å; Y716-W737 AromaticContact CD2-CD1 3.88Å; Y716-W737 HydrophobicContact CD2-CD2 4Å; Y716-W737 AromaticContact CD2-CE2 3.83Å; Y716-W737 HydrophobicContact CD2-CG 4.03Å; Y716-W737 HydrophobicContact CD2-CZ2 4.41Å; Y716-W737 AromaticContact CD2-NE1 3.73Å; Y716-W737 VanDerWaalsContact N-CE3 3.32Å
717	V	98.4	Very high	96.3	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113.7	175.8	-172.1	0	0	0	0	108.5	L701 W722 Y731 S733 G735 T736 K738 F740	L701-V717 HydrophobicContact CD2-CG1 4.44Å; L701-V717 HydrophobicContact CD2-CG2 4.45Å; V717-W722 HydrophobicContact CG1-CD2 4.01Å; V717-W722 HydrophobicContact CG1-CG 3.92Å; V717-W722 HydrophobicContact CG1-CZ2 4.41Å; V717-Y731 HydrophobicContact CG1-CE2 4.1Å; V717-S733 PolarHBondContact O-OG 3.39Å; V717-G735 VanDerWaalsContact O-CA 3.29Å; V717-G735 WeakPolarHBondContact O-CA 3.49Å; V717-T736 PolarHBondContact N-O 3.21Å; V717-T736 PolarHBondContact O-N 3.17Å; V717-K738 HydrophobicContact CG2-CB 4.33Å; V717-K738 HydrophobicContact CG2-CD 4.24Å; V717-K738 HydrophobicContact CG2-CG 4.35Å; V717-F740 HydrophobicContact CG2-CE2 3.92Å; V717-F740 HydrophobicContact CG2-CZ 3.48Å; V717-F740 VanDerWaalsContact CG2-CZ 3.48Å
718	P	98.2	Very high	95.9	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	27%	0.267	C	S	.	.			trans	-56.6	156.6	177.5	-24.4	33.8	0	0	0	112.5	L677 F681 T687 Y716 G720 W722 S733	L677-P718 HydrophobicContact CD2-CG 4.18Å; F681-P718 HydrophobicContact CD1-CB 3.83Å; F681-P718 HydrophobicContact CD1-CG 4.34Å; F681-P718 HydrophobicContact CD2-CB 3.95Å; F681-P718 HydrophobicContact CD2-CG 3.53Å; F681-P718 HydrophobicContact CE1-CB 3.89Å; F681-P718 HydrophobicContact CE1-CG 4.36Å; F681-P718 HydrophobicContact CE2-CB 4.05Å; F681-P718 HydrophobicContact CE2-CG 3.59Å; F681-P718 HydrophobicContact CG-CB 3.85Å; F681-P718 HydrophobicContact CG-CG 3.94Å; F681-P718 HydrophobicContact CZ-CB 4.01Å; F681-P718 HydrophobicContact CZ-CG 4.02Å; T687-P718 HydrophobicContact CG2-CG 4.39Å; Y716-P718 HydrophobicContact CD1-CG 4.47Å; Y716-P718 HydrophobicContact CE1-CG 4.46Å; P718-G720 PolarHBondContact O-N 2.85Å; P718-W722 HydrophobicContact CB-CZ2 4.13Å; P718-W722 HydrophobicContact CG-CZ2 4.24Å; P718-W722 PolarHBondContact O-NE1 2.98Å; P718-S733 WeakPolarHBondContact O-CB 3.14Å
719	S	97.3	Very high	95.6	Very high	72 Å²	72	46.5 Å²	46.5	50%	0.503	27%	0.268	S	S	.	.	S	Bend	trans	-58.4	132.9	-179	-170.4	0	0	0	0	111.9	S733	S719-S733 WeakPolarHBondContact CA-O 3.41Å
720	G	95.8	Very high	95.4	Very high	22 Å²	22	46 Å²	46	23%	0.227	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.2	-179.5	-178.8	0	0	0	0	0	113.7	P718 W722 F732 S733	P718-G720 PolarHBondContact O-N 2.85Å; G720-W722 VanDerWaalsContact O-CD1 3.23Å; G720-F732 WeakPolarHBondContact O-CD2 3.32Å; G720-S733 PolarHBondContact N-O 3Å; G720-S733 PolarHBondContact O-N 2.72Å
721	E	96.2	Very high	95.3	Very high	59 Å²	59	42.4 Å²	42.4	28%	0.276	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	139.4	173	-69	-169.9	-175.7	0	0	111.1	R730 F732 C753	E721-R730 WeakPolarHBondContact OE2-CD 3.36Å; E721-R730 IonicContact OE2-CZ 3.72Å; E721-R730 IonicContact OE2-NE 3.15Å; E721-R730 IonicContact OE2-NH1 3.24Å; E721-R730 PolarHBondContact OE2-NH1 3.4Å; E721-F732 HydrophobicContact CG-CD2 3.71Å; E721-C753 HydrophobicContact CB-CB 3.72Å; E721-C753 VanDerWaalsContact O-CB 3.25Å; E721-C753 WeakPolarHBondContact O-CB 3.43Å; E721-C753 PolarHBondContact O-N 3.14Å; E721-C753 PolarHBondContact O-SG 3.08Å; E721-C753 VanDerWaalsContact O-SG 3.41Å
722	W	97.2	Very high	95.2	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	151.6	-175	-60.8	86.1	0	0	0	110.1	F681 M695 L701 V717 P718 G720 R730 Y731 I751 R752	F681-W722 HydrophobicContact CE2-CH2 4.46Å; F681-W722 AromaticContact CZ-CH2 3.97Å; F681-W722 HydrophobicContact CZ-CH2 3.97Å; F681-W722 HydrophobicContact CZ-CZ2 4.13Å; M695-W722 HydrophobicContact CE-CH2 4.17Å; M695-W722 HydrophobicContact CE-CZ3 4.32Å; M695-W722 HydrophobicContact SD-CH2 4.32Å; L701-W722 HydrophobicContact CB-CH2 4.47Å; L701-W722 HydrophobicContact CB-CZ3 3.9Å; V717-W722 HydrophobicContact CG1-CD2 4.01Å; V717-W722 HydrophobicContact CG1-CG 3.92Å; V717-W722 HydrophobicContact CG1-CZ2 4.41Å; P718-W722 HydrophobicContact CB-CZ2 4.13Å; P718-W722 HydrophobicContact CG-CZ2 4.24Å; P718-W722 PolarHBondContact O-NE1 2.98Å; G720-W722 VanDerWaalsContact O-CD1 3.23Å; W722-R730 CarbonylContact O-C 3.53Å; W722-R730 WeakPolarHBondContact O-CA 3.47Å; W722-Y731 HydrophobicContact CB-CD1 4.33Å; W722-Y731 HydrophobicContact CB-CD2 4.43Å; W722-Y731 HydrophobicContact CB-CE1 3.72Å; W722-Y731 HydrophobicContact CB-CE2 3.88Å; W722-Y731 VanDerWaalsContact CB-CZ 3.48Å; W722-Y731 HydrophobicContact CG-CE2 4.33Å; W722-Y731 PolarHBondContact N-O 2.78Å; W722-Y731 PolarHBondContact O-N 3.3Å; W722-I751 CarbonylContact C-O 3.6Å; W722-I751 VanDerWaalsContact CA-O 3.29Å; W722-I751 WeakPolarHBondContact CA-O 3.49Å; W722-R752 HydrophobicContact CE3-CB 3.96Å; W722-R752 HydrophobicContact CH2-CB 4.08Å; W722-R752 HydrophobicContact CH2-CG 4.17Å; W722-R752 HydrophobicContact CZ2-CG 4.43Å; W722-R752 HydrophobicContact CZ3-CB 3.66Å; W722-R752 HydrophobicContact CZ3-CG 4.22Å
723	I	96.3	Very high	95.2	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.1	168.9	-57.8	-57.6	0	0	0	107.9	L725 R730 S750 I751 I779 V852	I723-L725 PolarHBondContact O-N 3.11Å; I723-R730 HydrophobicContact CD1-CB 3.5Å; I723-R730 HydrophobicContact CD1-CG 3.9Å; I723-S750 CarbonylContact O-C 3.51Å; I723-S750 VanDerWaalsContact O-CA 3.31Å; I723-S750 WeakPolarHBondContact O-CA 3.46Å; I723-I751 PolarHBondContact N-O 2.96Å; I723-I751 PolarHBondContact O-N 2.88Å; I723-I779 HydrophobicContact CD1-CG2 4.29Å; I723-I779 HydrophobicContact CG1-CG2 3.58Å; I723-V852 HydrophobicContact CD1-CG1 3.86Å; I723-V852 HydrophobicContact CG1-CG1 4.33Å
724	N	94.9	Very high	95.2	Very high	20 Å²	20	48.5 Å²	48.5	11%	0.107	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	118.5	167	171.8	-70.9	0	0	0	108.1	S726 S727 G728 K729 Y731	N724-S726 PolarHBondContact O-N 2.97Å; N724-S726 PolarHBondContact OD1-N 2.84Å; N724-S726 PolarHBondContact OD1-OG 3.12Å; N724-S727 WeakPolarHBondContact CB-OG 3.25Å; N724-S727 VanDerWaalsContact CG-OG 3.32Å; N724-S727 WeakPolarHBondContact OD1-CB 3.34Å; N724-S727 PolarHBondContact OD1-N 3.1Å; N724-S727 PolarHBondContact OD1-OG 3.2Å; N724-G728 VanDerWaalsContact O-CA 3.29Å; N724-G728 WeakPolarHBondContact O-CA 3.37Å; N724-G728 PolarHBondContact O-N 2.8Å; N724-K729 PolarHBondContact N-O 3.26Å; N724-Y731 HydrophobicContact CB-CD1 4.2Å; N724-Y731 HydrophobicContact CB-CE1 3.88Å
725	L	93.7	Very high	95.2	Very high	51 Å²	51	44.9 Å²	44.9	27%	0.267	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-34.6	-170.5	-176.4	58.5	0	0	0	113.1	L651 I723 I749 I751	L651-L725 HydrophobicContact CD1-CD2 3.9Å; L651-L725 HydrophobicContact CD2-CD2 4.07Å; I723-L725 PolarHBondContact O-N 3.11Å; L725-I749 HydrophobicContact CB-CB 4Å; L725-I749 HydrophobicContact CB-CG2 4.19Å; L725-I749 HydrophobicContact CD2-CB 4.14Å; L725-I749 HydrophobicContact CD2-CG2 3.95Å; L725-I749 PolarHBondContact N-O 3.16Å; L725-I751 HydrophobicContact CB-CD1 4.42Å; L725-I751 HydrophobicContact CD1-CD1 3.81Å; L725-I751 HydrophobicContact CD2-CD1 4.34Å; L725-I751 HydrophobicContact CG-CD1 4.41Å
726	S	88.7	Confident	95.1	Very high	72 Å²	72	47.8 Å²	47.8	50%	0.503	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-35.4	-178	55.5	0	0	0	0	112.7	N724	N724-S726 PolarHBondContact O-N 2.97Å; N724-S726 PolarHBondContact OD1-N 2.84Å; N724-S726 PolarHBondContact OD1-OG 3.12Å
727	S	89.5	Confident	95.1	Very high	54 Å²	54	53.5 Å²	53.5	38%	0.378	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-16.5	176.9	64.2	0	0	0	0	114.2	N724 K729 L876	N724-S727 WeakPolarHBondContact CB-OG 3.25Å; N724-S727 VanDerWaalsContact CG-OG 3.32Å; N724-S727 WeakPolarHBondContact OD1-CB 3.34Å; N724-S727 PolarHBondContact OD1-N 3.1Å; N724-S727 PolarHBondContact OD1-OG 3.2Å; S727-K729 PolarHBondContact O-N 3.2Å; S727-K729 PolarHBondContact OG-N 3.25Å; S727-L876 WeakPolarHBondContact O-CD2 3.41Å
728	G	89.2	Confident	94.9	Very high	23 Å²	23	56 Å²	56	24%	0.237	28%	0.284	C	S	.	.			trans	68.8	1.1	-170.6	0	0	0	0	0	114.7	N724	N724-G728 VanDerWaalsContact O-CA 3.29Å; N724-G728 WeakPolarHBondContact O-CA 3.37Å; N724-G728 PolarHBondContact O-N 2.8Å
729	K	91.3	Very high	94.8	Very high	131 Å²	131	63.1 Å²	63.1	57%	0.57	31%	0.312	S	S	*	.			trans	-85.6	137.5	-171.7	-67.9	-173	176.7	-178	0	112.7	N724 S727	N724-K729 PolarHBondContact N-O 3.26Å; S727-K729 PolarHBondContact O-N 3.2Å; S727-K729 PolarHBondContact OG-N 3.25Å
730	R	94	Very high	94.8	Very high	46 Å²	46	60.3 Å²	60.3	17%	0.174	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	140.9	168.9	-174.2	176.9	-73.1	-112.3	-3.8	111	E721 W722 I723 C753 L780	E721-R730 WeakPolarHBondContact OE2-CD 3.36Å; E721-R730 IonicContact OE2-CZ 3.72Å; E721-R730 IonicContact OE2-NE 3.15Å; E721-R730 IonicContact OE2-NH1 3.24Å; E721-R730 PolarHBondContact OE2-NH1 3.4Å; W722-R730 CarbonylContact O-C 3.53Å; W722-R730 WeakPolarHBondContact O-CA 3.47Å; I723-R730 HydrophobicContact CD1-CB 3.5Å; I723-R730 HydrophobicContact CD1-CG 3.9Å; R730-C753 VanDerWaalsContact CZ-SG 3.52Å; R730-C753 PolarHBondContact NH1-SG 2.57Å; R730-C753 VanDerWaalsContact NH1-SG 3.39Å; R730-L780 PolarHBondContact NH1-O 3Å; R730-L780 PolarHBondContact NH2-O 3.22Å
731	Y	94.8	Very high	94.8	Very high	42 Å²	42	65.8 Å²	65.8	17%	0.165	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	153.6	171.6	69.7	-88.5	0	0	0	111.4	V717 W722 N724 K738 S750	V717-Y731 HydrophobicContact CG1-CE2 4.1Å; W722-Y731 HydrophobicContact CB-CD1 4.33Å; W722-Y731 HydrophobicContact CB-CD2 4.43Å; W722-Y731 HydrophobicContact CB-CE1 3.72Å; W722-Y731 HydrophobicContact CB-CE2 3.88Å; W722-Y731 VanDerWaalsContact CB-CZ 3.48Å; W722-Y731 HydrophobicContact CG-CE2 4.33Å; W722-Y731 PolarHBondContact N-O 2.78Å; W722-Y731 PolarHBondContact O-N 3.3Å; N724-Y731 HydrophobicContact CB-CD1 4.2Å; N724-Y731 HydrophobicContact CB-CE1 3.88Å; Y731-K738 HydrophobicContact CD2-CD 4.5Å; Y731-K738 VanDerWaalsContact CD2-NZ 3.35Å; Y731-K738 HydrophobicContact CE2-CD 4.19Å; Y731-S750 VanDerWaalsContact OH-CB 3.25Å; Y731-S750 WeakPolarHBondContact OH-CB 3.39Å; Y731-S750 PolarHBondContact OH-OG 2.88Å
732	F	95.5	Very high	94.8	Very high	111 Å²	111	63 Å²	63	49%	0.487	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	140.4	173.9	-174.8	-106	0	0	0	110.9	G720 E721 R734 K738	G720-F732 WeakPolarHBondContact O-CD2 3.32Å; E721-F732 HydrophobicContact CG-CD2 3.71Å; F732-R734 HydrophobicContact CD1-CG 4.12Å; F732-R734 HydrophobicContact CE1-CG 3.63Å; F732-K738 PolarHBondContact O-NZ 2.73Å
733	S	97.2	Very high	94.8	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.007	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.8	167.2	-172.9	0	0	0	0	110.2	V717 P718 S719 G720 G735	V717-S733 PolarHBondContact O-OG 3.39Å; P718-S733 WeakPolarHBondContact O-CB 3.14Å; S719-S733 WeakPolarHBondContact CA-O 3.41Å; G720-S733 PolarHBondContact N-O 3Å; G720-S733 PolarHBondContact O-N 2.72Å; S733-G735 VanDerWaalsContact C-N 3.34Å; S733-G735 PolarHBondContact OG-N 2.73Å
734	R	96.6	Very high	94.7	Very high	211 Å²	211	68.7 Å²	68.7	80%	0.796	34%	0.335	S	S	*	.	S	Bend	trans	-94.5	12.7	173.2	-71.7	-179.8	-177.4	-161.9	2.4	112.7	F732 T736	F732-R734 HydrophobicContact CD1-CG 4.12Å; F732-R734 HydrophobicContact CE1-CG 3.63Å; R734-T736 HydrophobicContact CB-CG2 4.19Å
735	G	97.4	Very high	94.6	Very high	16 Å²	16	72.6 Å²	72.6	17%	0.165	36%	0.356	C	S	.	.	S	Bend	trans	79.8	61.5	-166.7	0	0	0	0	0	110.5	Y716 V717 S733	Y716-G735 VanDerWaalsContact CE2-C 3.5Å; Y716-G735 WeakPolarHBondContact CE2-O 3.46Å; Y716-G735 WeakPolarHBondContact OH-CA 3.39Å; Y716-G735 PolarHBondContact OH-O 3.22Å; V717-G735 VanDerWaalsContact O-CA 3.29Å; V717-G735 WeakPolarHBondContact O-CA 3.49Å; S733-G735 VanDerWaalsContact C-N 3.34Å; S733-G735 PolarHBondContact OG-N 2.73Å
736	T	96.8	Very high	94.7	Very high	60 Å²	60	71.8 Å²	71.8	37%	0.368	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	155.6	-174.2	61.4	0	0	0	0	111.6	V717 R734	V717-T736 PolarHBondContact N-O 3.21Å; V717-T736 PolarHBondContact O-N 3.17Å; R734-T736 HydrophobicContact CB-CG2 4.19Å
737	W	97.5	Very high	95.1	Very high	129 Å²	129	69 Å²	69	49%	0.489	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	138.1	163.8	-62.6	93.5	0	0	0	110.1	V690 E714 G715 Y716	V690-W737 HydrophobicContact CG2-CH2 4.19Å; V690-W737 HydrophobicContact CG2-CZ2 4.46Å; E714-W737 HydrophobicContact CG-CB 4.12Å; E714-W737 HydrophobicContact CG-CE3 4.11Å; G715-W737 WeakPolarHBondContact O-CA 3.47Å; Y716-W737 AromaticContact CD2-CD1 3.88Å; Y716-W737 HydrophobicContact CD2-CD2 4Å; Y716-W737 AromaticContact CD2-CE2 3.83Å; Y716-W737 HydrophobicContact CD2-CG 4.03Å; Y716-W737 HydrophobicContact CD2-CZ2 4.41Å; Y716-W737 AromaticContact CD2-NE1 3.73Å; Y716-W737 VanDerWaalsContact N-CE3 3.32Å
738	K	95.7	Very high	95.4	Very high	54 Å²	54	66.5 Å²	66.5	24%	0.235	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	145.5	179.7	-68.1	-164.2	175.8	-158	0	110.3	E714 G715 V717 Y731 F732 F740	E714-K738 CarbonylContact C-O 3.55Å; E714-K738 WeakPolarHBondContact CA-O 3.17Å; G715-K738 PolarHBondContact N-O 3.32Å; G715-K738 PolarHBondContact O-N 3.42Å; V717-K738 HydrophobicContact CG2-CB 4.33Å; V717-K738 HydrophobicContact CG2-CD 4.24Å; V717-K738 HydrophobicContact CG2-CG 4.35Å; Y731-K738 HydrophobicContact CD2-CD 4.5Å; Y731-K738 VanDerWaalsContact CD2-NZ 3.35Å; Y731-K738 HydrophobicContact CE2-CD 4.19Å; F732-K738 PolarHBondContact O-NZ 2.73Å; K738-F740 HydrophobicContact CB-CE2 4.13Å; K738-F740 HydrophobicContact CB-CZ 4.3Å
739	Y	95.9	Very high	95.8	Very high	149 Å²	149	65.5 Å²	65.5	58%	0.584	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	134.7	170.5	-72	-92.7	0	0	0	110	F712 V713 E714	F712-Y739 AromaticContact CD2-CD1 3.72Å; F712-Y739 HydrophobicContact CD2-CD1 3.72Å; F712-Y739 HydrophobicContact CD2-CE1 4.08Å; F712-Y739 HydrophobicContact CE2-CD1 4.02Å; F712-Y739 AromaticContact CE2-CE1 3.92Å; F712-Y739 HydrophobicContact CE2-CE1 3.92Å; V713-Y739 WeakPolarHBondContact O-CA 2.94Å; E714-Y739 HydrophobicContact CB-CD1 4.22Å; E714-Y739 HydrophobicContact CB-CE1 3.93Å; E714-Y739 HydrophobicContact CG-CD2 4.49Å; E714-Y739 HydrophobicContact CG-CE1 4.35Å; E714-Y739 HydrophobicContact CG-CE2 4.11Å; E714-Y739 VanDerWaalsContact OE1-CE2 3.29Å; E714-Y739 WeakPolarHBondContact OE1-CE2 3.07Å; E714-Y739 PolarHBondContact OE1-OH 2.83Å
740	F	96.3	Very high	96.2	Very high	13 Å²	13	59.2 Å²	59.2	6%	0.057	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.6	174.6	-62.4	-85.1	0	0	0	109.5	T703 F712 V713 V717 K738 A742 P748	T703-F740 HydrophobicContact CG2-CD2 4.25Å; T703-F740 HydrophobicContact CG2-CE2 4.44Å; F712-F740 CarbonylContact C-O 3.47Å; F712-F740 WeakPolarHBondContact CA-O 3.48Å; F712-F740 WeakPolarHBondContact CB-O 3.32Å; V713-F740 HydrophobicContact CG1-CB 4.29Å; V713-F740 PolarHBondContact N-O 2.67Å; V713-F740 PolarHBondContact O-N 2.89Å; V717-F740 HydrophobicContact CG2-CE2 3.92Å; V717-F740 HydrophobicContact CG2-CZ 3.48Å; V717-F740 VanDerWaalsContact CG2-CZ 3.48Å; K738-F740 HydrophobicContact CB-CE2 4.13Å; K738-F740 HydrophobicContact CB-CZ 4.3Å; F740-A742 PolarHBondContact O-N 2.94Å; F740-P748 HydrophobicContact CB-CB 3.76Å; F740-P748 HydrophobicContact CB-CG 3.75Å; F740-P748 HydrophobicContact CD1-CB 4.42Å; F740-P748 HydrophobicContact CG-CB 4.06Å
741	D	96.2	Very high	96.4	Very high	138 Å²	138	57.2 Å²	57.2	74%	0.738	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	126.7	167.2	-66.4	-35.5	0	0	0	109
742	A	97.1	Very high	96.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.276	C	S	.	.			trans	-140.3	61.2	-176.7	0	0	0	0	0	109.6	R610 V705 T711 V713 F740 P748	R610-A742 PolarHBondContact NH2-O 3.23Å; V705-A742 HydrophobicContact CG2-CB 3.47Å; V705-A742 VanDerWaalsContact CG2-CB 3.47Å; T711-A742 CarbonylContact C-O 3.54Å; T711-A742 VanDerWaalsContact C-O 3.26Å; T711-A742 WeakPolarHBondContact CA-O 3.42Å; T711-A742 CarbonylContact O-C 3.57Å; T711-A742 WeakPolarHBondContact O-CA 3.32Å; T711-A742 PolarHBondContact O-N 2.91Å; V713-A742 HydrophobicContact CG1-CB 4.17Å; F740-A742 PolarHBondContact O-N 2.94Å; A742-P748 HydrophobicContact CB-CG 3.63Å
743	P	96	Very high	96.6	Very high	53 Å²	53	54.7 Å²	54.7	34%	0.344	26%	0.258	S	S	.	.			trans	-54.8	164.7	170.7	27	-35.7	0	0	0	110.4	R610 N745 V746	R610-P743 PolarHBondContact NH1-O 3.29Å; R610-P743 VanDerWaalsContact NH1-O 3.1Å; P743-N745 PolarHBondContact O-N 3.38Å; P743-V746 HydrophobicContact CG-CB 3.94Å; P743-V746 HydrophobicContact CG-CG2 3.81Å; P743-V746 PolarHBondContact O-N 2.84Å
744	L	95.1	Very high	96.7	Very high	69 Å²	69	55.3 Å²	55.3	36%	0.361	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24	-168.8	-171.3	55.8	0	0	0	114	E606 I609 R610 Q613	E606-L744 HydrophobicContact CG-CD1 3.83Å; I609-L744 HydrophobicContact CB-CD1 4.16Å; I609-L744 HydrophobicContact CD1-CD1 4.15Å; I609-L744 HydrophobicContact CD1-CD2 3.7Å; I609-L744 HydrophobicContact CD1-CG 3.82Å; I609-L744 HydrophobicContact CG2-CD1 3.9Å; I609-L744 HydrophobicContact CG2-CG 4.08Å; I609-L744 WeakPolarHBondContact CG2-O 3.46Å; R610-L744 HydrophobicContact CG-CD1 4.43Å; Q613-L744 PolarHBondContact NE2-O 3.11Å
745	N	93.3	Very high	96.7	Very high	102 Å²	102	45.7 Å²	45.7	55%	0.545	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	6.2	177.7	68.6	-35.4	0	0	0	115.2	A644 P743	A644-N745 HydrophobicContact CB-CB 4.03Å; P743-N745 PolarHBondContact O-N 3.38Å
746	V	94.3	Very high	96.8	Very high	33 Å²	33	45.1 Å²	45.1	20%	0.2	22%	0.223	C	C	.	.			trans	-128.6	128.6	-176.8	175.1	0	0	0	0	110.8	R610 P743	R610-V746 PolarHBondContact NH1-O 2.98Å; P743-V746 HydrophobicContact CG-CB 3.94Å; P743-V746 HydrophobicContact CG-CG2 3.81Å; P743-V746 PolarHBondContact O-N 2.84Å
747	I	96.8	Very high	96.9	Very high	15 Å²	15	42.2 Å²	42.2	8%	0.077	21%	0.205	C	C	.	.			trans	-99.6	123.4	160.9	-178.7	166.1	0	0	0	109.6	Q613 F617 V702 P704 I749	Q613-I747 HydrophobicContact CB-CB 4.01Å; Q613-I747 HydrophobicContact CB-CD1 4.18Å; Q613-I747 HydrophobicContact CB-CG2 4.34Å; Q613-I747 HydrophobicContact CG-CB 4.18Å; Q613-I747 HydrophobicContact CG-CG2 4.35Å; Q613-I747 WeakPolarHBondContact O-CD1 3.4Å; F617-I747 HydrophobicContact CD2-CD1 4.08Å; F617-I747 HydrophobicContact CE2-CD1 4Å; F617-I747 HydrophobicContact CE2-CG2 3.94Å; V702-I747 HydrophobicContact CG1-CD1 3.88Å; P704-I747 HydrophobicContact CB-CD1 4.2Å; I747-I749 HydrophobicContact CD1-CD1 4.37Å; I747-I749 HydrophobicContact CG1-CD1 4.12Å; I747-I749 HydrophobicContact CG2-CD1 4.43Å; I747-I749 HydrophobicContact CG2-CG1 4.3Å; I747-I749 PolarHBondContact O-N 2.95Å
748	P	97.2	Very high	96.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.			trans	-64.8	117.9	175	-26.8	36.6	0	0	0	112.6	T703 V713 F740 A742	T703-P748 PolarHBondContact N-O 2.91Å; T703-P748 VanDerWaalsContact N-O 3.07Å; T703-P748 WeakPolarHBondContact O-CD 3.43Å; V713-P748 HydrophobicContact CG1-CB 4.49Å; V713-P748 HydrophobicContact CG1-CG 3.76Å; F740-P748 HydrophobicContact CB-CB 3.76Å; F740-P748 HydrophobicContact CB-CG 3.75Å; F740-P748 HydrophobicContact CD1-CB 4.42Å; F740-P748 HydrophobicContact CG-CB 4.06Å; A742-P748 HydrophobicContact CB-CG 3.63Å
749	I	98.1	Very high	96.9	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.9	175.5	-56.3	-61.2	0	0	0	108.9	F617 I700 V702 L725 I747 I751	F617-I749 HydrophobicContact CD1-CD1 4.42Å; F617-I749 HydrophobicContact CD2-CD1 4.41Å; F617-I749 HydrophobicContact CE1-CD1 3.73Å; F617-I749 HydrophobicContact CE1-CG1 4.26Å; F617-I749 HydrophobicContact CE2-CD1 3.74Å; F617-I749 HydrophobicContact CE2-CG1 4.34Å; F617-I749 HydrophobicContact CZ-CD1 3.35Å; F617-I749 HydrophobicContact CZ-CG1 3.69Å; I700-I749 HydrophobicContact CG2-CG2 3.7Å; V702-I749 HydrophobicContact CB-CD1 4.16Å; V702-I749 HydrophobicContact CG1-CD1 3.82Å; V702-I749 HydrophobicContact CG2-CD1 4.06Å; L725-I749 HydrophobicContact CB-CB 4Å; L725-I749 HydrophobicContact CB-CG2 4.19Å; L725-I749 HydrophobicContact CD2-CB 4.14Å; L725-I749 HydrophobicContact CD2-CG2 3.95Å; L725-I749 PolarHBondContact N-O 3.16Å; I747-I749 HydrophobicContact CD1-CD1 4.37Å; I747-I749 HydrophobicContact CG1-CD1 4.12Å; I747-I749 HydrophobicContact CG2-CD1 4.43Å; I747-I749 HydrophobicContact CG2-CG1 4.3Å; I747-I749 PolarHBondContact O-N 2.95Å; I749-I751 HydrophobicContact CG2-CG1 4.5Å
750	S	98.3	Very high	96.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.7	176.5	-54.9	0	0	0	0	110.1	L701 I723 Y731	L701-S750 WeakPolarHBondContact CB-O 3.47Å; L701-S750 PolarHBondContact N-O 2.85Å; L701-S750 PolarHBondContact O-N 2.91Å; I723-S750 CarbonylContact O-C 3.51Å; I723-S750 VanDerWaalsContact O-CA 3.31Å; I723-S750 WeakPolarHBondContact O-CA 3.46Å; Y731-S750 VanDerWaalsContact OH-CB 3.25Å; Y731-S750 WeakPolarHBondContact OH-CB 3.39Å; Y731-S750 PolarHBondContact OH-OG 2.88Å
751	I	98.1	Very high	96.3	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.6	179.6	-55.6	170.3	0	0	0	109.3	C699 I700 W722 I723 L725 I749 C753 I757 F777 I779	C699-I751 CarbonylContact O-C 3.48Å; C699-I751 WeakPolarHBondContact O-CA 3.21Å; I700-I751 HydrophobicContact CG1-CG1 4.5Å; W722-I751 CarbonylContact C-O 3.6Å; W722-I751 VanDerWaalsContact CA-O 3.29Å; W722-I751 WeakPolarHBondContact CA-O 3.49Å; I723-I751 PolarHBondContact N-O 2.96Å; I723-I751 PolarHBondContact O-N 2.88Å; L725-I751 HydrophobicContact CB-CD1 4.42Å; L725-I751 HydrophobicContact CD1-CD1 3.81Å; L725-I751 HydrophobicContact CD2-CD1 4.34Å; L725-I751 HydrophobicContact CG-CD1 4.41Å; I749-I751 HydrophobicContact CG2-CG1 4.5Å; I751-C753 PolarHBondContact O-N 3.35Å; I751-I757 HydrophobicContact CD1-CD1 4.21Å; I751-I757 HydrophobicContact CG2-CD1 3.54Å; I751-F777 HydrophobicContact CD1-CD1 4.22Å; I751-F777 HydrophobicContact CD1-CE1 3.75Å; I751-I779 HydrophobicContact CB-CD1 3.93Å; I751-I779 HydrophobicContact CD1-CD1 4.34Å; I751-I779 HydrophobicContact CG2-CD1 3.23Å
752	R	98	Very high	96.1	Very high	84 Å²	84	25.2 Å²	25.2	32%	0.317	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	129.9	178.6	-165.9	177.9	-176.4	174.3	1.9	110.2	E680 S698 C699 W722 C755	E680-R752 IonicContact OE1-NH1 3.61Å; E680-R752 PolarHBondContact OE1-NH1 2.9Å; S698-R752 WeakPolarHBondContact O-CD 3.27Å; C699-R752 PolarHBondContact O-N 2.83Å; W722-R752 HydrophobicContact CE3-CB 3.96Å; W722-R752 HydrophobicContact CH2-CB 4.08Å; W722-R752 HydrophobicContact CH2-CG 4.17Å; W722-R752 HydrophobicContact CZ2-CG 4.43Å; W722-R752 HydrophobicContact CZ3-CB 3.66Å; W722-R752 HydrophobicContact CZ3-CG 4.22Å; R752-C755 WeakPolarHBondContact O-CB 3.45Å
753	C	97.9	Very high	96	Very high	16 Å²	16	25.6 Å²	25.6	11%	0.108	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	143.6	174.1	-69.1	0	0	0	0	110.7	E721 R730 I751 I779 L780	E721-C753 HydrophobicContact CB-CB 3.72Å; E721-C753 VanDerWaalsContact O-CB 3.25Å; E721-C753 WeakPolarHBondContact O-CB 3.43Å; E721-C753 PolarHBondContact O-N 3.14Å; E721-C753 PolarHBondContact O-SG 3.08Å; E721-C753 VanDerWaalsContact O-SG 3.41Å; R730-C753 VanDerWaalsContact CZ-SG 3.52Å; R730-C753 PolarHBondContact NH1-SG 2.57Å; R730-C753 VanDerWaalsContact NH1-SG 3.39Å; I751-C753 PolarHBondContact O-N 3.35Å; C753-I779 HydrophobicContact CB-CG2 4.31Å; C753-L780 WeakPolarHBondContact CB-O 3.28Å
754	G	97.6	Very high	96	Very high	14 Å²	14	28.1 Å²	28.1	14%	0.144	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.6	1.3	-172.3	0	0	0	0	0	113.8	I779 A796 S797	G754-I779 CarbonylContact C-O 3.51Å; G754-I779 WeakPolarHBondContact CA-O 3.43Å; G754-I779 PolarHBondContact N-O 2.98Å; G754-A796 CarbonylContact O-C 3.53Å; G754-A796 WeakPolarHBondContact O-CA 3.2Å; G754-S797 PolarHBondContact O-N 2.96Å
755	C	98.2	Very high	96.2	Very high	9 Å²	9	25 Å²	25	6%	0.061	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-94.1	143.4	175.7	-71.4	0	0	0	0	112.6	C699 R752 I757 I779 S797	C699-C755 VanDerWaalsContact CA-SG 3.56Å; C699-C755 HydrophobicContact CB-CB 3.73Å; C699-C755 WeakPolarHBondContact CB-SG 3.11Å; C699-C755 WeakPolarHBondContact SG-CB 3.23Å; C699-C755 CovalentContact SG-SG 2.04Å; C699-C755 PolarHBondContact SG-SG 2.86Å; R752-C755 WeakPolarHBondContact O-CB 3.45Å; C755-I757 HydrophobicContact CB-CG1 4.42Å; C755-I779 PolarHBondContact N-O 3.11Å; C755-I779 WeakPolarHBondContact O-CB 3.43Å; C755-I779 PolarHBondContact O-N 2.89Å; C755-S797 CarbonylContact C-O 3.48Å; C755-S797 WeakPolarHBondContact CA-O 3.35Å
756	I	98.5	Very high	96.4	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.015	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.1	166.5	-55.1	176.1	0	0	0	107.8	F777 V778 A796 S797 F817 V819 L824	I756-F777 CarbonylContact C-O 3.5Å; I756-F777 WeakPolarHBondContact CA-O 3.25Å; I756-V778 HydrophobicContact CD1-CG1 4.26Å; I756-V778 HydrophobicContact CG1-CG1 4.12Å; I756-V778 HydrophobicContact CG2-CG2 3.98Å; I756-A796 HydrophobicContact CD1-CB 3.95Å; I756-A796 HydrophobicContact CG1-CB 3.69Å; I756-S797 PolarHBondContact N-O 3.21Å; I756-F817 HydrophobicContact CB-CB 4.05Å; I756-F817 HydrophobicContact CB-CD2 4.45Å; I756-F817 HydrophobicContact CD1-CB 3.55Å; I756-F817 HydrophobicContact CG1-CB 4.39Å; I756-F817 HydrophobicContact CG2-CB 3.8Å; I756-F817 HydrophobicContact CG2-CD2 3.91Å; I756-F817 HydrophobicContact CG2-CG 3.92Å; I756-V819 HydrophobicContact CD1-CG2 4.14Å; I756-L824 HydrophobicContact CD1-CD1 3.75Å
757	I	98.1	Very high	96.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	116.4	-175	-61.5	172	0	0	0	109.1	L655 Y658 C699 I700 I751 C755 M759 F777	L655-I757 HydrophobicContact CD2-CG2 4.09Å; Y658-I757 HydrophobicContact CD2-CG2 4.36Å; Y658-I757 HydrophobicContact CG-CG2 4.25Å; C699-I757 HydrophobicContact CB-CD1 4.43Å; I700-I757 HydrophobicContact CD1-CD1 4.22Å; I700-I757 HydrophobicContact CG1-CD1 4.11Å; I751-I757 HydrophobicContact CD1-CD1 4.21Å; I751-I757 HydrophobicContact CG2-CD1 3.54Å; C755-I757 HydrophobicContact CB-CG1 4.42Å; I757-M759 HydrophobicContact CG2-CG 3.93Å; I757-F777 HydrophobicContact CB-CB 4.49Å; I757-F777 PolarHBondContact N-O 3.4Å; I757-F777 PolarHBondContact O-N 2.79Å
758	P	97.2	Very high	96.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	131.7	167.9	31.4	-33.3	0	0	0	109.5	P657 L776 E799 L800 F817	P657-P758 HydrophobicContact CB-CB 4.31Å; P657-P758 HydrophobicContact CB-CG 4.33Å; P758-L776 HydrophobicContact CB-CD2 4.25Å; P758-E799 WeakPolarHBondContact CG-O 3.37Å; P758-L800 HydrophobicContact CB-CB 4.35Å; P758-L800 HydrophobicContact CB-CD1 4.06Å; P758-L800 HydrophobicContact CG-CB 4.17Å; P758-L800 HydrophobicContact CG-CD1 3.94Å; P758-F817 HydrophobicContact CB-CE2 4.29Å; P758-F817 HydrophobicContact CG-CE2 4.34Å
759	M	96.4	Very high	96.4	Very high	40 Å²	40	22.6 Å²	22.6	20%	0.197	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	152.4	-179.7	-60.9	177.4	73.1	0	0	110	H654 L655 I757 F774 G775 F777	H654-M759 HydrophobicContact CB-CE 3.63Å; H654-M759 CarbonylContact O-C 3.53Å; H654-M759 WeakPolarHBondContact O-CA 3.38Å; H654-M759 WeakPolarHBondContact O-CB 3.16Å; L655-M759 HydrophobicContact CD2-CE 4.24Å; I757-M759 HydrophobicContact CG2-CG 3.93Å; M759-F774 CarbonylContact O-C 3.5Å; M759-F774 VanDerWaalsContact O-CA 3.26Å; M759-F774 WeakPolarHBondContact O-CA 3.24Å; M759-F774 WeakPolarHBondContact O-CD1 3.25Å; M759-G775 PolarHBondContact N-O 3.43Å; M759-G775 PolarHBondContact O-N 3.23Å; M759-F777 HydrophobicContact SD-CB 4.02Å
760	Q	92.4	Very high	96.2	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.019	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	165.1	169.5	-90.3	177.3	-2.3	0	0	111.4	Y312 H654 P657 F774	Y312-Q760 PolarHBondContact OH-OE1 3Å; H654-Q760 PolarHBondContact ND1-O 2.92Å; H654-Q760 PolarHBondContact O-N 3.34Å; P657-Q760 HydrophobicContact CG-CB 4Å; P657-Q760 HydrophobicContact CG-CG 3.57Å; Q760-F774 HydrophobicContact CG-CD1 3.99Å; Q760-F774 HydrophobicContact CG-CE1 3.85Å
761	V	88.4	Confident	96	Very high	63 Å²	63	29.2 Å²	29.2	38%	0.382	15%	0.148	S	C	.	.	P	Polyproline II helix	trans	-75.4	124.4	163.6	-178.2	0	0	0	0	107.6	K772	V761-K772 HydrophobicContact CB-CB 3.86Å; V761-K772 HydrophobicContact CB-CD 3.8Å; V761-K772 HydrophobicContact CB-CG 4.48Å; V761-K772 HydrophobicContact CG1-CD 3.72Å; V761-K772 HydrophobicContact CG2-CB 4.26Å
762	S	90.5	Very high	95.8	Very high	18 Å²	18	32.3 Å²	32.3	13%	0.126	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-56.5	145.7	175.2	-175.8	0	0	0	0	111.4	K650 H654 K772	K650-S762 WeakPolarHBondContact CA-OG 3.27Å; K650-S762 WeakPolarHBondContact CG-OG 3.32Å; H654-S762 PolarHBondContact CE1-N 2.71Å; H654-S762 VanDerWaalsContact CE1-N 3.29Å; H654-S762 PolarHBondContact ND1-N 3.01Å; S762-K772 PolarHBondContact O-NZ 3.07Å; S762-K772 VanDerWaalsContact O-NZ 3.11Å
763	A	95	Very high	95.4	Very high	8 Å²	8	28.3 Å²	28.3	7%	0.066	15%	0.146	C	C	.	.			trans	-150.3	176.5	179.7	0	0	0	0	0	109.5	P343 T765 I768 A769 K772	P343-A763 WeakPolarHBondContact CB-O 3.32Å; A763-T765 VanDerWaalsContact C-N 3.28Å; A763-T765 PolarHBondContact O-N 2.86Å; A763-I768 HydrophobicContact CB-CB 3.94Å; A763-I768 HydrophobicContact CB-CG2 3.71Å; A763-A769 HydrophobicContact CB-CB 3.82Å; A763-K772 HydrophobicContact CB-CD 4.34Å
764	E	97.1	Very high	95.2	Very high	107 Å²	107	27.6 Å²	27.6	50%	0.5	14%	0.141	S	C	.	.	S	Bend	trans	-65.1	-32.5	-178.4	-58.4	78.4	-177.2	0	0	112	P343 I344 I768	P343-E764 CarbonylContact C-O 3.57Å; P343-E764 VanDerWaalsContact CA-O 3.29Å; P343-E764 WeakPolarHBondContact CA-O 3.18Å; I344-E764 PolarHBondContact N-O 2.65Å; E764-I768 HydrophobicContact CB-CD1 4.26Å
765	T	98.4	Very high	95	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.012	14%	0.138	C	C	.	.	S	Bend	trans	-144	162.6	177	65	0	0	0	0	111.1	I344 D345 Y382 V384 A763 D767 I768 A769	I344-T765 VanDerWaalsContact O-CG2 3.32Å; I344-T765 WeakPolarHBondContact O-CG2 3.48Å; D345-T765 WeakPolarHBondContact OD2-CA 3.31Å; Y382-T765 WeakPolarHBondContact O-CG2 3.35Å; V384-T765 HydrophobicContact CG2-CG2 4.4Å; A763-T765 VanDerWaalsContact C-N 3.28Å; A763-T765 PolarHBondContact O-N 2.86Å; T765-D767 VanDerWaalsContact C-N 3.33Å; T765-D767 PolarHBondContact O-N 2.87Å; T765-I768 PolarHBondContact O-N 3.39Å; T765-I768 WeakPolarHBondContact OG1-CG1 3.26Å; T765-I768 PolarHBondContact OG1-N 2.84Å; T765-A769 WeakPolarHBondContact O-CB 3.48Å; T765-A769 PolarHBondContact O-N 2.83Å
766	T	97.8	Very high	94.9	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-62	-38.5	174.3	62.1	0	0	0	0	112.7	Y312 W313 D345 Y653 L656 I768 A769 R770	Y312-T766 HydrophobicContact CD1-CG2 3.83Å; Y312-T766 HydrophobicContact CE1-CG2 3.82Å; W313-T766 WeakPolarHBondContact CA-OG1 3.3Å; D345-T766 WeakPolarHBondContact OD1-CB 3.45Å; D345-T766 VanDerWaalsContact OD1-CG2 3.3Å; D345-T766 WeakPolarHBondContact OD1-CG2 3.18Å; D345-T766 PolarHBondContact OD1-N 2.88Å; D345-T766 PolarHBondContact OD1-OG1 2.77Å; D345-T766 PolarHBondContact OD2-N 2.9Å; Y653-T766 HydrophobicContact CE1-CG2 4.32Å; L656-T766 HydrophobicContact CD1-CG2 3.56Å; T766-I768 PolarHBondContact O-N 2.82Å; T766-I768 VanDerWaalsContact O-N 3.15Å; T766-A769 PolarHBondContact O-N 2.9Å; T766-A769 VanDerWaalsContact O-N 3.13Å; T766-R770 WeakPolarHBondContact O-CB 3.48Å; T766-R770 WeakPolarHBondContact O-CG 3.47Å; T766-R770 PolarHBondContact O-N 2.87Å
767	D	95.5	Very high	94.8	Very high	42 Å²	42	28 Å²	28	23%	0.225	14%	0.141	C	C	.	.	H	α-helix	trans	-54.3	-36.3	176.5	-82.5	-5.7	0	0	0	112.6	R385 T765	R385-D767 IonicContact CZ-OD1 2.87Å; R385-D767 IonicContact CZ-OD2 2.92Å; R385-D767 IonicContact NH1-OD2 2.81Å; R385-D767 PolarHBondContact NH1-OD2 2.85Å; R385-D767 IonicContact NH2-OD1 3.5Å; R385-D767 PolarHBondContact NH2-OD1 2.9Å; R385-D767 IonicContact NH2-OD2 2.99Å; R385-D767 PolarHBondContact NH2-OD2 2.86Å; T765-D767 VanDerWaalsContact C-N 3.33Å; T765-D767 PolarHBondContact O-N 2.87Å
768	I	96	Very high	94.8	Very high	58 Å²	58	28 Å²	28	30%	0.297	14%	0.141	S	C	.	.	H	α-helix	trans	-81.9	-45.9	177.9	-61	169.6	0	0	0	109.8	A763 E764 T765 T766 R770 K771	A763-I768 HydrophobicContact CB-CB 3.94Å; A763-I768 HydrophobicContact CB-CG2 3.71Å; E764-I768 HydrophobicContact CB-CD1 4.26Å; T765-I768 PolarHBondContact O-N 3.39Å; T765-I768 WeakPolarHBondContact OG1-CG1 3.26Å; T765-I768 PolarHBondContact OG1-N 2.84Å; T766-I768 PolarHBondContact O-N 2.82Å; T766-I768 VanDerWaalsContact O-N 3.15Å; I768-R770 VanDerWaalsContact C-N 3.33Å; I768-R770 PolarHBondContact O-N 2.83Å; I768-K771 PolarHBondContact O-N 3.47Å
769	A	96.3	Very high	94.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.9	-43.6	-178.9	0	0	0	0	0	112.2	A763 T765 T766 K771 K772	A763-A769 HydrophobicContact CB-CB 3.82Å; T765-A769 WeakPolarHBondContact O-CB 3.48Å; T765-A769 PolarHBondContact O-N 2.83Å; T766-A769 PolarHBondContact O-N 2.9Å; T766-A769 VanDerWaalsContact O-N 3.13Å; A769-K771 PolarHBondContact O-N 3Å; A769-K772 WeakPolarHBondContact O-CB 3.19Å; A769-K772 PolarHBondContact O-N 2.74Å
770	R	95.5	Very high	94.8	Very high	8 Å²	8	26.1 Å²	26.1	3%	0.03	13%	0.131	C	C	.	.	H	α-helix	trans	-56.4	-36.6	-180	-70.6	173.7	62.9	86.5	7	113	Y312 T766 I768 K772 W802 D803 N804 E843	Y312-R770 HydrophobicContact CD1-CG 4.04Å; Y312-R770 HydrophobicContact CE1-CG 3.83Å; T766-R770 WeakPolarHBondContact O-CB 3.48Å; T766-R770 WeakPolarHBondContact O-CG 3.47Å; T766-R770 PolarHBondContact O-N 2.87Å; I768-R770 VanDerWaalsContact C-N 3.33Å; I768-R770 PolarHBondContact O-N 2.83Å; R770-K772 VanDerWaalsContact C-N 3.27Å; R770-K772 PolarHBondContact O-N 3.34Å; R770-W802 HydrophobicContact CB-CZ2 4.28Å; R770-W802 HydrophobicContact CG-CH2 4.09Å; R770-W802 HydrophobicContact CG-CZ2 3.87Å; R770-W802 VanDerWaalsContact CZ-CZ2 3.42Å; R770-W802 VanDerWaalsContact NH1-CZ2 3.25Å; R770-D803 PolarHBondContact NH2-O 3.39Å; R770-N804 PolarHBondContact NH2-O 3.48Å; R770-E843 HydrophobicContact CB-CG 4.37Å; R770-E843 IonicContact CZ-OE1 3.86Å; R770-E843 IonicContact CZ-OE2 3.74Å; R770-E843 IonicContact NE-OE1 3.61Å; R770-E843 PolarHBondContact NE-OE1 2.85Å; R770-E843 IonicContact NE-OE2 2.62Å; R770-E843 IonicContact NH2-OE1 3.78Å; R770-E843 PolarHBondContact NH2-OE1 2.82Å; R770-E843 IonicContact NH2-OE2 3.79Å; R770-E843 PolarHBondContact NH2-OE2 2.95Å; R770-E843 VanDerWaalsContact O-CA 3.29Å; R770-E843 WeakPolarHBondContact O-CA 3.32Å; R770-E843 WeakPolarHBondContact O-CB 3.43Å; R770-E843 WeakPolarHBondContact O-CG 3.47Å
771	K	94	Very high	95	Very high	133 Å²	133	27.6 Å²	27.6	58%	0.578	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-7.8	-179.4	-63.9	174.1	-174.7	170.3	0	113.9	I768 A769	I768-K771 PolarHBondContact O-N 3.47Å; A769-K771 PolarHBondContact O-N 3Å
772	K	92.3	Very high	95.3	Very high	69 Å²	69	26.3 Å²	26.3	30%	0.3	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-11.2	-180	-64.6	-173.9	-178.3	175.4	0	113.2	V761 S762 A763 A769 R770 K847	V761-K772 HydrophobicContact CB-CB 3.86Å; V761-K772 HydrophobicContact CB-CD 3.8Å; V761-K772 HydrophobicContact CB-CG 4.48Å; V761-K772 HydrophobicContact CG1-CD 3.72Å; V761-K772 HydrophobicContact CG2-CB 4.26Å; S762-K772 PolarHBondContact O-NZ 3.07Å; S762-K772 VanDerWaalsContact O-NZ 3.11Å; A763-K772 HydrophobicContact CB-CD 4.34Å; A769-K772 WeakPolarHBondContact O-CB 3.19Å; A769-K772 PolarHBondContact O-N 2.74Å; R770-K772 VanDerWaalsContact C-N 3.27Å; R770-K772 PolarHBondContact O-N 3.34Å; K772-K847 WeakPolarHBondContact O-CE 3.5Å; K772-K847 WeakPolarHBondContact O-CG 3.46Å
773	G	90.8	Very high	95.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.			trans	80.8	-171.8	-178.3	0	0	0	0	0	113.8	E843 D845	G773-E843 WeakPolarHBondContact CA-O 3.39Å; G773-D845 CarbonylContact C-O 3.46Å; G773-D845 VanDerWaalsContact CA-O 3.3Å; G773-D845 WeakPolarHBondContact CA-O 3.3Å
774	F	93.9	Very high	95.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	143.9	-169.9	-67.1	-79.6	0	0	0	114.4	P657 M759 Q760 L800 W802 E843 L844 D845 V846 K847 T848 L889	P657-F774 HydrophobicContact CB-CD1 4.36Å; P657-F774 HydrophobicContact CB-CE1 3.75Å; P657-F774 HydrophobicContact CG-CD1 4.15Å; P657-F774 HydrophobicContact CG-CE1 3.65Å; M759-F774 CarbonylContact O-C 3.5Å; M759-F774 VanDerWaalsContact O-CA 3.26Å; M759-F774 WeakPolarHBondContact O-CA 3.24Å; M759-F774 WeakPolarHBondContact O-CD1 3.25Å; Q760-F774 HydrophobicContact CG-CD1 3.99Å; Q760-F774 HydrophobicContact CG-CE1 3.85Å; F774-L800 HydrophobicContact CD1-CD2 4.44Å; F774-L800 HydrophobicContact CE1-CD1 4.16Å; F774-L800 HydrophobicContact CE1-CD2 4.02Å; F774-L800 HydrophobicContact CE2-CD2 4.07Å; F774-L800 HydrophobicContact CZ-CD1 4.42Å; F774-L800 HydrophobicContact CZ-CD2 3.82Å; F774-W802 HydrophobicContact CE1-CE3 4.17Å; F774-W802 HydrophobicContact CE1-CH2 4.26Å; F774-W802 HydrophobicContact CE1-CZ3 4.02Å; F774-W802 HydrophobicContact CE2-CD2 4.32Å; F774-W802 AromaticContact CZ-CD2 3.58Å; F774-W802 HydrophobicContact CZ-CD2 3.58Å; F774-W802 AromaticContact CZ-CE2 3.65Å; F774-W802 AromaticContact CZ-CE3 3.63Å; F774-W802 HydrophobicContact CZ-CE3 3.63Å; F774-W802 HydrophobicContact CZ-CG 4.27Å; F774-W802 AromaticContact CZ-CH2 3.88Å; F774-W802 HydrophobicContact CZ-CH2 3.88Å; F774-W802 AromaticContact CZ-CZ2 3.79Å; F774-W802 HydrophobicContact CZ-CZ2 3.79Å; F774-W802 AromaticContact CZ-CZ3 3.77Å; F774-W802 HydrophobicContact CZ-CZ3 3.77Å; F774-E843 WeakPolarHBondContact CD2-O 3.32Å; F774-E843 WeakPolarHBondContact CE2-O 3.44Å; F774-L844 HydrophobicContact CE2-CD2 4.13Å; F774-D845 PolarHBondContact N-O 3.37Å; F774-V846 CarbonylContact O-C 3.6Å; F774-K847 PolarHBondContact O-N 3.32Å; F774-T848 PolarHBondContact O-N 3.02Å; F774-L889 HydrophobicContact CB-CD1 4.05Å; F774-L889 HydrophobicContact CD2-CD1 3.54Å; F774-L889 HydrophobicContact CD2-CG 4.42Å; F774-L889 HydrophobicContact CE2-CD1 4.12Å; F774-L889 HydrophobicContact CG-CD1 3.79Å
775	G	93.7	Very high	95.1	Very high	9 Å²	9	25.3 Å²	25.3	9%	0.093	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	142.1	153.2	0	0	0	0	0	110.4	M759 T848	M759-G775 PolarHBondContact N-O 3.43Å; M759-G775 PolarHBondContact O-N 3.23Å; G775-T848 CarbonylContact C-O 3.49Å; G775-T848 VanDerWaalsContact CA-O 3.28Å; G775-T848 WeakPolarHBondContact CA-O 3.39Å
776	L	95.6	Very high	94.8	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120	169.8	-58.2	-179.4	0	0	0	109.8	P758 V778 F817 T848 I849 L850 L889	P758-L776 HydrophobicContact CB-CD2 4.25Å; L776-V778 HydrophobicContact CB-CG2 4.37Å; L776-F817 HydrophobicContact CD1-CD1 4.39Å; L776-F817 HydrophobicContact CD1-CE1 4.08Å; L776-F817 HydrophobicContact CD2-CE1 3.95Å; L776-F817 HydrophobicContact CD2-CE2 4.39Å; L776-F817 HydrophobicContact CD2-CZ 3.81Å; L776-T848 PolarHBondContact N-O 3.42Å; L776-I849 HydrophobicContact CB-CG1 4.17Å; L776-I849 HydrophobicContact CB-CG2 4.45Å; L776-I849 HydrophobicContact CD1-CD1 4.19Å; L776-I849 HydrophobicContact CD1-CG1 4.28Å; L776-I849 HydrophobicContact CG-CG1 4.43Å; L776-I849 WeakPolarHBondContact O-CA 3.28Å; L776-L850 PolarHBondContact O-N 2.87Å; L776-L889 HydrophobicContact CD1-CD2 4.3Å
777	F	95.9	Very high	94.6	Very high	25 Å²	25	28 Å²	28	11%	0.11	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	102.2	174.5	-167.9	-143.6	0	0	0	109.6	I751 I756 I757 M759 I779 L850 V852	I751-F777 HydrophobicContact CD1-CD1 4.22Å; I751-F777 HydrophobicContact CD1-CE1 3.75Å; I756-F777 CarbonylContact C-O 3.5Å; I756-F777 WeakPolarHBondContact CA-O 3.25Å; I757-F777 HydrophobicContact CB-CB 4.49Å; I757-F777 PolarHBondContact N-O 3.4Å; I757-F777 PolarHBondContact O-N 2.79Å; M759-F777 HydrophobicContact SD-CB 4.02Å; F777-I779 HydrophobicContact CD1-CD1 3.69Å; F777-I779 HydrophobicContact CD1-CG1 3.94Å; F777-I779 HydrophobicContact CD2-CG1 4.48Å; F777-I779 HydrophobicContact CE1-CD1 3.55Å; F777-I779 HydrophobicContact CE1-CG1 3.85Å; F777-I779 HydrophobicContact CE2-CG1 4.43Å; F777-I779 HydrophobicContact CG-CD1 4.46Å; F777-I779 HydrophobicContact CG-CG1 4.26Å; F777-I779 HydrophobicContact CZ-CD1 4.23Å; F777-I779 HydrophobicContact CZ-CG1 4.11Å; F777-L850 HydrophobicContact CD2-CB 4.11Å; F777-L850 HydrophobicContact CD2-CD2 3.76Å; F777-L850 HydrophobicContact CD2-CG 4.05Å; F777-L850 HydrophobicContact CE2-CD2 3.53Å; F777-L850 HydrophobicContact CE2-CG 4.05Å; F777-V852 HydrophobicContact CD2-CG2 3.87Å; F777-V852 HydrophobicContact CE2-CG2 3.11Å; F777-V852 HydrophobicContact CZ-CG2 3.66Å
778	V	97.7	Very high	94.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	101	-171.2	-179.5	0	0	0	0	108.7	I756 L776 V819 L824 I849 L850 I851 V852	I756-V778 HydrophobicContact CD1-CG1 4.26Å; I756-V778 HydrophobicContact CG1-CG1 4.12Å; I756-V778 HydrophobicContact CG2-CG2 3.98Å; L776-V778 HydrophobicContact CB-CG2 4.37Å; V778-V819 HydrophobicContact CG1-CG2 3.83Å; V778-L824 HydrophobicContact CG2-CD2 3.91Å; V778-I849 HydrophobicContact CG2-CG2 4.2Å; V778-L850 PolarHBondContact N-O 3.26Å; V778-I851 HydrophobicContact CB-CG1 4.23Å; V778-I851 HydrophobicContact CG1-CG2 4.38Å; V778-I851 CarbonylContact O-C 3.6Å; V778-I851 WeakPolarHBondContact O-CA 3.37Å; V778-V852 PolarHBondContact O-N 3.41Å
779	I	97.5	Very high	94.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	109.1	-175.4	-51.5	162.3	0	0	0	108.7	I723 I751 C753 G754 C755 F777 V852	I723-I779 HydrophobicContact CD1-CG2 4.29Å; I723-I779 HydrophobicContact CG1-CG2 3.58Å; I751-I779 HydrophobicContact CB-CD1 3.93Å; I751-I779 HydrophobicContact CD1-CD1 4.34Å; I751-I779 HydrophobicContact CG2-CD1 3.23Å; C753-I779 HydrophobicContact CB-CG2 4.31Å; G754-I779 CarbonylContact C-O 3.51Å; G754-I779 WeakPolarHBondContact CA-O 3.43Å; G754-I779 PolarHBondContact N-O 2.98Å; C755-I779 PolarHBondContact N-O 3.11Å; C755-I779 WeakPolarHBondContact O-CB 3.43Å; C755-I779 PolarHBondContact O-N 2.89Å; F777-I779 HydrophobicContact CD1-CD1 3.69Å; F777-I779 HydrophobicContact CD1-CG1 3.94Å; F777-I779 HydrophobicContact CD2-CG1 4.48Å; F777-I779 HydrophobicContact CE1-CD1 3.55Å; F777-I779 HydrophobicContact CE1-CG1 3.85Å; F777-I779 HydrophobicContact CE2-CG1 4.43Å; F777-I779 HydrophobicContact CG-CD1 4.46Å; F777-I779 HydrophobicContact CG-CG1 4.26Å; F777-I779 HydrophobicContact CZ-CD1 4.23Å; F777-I779 HydrophobicContact CZ-CG1 4.11Å; I779-V852 HydrophobicContact CG1-CB 4.47Å; I779-V852 HydrophobicContact CG1-CG2 4.26Å; I779-V852 HydrophobicContact CG2-CB 4.4Å
780	L	97.5	Very high	93.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	144.6	-177.7	-58.7	176.7	0	0	0	111.5	R730 C753 S782 D784 I794 V819 I851 V852 F854 W897	R730-L780 PolarHBondContact NH1-O 3Å; R730-L780 PolarHBondContact NH2-O 3.22Å; C753-L780 WeakPolarHBondContact CB-O 3.28Å; L780-S782 VanDerWaalsContact CB-O 3.25Å; L780-S782 WeakPolarHBondContact CB-O 3.23Å; L780-S782 PolarHBondContact O-N 3.24Å; L780-D784 HydrophobicContact CD1-CB 4.4Å; L780-I794 HydrophobicContact CD1-CD1 4.21Å; L780-V819 HydrophobicContact CD2-CB 4.49Å; L780-V819 HydrophobicContact CD2-CG1 3.88Å; L780-V819 HydrophobicContact CD2-CG2 4.37Å; L780-I851 HydrophobicContact CD1-CG2 4.16Å; L780-I851 HydrophobicContact CD2-CG2 4.38Å; L780-I851 HydrophobicContact CG-CG2 4.17Å; L780-V852 WeakPolarHBondContact CB-O 3.35Å; L780-V852 VanDerWaalsContact CG-O 3.31Å; L780-V852 WeakPolarHBondContact CG-O 3.39Å; L780-V852 PolarHBondContact N-O 2.99Å; L780-F854 HydrophobicContact CD1-CD1 3.88Å; L780-F854 HydrophobicContact CD1-CE1 3.68Å; L780-W897 HydrophobicContact CD1-CZ2 4.4Å; L780-W897 HydrophobicContact CD2-CH2 4.17Å; L780-W897 HydrophobicContact CD2-CZ2 4.05Å
781	S	96.6	Very high	93.6	Very high	35 Å²	35	32.2 Å²	32.2	25%	0.245	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	-30.9	-179.7	57.7	0	0	0	0	113.3	T795	S781-T795 WeakPolarHBondContact CB-O 3.5Å; S781-T795 WeakPolarHBondContact CB-OG1 3.45Å; S781-T795 PolarHBondContact N-O 3.42Å; S781-T795 PolarHBondContact OG-N 3.5Å; S781-T795 PolarHBondContact OG-O 3.34Å; S781-T795 VanDerWaalsContact OG-O 3.06Å; S781-T795 PolarHBondContact OG-OG1 3.35Å
782	S	93.4	Very high	93.4	Very high	36 Å²	36	33.2 Å²	33.2	25%	0.252	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	169.8	168.8	67.2	0	0	0	0	109.7	L780 I794	L780-S782 VanDerWaalsContact CB-O 3.25Å; L780-S782 WeakPolarHBondContact CB-O 3.23Å; L780-S782 PolarHBondContact O-N 3.24Å; S782-I794 WeakPolarHBondContact O-CG2 3.43Å
783	T	92.6	Very high	93.5	Very high	38 Å²	38	39.1 Å²	39.1	23%	0.233	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	144.4	173.7	52.2	0	0	0	0	112.6	G853 I855	T783-G853 CarbonylContact C-O 3.54Å; T783-G853 VanDerWaalsContact CA-O 3.3Å; T783-G853 WeakPolarHBondContact CA-O 3.45Å; T783-I855 HydrophobicContact CG2-CD1 4.04Å; T783-I855 HydrophobicContact CG2-CG1 4.03Å; T783-I855 WeakPolarHBondContact OG1-CD1 3.42Å
784	D	94.2	Very high	93.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	111.7	171.6	-164.9	-12	0	0	0	109.9	L780 G786 I794 R822 G853 F854 I855 W897 F899	L780-D784 HydrophobicContact CD1-CB 4.4Å; D784-G786 VanDerWaalsContact C-N 3.33Å; D784-G786 PolarHBondContact OD1-N 3.1Å; D784-I794 HydrophobicContact CB-CD1 4.03Å; D784-I794 HydrophobicContact CB-CG2 4.4Å; D784-I794 VanDerWaalsContact OD2-CD1 3.3Å; D784-I794 WeakPolarHBondContact OD2-CD1 3.39Å; D784-R822 IonicContact OD1-CZ 3.36Å; D784-R822 IonicContact OD1-NE 2.78Å; D784-R822 PolarHBondContact OD1-NE 2.74Å; D784-R822 IonicContact OD1-NH2 3.06Å; D784-R822 PolarHBondContact OD1-NH2 3.45Å; D784-R822 IonicContact OD2-CZ 2.87Å; D784-R822 IonicContact OD2-NE 3.88Å; D784-R822 PolarHBondContact OD2-NE 2.89Å; D784-R822 IonicContact OD2-NH2 3.73Å; D784-G853 PolarHBondContact N-O 2.03Å; D784-F854 HydrophobicContact CB-CD1 4.12Å; D784-F854 HydrophobicContact CB-CE1 4.49Å; D784-I855 PolarHBondContact O-N 3.4Å; D784-I855 VanDerWaalsContact O-N 3.13Å; D784-W897 PolarHBondContact OD2-NE1 2.8Å; D784-F899 HydrophobicContact CB-CE2 4.13Å; D784-F899 VanDerWaalsContact CG-CE2 3.49Å; D784-F899 WeakPolarHBondContact OD2-CE2 3.4Å
785	D	92.2	Very high	93.9	Very high	74 Å²	74	42.2 Å²	42.2	40%	0.396	23%	0.232	S	C	.	.			trans	-90.5	2.2	178.1	66.1	-0.4	0	0	0	113	S787 A790 I855 K856	D785-S787 VanDerWaalsContact C-N 3.31Å; D785-S787 WeakPolarHBondContact OD1-CB 3.22Å; D785-S787 PolarHBondContact OD1-N 2.9Å; D785-S787 PolarHBondContact OD1-OG 3.41Å; D785-S787 PolarHBondContact OD2-OG 2.94Å; D785-A790 WeakPolarHBondContact OD1-CB 3.38Å; D785-I855 HydrophobicContact CB-CD1 4.18Å; D785-K856 WeakPolarHBondContact O-CE 3.43Å; D785-K856 PolarHBondContact O-NZ 3.22Å; D785-K856 VanDerWaalsContact O-NZ 3.15Å
786	G	93.1	Very high	94.1	Very high	13 Å²	13	42 Å²	42	13%	0.134	23%	0.229	C	C	.	.	S	Bend	trans	84.2	-5.1	-175.1	0	0	0	0	0	115.2	D784 R822 F899	D784-G786 VanDerWaalsContact C-N 3.33Å; D784-G786 PolarHBondContact OD1-N 3.1Å; G786-R822 PolarHBondContact O-NH1 2.81Å; G786-R822 PolarHBondContact O-NH2 3.03Å; G786-R822 VanDerWaalsContact O-NH2 3.13Å; G786-F899 VanDerWaalsContact CA-CG 3.46Å
787	S	93.6	Very high	94.2	Very high	46 Å²	46	45.5 Å²	45.5	32%	0.322	25%	0.253	S	S	.	.			trans	-70.4	146.6	172.3	73.2	0	0	0	0	111.4	D785 A789 A790 G791 R822	D785-S787 VanDerWaalsContact C-N 3.31Å; D785-S787 WeakPolarHBondContact OD1-CB 3.22Å; D785-S787 PolarHBondContact OD1-N 2.9Å; D785-S787 PolarHBondContact OD1-OG 3.41Å; D785-S787 PolarHBondContact OD2-OG 2.94Å; S787-A789 PolarHBondContact O-N 2.91Å; S787-A790 PolarHBondContact O-N 2.89Å; S787-A790 WeakPolarHBondContact OG-CB 3.36Å; S787-A790 PolarHBondContact OG-N 2.96Å; S787-A790 VanDerWaalsContact OG-N 3.14Å; S787-G791 PolarHBondContact O-N 3.4Å; S787-R822 PolarHBondContact O-NH2 3.25Å
788	D	91.6	Very high	94.4	Very high	124 Å²	124	45.2 Å²	45.2	66%	0.663	26%	0.258	S	S	*	.	H	α-helix	trans	-60.4	-29	176.5	-70	-23.7	0	0	0	112.5	K792	D788-K792 WeakPolarHBondContact O-CG 3.24Å; D788-K792 PolarHBondContact O-N 2.98Å; D788-K792 VanDerWaalsContact O-N 3.15Å
789	A	91.8	Very high	94.4	Very high	56 Å²	56	47.1 Å²	47.1	46%	0.463	27%	0.267	S	S	.	.	H	α-helix	trans	-66.3	-44.5	176.8	0	0	0	0	0	111.9	S787 R793	S787-A789 PolarHBondContact O-N 2.91Å; A789-R793 WeakPolarHBondContact O-CG 3.34Å; A789-R793 PolarHBondContact O-N 2.88Å
790	A	89	Confident	94.4	Very high	13 Å²	13	47.1 Å²	47.1	11%	0.107	27%	0.267	C	S	.	.	H	α-helix	trans	-63.7	-47.9	174.2	0	0	0	0	0	110.7	D785 S787 K792 R793 I794	D785-A790 WeakPolarHBondContact OD1-CB 3.38Å; S787-A790 PolarHBondContact O-N 2.89Å; S787-A790 WeakPolarHBondContact OG-CB 3.36Å; S787-A790 PolarHBondContact OG-N 2.96Å; S787-A790 VanDerWaalsContact OG-N 3.14Å; A790-K792 PolarHBondContact O-N 2.84Å; A790-K792 VanDerWaalsContact O-N 3.13Å; A790-R793 PolarHBondContact O-N 2.91Å; A790-I794 WeakPolarHBondContact O-CG2 3.45Å; A790-I794 PolarHBondContact O-N 3.37Å
791	G	88.6	Confident	94.4	Very high	4 Å²	4	47.1 Å²	47.1	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-56.1	-32.7	-179.5	0	0	0	0	0	114.7	S787 D821 R822	S787-G791 PolarHBondContact O-N 3.4Å; G791-D821 WeakPolarHBondContact O-CA 3.3Å; G791-R822 PolarHBondContact O-N 2.91Å
792	K	91	Very high	94.5	Very high	154 Å²	154	45.5 Å²	45.5	67%	0.67	26%	0.255	S	S	*	.	H	α-helix	trans	-81.4	-21.3	175.9	-71.2	178	-176.6	-180	0	114.5	D788 A790	D788-K792 WeakPolarHBondContact O-CG 3.24Å; D788-K792 PolarHBondContact O-N 2.98Å; D788-K792 VanDerWaalsContact O-N 3.15Å; A790-K792 PolarHBondContact O-N 2.84Å; A790-K792 VanDerWaalsContact O-N 3.13Å
793	R	92.9	Very high	94.6	Very high	192 Å²	192	43.8 Å²	43.8	73%	0.725	24%	0.243	S	C	*	.	H	α-helix	trans	-95.3	-32.1	-177.1	-75.4	179.8	179.7	164.2	0.7	113.2	A789 A790 T795	A789-R793 WeakPolarHBondContact O-CG 3.34Å; A789-R793 PolarHBondContact O-N 2.88Å; A790-R793 PolarHBondContact O-N 2.91Å; R793-T795 PolarHBondContact O-N 3.12Å
794	I	95.5	Very high	94.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.249	C	C	.	.			trans	-62	136.6	179.4	61.1	-179.7	0	0	0	110.6	L780 S782 D784 A790 R822 W897	L780-I794 HydrophobicContact CD1-CD1 4.21Å; S782-I794 WeakPolarHBondContact O-CG2 3.43Å; D784-I794 HydrophobicContact CB-CD1 4.03Å; D784-I794 HydrophobicContact CB-CG2 4.4Å; D784-I794 VanDerWaalsContact OD2-CD1 3.3Å; D784-I794 WeakPolarHBondContact OD2-CD1 3.39Å; A790-I794 WeakPolarHBondContact O-CG2 3.45Å; A790-I794 PolarHBondContact O-N 3.37Å; I794-R822 HydrophobicContact CD1-CG 4.09Å; I794-W897 HydrophobicContact CD1-CZ2 3.81Å
795	T	97.6	Very high	94.8	Very high	66 Å²	66	45.3 Å²	45.3	41%	0.405	25%	0.251	S	S	.	.			trans	-141.9	157.4	178.1	55	0	0	0	0	108.9	S781 R793 V819	S781-T795 WeakPolarHBondContact CB-O 3.5Å; S781-T795 WeakPolarHBondContact CB-OG1 3.45Å; S781-T795 PolarHBondContact N-O 3.42Å; S781-T795 PolarHBondContact OG-N 3.5Å; S781-T795 PolarHBondContact OG-O 3.34Å; S781-T795 VanDerWaalsContact OG-O 3.06Å; S781-T795 PolarHBondContact OG-OG1 3.35Å; R793-T795 PolarHBondContact O-N 3.12Å; T795-V819 WeakPolarHBondContact CA-O 3.44Å
796	A	98.4	Very high	94.8	Very high	4 Å²	4	43.4 Å²	43.4	3%	0.033	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	148.3	164.4	0	0	0	0	0	107.8	G754 I756 E818 V819	G754-A796 CarbonylContact O-C 3.53Å; G754-A796 WeakPolarHBondContact O-CA 3.2Å; I756-A796 HydrophobicContact CD1-CB 3.95Å; I756-A796 HydrophobicContact CG1-CB 3.69Å; A796-E818 CarbonylContact O-C 3.54Å; A796-E818 WeakPolarHBondContact O-CA 3.14Å; A796-V819 HydrophobicContact CB-CB 4.01Å; A796-V819 HydrophobicContact CB-CG2 4.06Å; A796-V819 PolarHBondContact N-O 3.28Å; A796-V819 PolarHBondContact O-N 2.82Å
797	S	98.5	Very high	94.5	Very high	75 Å²	75	43.1 Å²	43.1	52%	0.524	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155.6	175.7	60.7	0	0	0	0	111.3	G754 C755 I756 F817	G754-S797 PolarHBondContact O-N 2.96Å; C755-S797 CarbonylContact C-O 3.48Å; C755-S797 WeakPolarHBondContact CA-O 3.35Å; I756-S797 PolarHBondContact N-O 3.21Å; S797-F817 WeakPolarHBondContact CA-O 3.31Å
798	G	98.4	Very high	94.1	Very high	19 Å²	19	42.6 Å²	42.6	20%	0.196	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	-176.9	173.7	0	0	0	0	0	109.9	F817	G798-F817 PolarHBondContact N-O 3.06Å; G798-F817 VanDerWaalsContact N-O 3.11Å; G798-F817 PolarHBondContact O-N 3.21Å
799	E	98.3	Very high	93.9	Very high	41 Å²	41	41.7 Å²	41.7	19%	0.192	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	164.4	-178.8	56	179.7	136.3	0	0	111.2	T661 R665 P758 H814 V815	T661-E799 HydrophobicContact CG2-CG 3.7Å; R665-E799 IonicContact CZ-OE1 3.01Å; R665-E799 IonicContact CZ-OE2 3.67Å; R665-E799 VanDerWaalsContact NE-CD 3.27Å; R665-E799 IonicContact NE-OE1 3.39Å; R665-E799 PolarHBondContact NE-OE1 2.83Å; R665-E799 IonicContact NE-OE2 3.79Å; R665-E799 PolarHBondContact NE-OE2 2.83Å; R665-E799 IonicContact NH2-OE1 2.78Å; R665-E799 PolarHBondContact NH2-OE1 2.92Å; R665-E799 IonicContact NH2-OE2 3.85Å; R665-E799 PolarHBondContact NH2-OE2 2.8Å; P758-E799 WeakPolarHBondContact CG-O 3.37Å; E799-H814 IonicContact OE2-CD2 3.51Å; E799-H814 IonicContact OE2-CE1 3.85Å; E799-H814 IonicContact OE2-NE2 2.67Å; E799-H814 PolarHBondContact OE2-NE2 3.23Å; E799-V815 CarbonylContact C-O 3.48Å; E799-V815 WeakPolarHBondContact CA-O 3.42Å
800	L	98.4	Very high	93.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	125.7	171.8	175	69	0	0	0	108.5	P657 P758 F774 W802 V815 F817 L889	P657-L800 HydrophobicContact CB-CD1 3.82Å; P758-L800 HydrophobicContact CB-CB 4.35Å; P758-L800 HydrophobicContact CB-CD1 4.06Å; P758-L800 HydrophobicContact CG-CB 4.17Å; P758-L800 HydrophobicContact CG-CD1 3.94Å; F774-L800 HydrophobicContact CD1-CD2 4.44Å; F774-L800 HydrophobicContact CE1-CD1 4.16Å; F774-L800 HydrophobicContact CE1-CD2 4.02Å; F774-L800 HydrophobicContact CE2-CD2 4.07Å; F774-L800 HydrophobicContact CZ-CD1 4.42Å; F774-L800 HydrophobicContact CZ-CD2 3.82Å; L800-W802 HydrophobicContact CD1-CE3 3.85Å; L800-W802 HydrophobicContact CD1-CZ3 4.46Å; L800-W802 HydrophobicContact CD2-CB 4.3Å; L800-W802 HydrophobicContact CG-CB 4.24Å; L800-W802 HydrophobicContact CG-CE3 4.47Å; L800-V815 HydrophobicContact CB-CB 4.18Å; L800-V815 PolarHBondContact N-O 3.01Å; L800-V815 PolarHBondContact O-N 2.82Å; L800-F817 HydrophobicContact CB-CE2 3.9Å; L800-F817 HydrophobicContact CB-CZ 3.91Å; L800-L889 HydrophobicContact CD2-CD1 3.46Å; L800-L889 VanDerWaalsContact CD2-CD1 3.46Å
801	F	97.6	Very high	94.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.6	158.8	168.6	-94.4	0	0	0	108.5	I309 Y660 T661 Y664 D803 Y812	I309-F801 HydrophobicContact CD1-CD1 4.4Å; I309-F801 HydrophobicContact CD1-CE1 3.68Å; I309-F801 HydrophobicContact CD1-CE2 3.83Å; I309-F801 HydrophobicContact CD1-CZ 3.36Å; I309-F801 HydrophobicContact CG2-CE1 4.11Å; Y660-F801 AromaticContact CD1-CD1 3.66Å; Y660-F801 HydrophobicContact CD1-CD1 3.66Å; Y660-F801 HydrophobicContact CD1-CE1 4.03Å; Y660-F801 AromaticContact CE1-CD1 3.51Å; Y660-F801 HydrophobicContact CE1-CD1 3.51Å; Y660-F801 AromaticContact CE1-CE1 3.39Å; Y660-F801 HydrophobicContact CE1-CE1 3.39Å; Y660-F801 HydrophobicContact CG-CD1 4.5Å; Y660-F801 AromaticContact CZ-CE1 3.74Å; T661-F801 HydrophobicContact CG2-CB 4.13Å; T661-F801 PolarHBondContact OG1-N 3Å; Y664-F801 HydrophobicContact CD1-CB 3.73Å; Y664-F801 HydrophobicContact CD1-CD2 4.01Å; Y664-F801 HydrophobicContact CD1-CG 4.12Å; Y664-F801 HydrophobicContact CD2-CB 4.32Å; Y664-F801 AromaticContact CD2-CD2 3.17Å; Y664-F801 HydrophobicContact CD2-CD2 3.17Å; Y664-F801 AromaticContact CD2-CE2 3.47Å; Y664-F801 HydrophobicContact CD2-CE2 3.47Å; Y664-F801 VanDerWaalsContact CD2-CE2 3.47Å; Y664-F801 AromaticContact CD2-CG 3.8Å; Y664-F801 HydrophobicContact CD2-CG 3.8Å; Y664-F801 HydrophobicContact CD2-CZ 4.33Å; Y664-F801 HydrophobicContact CE1-CB 4.39Å; Y664-F801 HydrophobicContact CE1-CD2 4.25Å; Y664-F801 AromaticContact CE2-CD2 3.48Å; Y664-F801 HydrophobicContact CE2-CD2 3.48Å; Y664-F801 VanDerWaalsContact CE2-CD2 3.48Å; Y664-F801 AromaticContact CE2-CE2 3.75Å; Y664-F801 HydrophobicContact CE2-CE2 3.75Å; Y664-F801 HydrophobicContact CE2-CG 4.44Å; Y664-F801 HydrophobicContact CG-CB 3.65Å; Y664-F801 HydrophobicContact CG-CD1 4.4Å; Y664-F801 AromaticContact CG-CD2 3.43Å; Y664-F801 HydrophobicContact CG-CD2 3.43Å; Y664-F801 VanDerWaalsContact CG-CD2 3.43Å; Y664-F801 HydrophobicContact CG-CE2 4.14Å; Y664-F801 AromaticContact CG-CG 3.57Å; Y664-F801 HydrophobicContact CG-CG 3.57Å; Y664-F801 AromaticContact CZ-CD2 3.98Å; F801-D803 HydrophobicContact CE1-CB 4.43Å; F801-D803 VanDerWaalsContact CE1-OD2 3.24Å; F801-D803 WeakPolarHBondContact CE1-OD2 3.43Å; F801-D803 HydrophobicContact CZ-CB 4.24Å; F801-D803 VanDerWaalsContact CZ-OD2 3.24Å; F801-D803 WeakPolarHBondContact CZ-OD2 3.36Å; F801-Y812 HydrophobicContact CD2-CD1 4.46Å; F801-Y812 AromaticContact CD2-CD2 3.79Å; F801-Y812 HydrophobicContact CD2-CD2 3.79Å; F801-Y812 HydrophobicContact CD2-CE2 4.34Å; F801-Y812 AromaticContact CD2-CG 3.88Å; F801-Y812 HydrophobicContact CD2-CG 3.88Å; F801-Y812 VanDerWaalsContact CE2-CB 3.41Å; F801-Y812 AromaticContact CE2-CD1 3.59Å; F801-Y812 HydrophobicContact CE2-CD1 3.59Å; F801-Y812 AromaticContact CE2-CD2 3.71Å; F801-Y812 HydrophobicContact CE2-CD2 3.71Å; F801-Y812 HydrophobicContact CE2-CE1 4.25Å; F801-Y812 HydrophobicContact CE2-CE2 4.34Å; F801-Y812 AromaticContact CE2-CG 3.31Å; F801-Y812 HydrophobicContact CE2-CG 3.31Å; F801-Y812 HydrophobicContact CZ-CD1 4.37Å; F801-Y812 HydrophobicContact CZ-CG 4.19Å
802	W	97.6	Very high	94.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	128.2	177.1	-154.4	-104.8	0	0	0	112.6	Y312 P657 Y660 R770 F774 L800 Y812 V813 I839 E843 L844	Y312-W802 HydrophobicContact CD2-CH2 4.27Å; Y312-W802 HydrophobicContact CD2-CZ3 4.28Å; Y312-W802 HydrophobicContact CE1-CH2 4.21Å; Y312-W802 AromaticContact CE2-CH2 3.57Å; Y312-W802 HydrophobicContact CE2-CH2 3.57Å; Y312-W802 AromaticContact CE2-CZ3 3.48Å; Y312-W802 HydrophobicContact CE2-CZ3 3.48Å; Y312-W802 VanDerWaalsContact CE2-CZ3 3.48Å; Y312-W802 AromaticContact CZ-CH2 3.52Å; Y312-W802 AromaticContact CZ-CZ3 3.84Å; P657-W802 HydrophobicContact CB-CZ3 4.14Å; P657-W802 HydrophobicContact CG-CZ3 4.33Å; Y660-W802 HydrophobicContact CD1-CE3 4.49Å; Y660-W802 HydrophobicContact CD1-CZ3 4.46Å; R770-W802 HydrophobicContact CB-CZ2 4.28Å; R770-W802 HydrophobicContact CG-CH2 4.09Å; R770-W802 HydrophobicContact CG-CZ2 3.87Å; R770-W802 VanDerWaalsContact CZ-CZ2 3.42Å; R770-W802 VanDerWaalsContact NH1-CZ2 3.25Å; F774-W802 HydrophobicContact CE1-CE3 4.17Å; F774-W802 HydrophobicContact CE1-CH2 4.26Å; F774-W802 HydrophobicContact CE1-CZ3 4.02Å; F774-W802 HydrophobicContact CE2-CD2 4.32Å; F774-W802 AromaticContact CZ-CD2 3.58Å; F774-W802 HydrophobicContact CZ-CD2 3.58Å; F774-W802 AromaticContact CZ-CE2 3.65Å; F774-W802 AromaticContact CZ-CE3 3.63Å; F774-W802 HydrophobicContact CZ-CE3 3.63Å; F774-W802 HydrophobicContact CZ-CG 4.27Å; F774-W802 AromaticContact CZ-CH2 3.88Å; F774-W802 HydrophobicContact CZ-CH2 3.88Å; F774-W802 AromaticContact CZ-CZ2 3.79Å; F774-W802 HydrophobicContact CZ-CZ2 3.79Å; F774-W802 AromaticContact CZ-CZ3 3.77Å; F774-W802 HydrophobicContact CZ-CZ3 3.77Å; L800-W802 HydrophobicContact CD1-CE3 3.85Å; L800-W802 HydrophobicContact CD1-CZ3 4.46Å; L800-W802 HydrophobicContact CD2-CB 4.3Å; L800-W802 HydrophobicContact CG-CB 4.24Å; L800-W802 HydrophobicContact CG-CE3 4.47Å; W802-Y812 CarbonylContact O-C 3.49Å; W802-Y812 VanDerWaalsContact O-CA 3.28Å; W802-Y812 WeakPolarHBondContact O-CA 3.49Å; W802-Y812 WeakPolarHBondContact O-CB 2.98Å; W802-V813 HydrophobicContact CB-CG1 3.91Å; W802-V813 PolarHBondContact N-O 2.79Å; W802-V813 PolarHBondContact O-N 2.86Å; W802-I839 WeakPolarHBondContact O-CD1 3.4Å; W802-E843 PolarHBondContact NE1-OE2 3.25Å; W802-L844 HydrophobicContact CB-CD2 4.07Å; W802-L844 HydrophobicContact CG-CD2 3.88Å
803	D	96.3	Very high	94.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	-165	172.4	57.4	18.1	0	0	0	109	R544 Y660 R770 F801 G805 N811	R544-D803 IonicContact CZ-OD2 3.46Å; R544-D803 IonicContact NH1-OD2 3.4Å; R544-D803 PolarHBondContact NH1-OD2 3.39Å; R544-D803 IonicContact NH2-OD2 2.68Å; R544-D803 PolarHBondContact NH2-OD2 2.83Å; Y660-D803 WeakPolarHBondContact CE1-OD1 3.27Å; Y660-D803 PolarHBondContact OH-OD1 2.9Å; Y660-D803 PolarHBondContact OH-OD2 3.1Å; R770-D803 PolarHBondContact NH2-O 3.39Å; F801-D803 HydrophobicContact CE1-CB 4.43Å; F801-D803 VanDerWaalsContact CE1-OD2 3.24Å; F801-D803 WeakPolarHBondContact CE1-OD2 3.43Å; F801-D803 HydrophobicContact CZ-CB 4.24Å; F801-D803 VanDerWaalsContact CZ-OD2 3.24Å; F801-D803 WeakPolarHBondContact CZ-OD2 3.36Å; D803-G805 PolarHBondContact O-N 2.69Å; D803-G805 VanDerWaalsContact OD1-CA 3.27Å; D803-G805 WeakPolarHBondContact OD1-CA 3.47Å; D803-G805 PolarHBondContact OD1-N 2.75Å; D803-N811 VanDerWaalsContact CB-O 3.29Å; D803-N811 WeakPolarHBondContact CB-O 2.99Å
804	N	94.1	Very high	95	Very high	66 Å²	66	29.2 Å²	29.2	35%	0.353	17%	0.173	S	C	.	.	S	Bend	trans	-75.2	1.2	176.5	76.9	2.8	0	0	0	114.4	R770 D806 D807 K838	R770-N804 PolarHBondContact NH2-O 3.48Å; N804-D806 PolarHBondContact OD1-N 3.18Å; N804-D807 WeakPolarHBondContact OD1-CA 3.18Å; N804-D807 VanDerWaalsContact OD1-CB 3.22Å; N804-D807 WeakPolarHBondContact OD1-CB 3.44Å; N804-D807 PolarHBondContact OD1-N 3.12Å; N804-K838 WeakPolarHBondContact CB-O 3.5Å
805	G	95.9	Very high	95.2	Very high	5 Å²	5	29.2 Å²	29.2	5%	0.052	17%	0.173	C	C	.	.	S	Bend	trans	88.1	-9.9	178.7	0	0	0	0	0	116.1	P311 Y312 D803	P311-G805 CarbonylContact C-O 3.6Å; P311-G805 WeakPolarHBondContact CA-O 3.36Å; Y312-G805 WeakPolarHBondContact CB-O 3.27Å; Y312-G805 PolarHBondContact N-O 2.77Å; D803-G805 PolarHBondContact O-N 2.69Å; D803-G805 VanDerWaalsContact OD1-CA 3.27Å; D803-G805 WeakPolarHBondContact OD1-CA 3.47Å; D803-G805 PolarHBondContact OD1-N 2.75Å
806	D	93.6	Very high	95.2	Very high	33 Å²	33	30.6 Å²	30.6	18%	0.176	17%	0.173	C	C	.	.	S	Bend	trans	-151.1	15.4	-178.2	-162	12.3	0	0	0	112.1	K543 R544 N804 G808	K543-D806 VanDerWaalsContact CA-O 3.26Å; K543-D806 WeakPolarHBondContact CA-O 3.47Å; K543-D806 WeakPolarHBondContact CD-OD2 3.15Å; R544-D806 PolarHBondContact N-O 3.08Å; R544-D806 PolarHBondContact N-OD1 3.46Å; N804-D806 PolarHBondContact OD1-N 3.18Å; D806-G808 PolarHBondContact O-N 3.28Å
807	D	85.3	Confident	95.2	Very high	8 Å²	8	30.4 Å²	30.4	4%	0.043	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-72.1	112.7	-174	-171.9	4.5	0	0	0	110.9	R544 N804 N809 L810 N811	R544-D807 PolarHBondContact NE-O 3.1Å; R544-D807 PolarHBondContact NH2-O 3.07Å; N804-D807 WeakPolarHBondContact OD1-CA 3.18Å; N804-D807 VanDerWaalsContact OD1-CB 3.22Å; N804-D807 WeakPolarHBondContact OD1-CB 3.44Å; N804-D807 PolarHBondContact OD1-N 3.12Å; D807-N809 PolarHBondContact O-N 3.48Å; D807-N809 WeakPolarHBondContact OD1-CB 3.38Å; D807-N809 PolarHBondContact OD1-N 2.88Å; D807-L810 PolarHBondContact O-N 3.02Å; D807-N811 WeakPolarHBondContact OD2-CA 3.24Å; D807-N811 WeakPolarHBondContact OD2-CB 3.03Å; D807-N811 PolarHBondContact OD2-N 3.48Å; D807-N811 PolarHBondContact OD2-ND2 3.24Å
808	G	85.4	Confident	95.3	Very high	35 Å²	35	30.4 Å²	30.4	36%	0.361	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.7	172.5	0	0	0	0	0	113.6	D542 D806	D542-G808 PolarHBondContact O-N 2.88Å; D542-G808 VanDerWaalsContact O-N 3.11Å; D806-G808 PolarHBondContact O-N 3.28Å
809	N	88.5	Confident	95.3	Very high	104 Å²	104	29.6 Å²	29.6	56%	0.556	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	0.7	-178.1	-61.2	-67.3	0	0	0	114.3	D807 N811	D807-N809 PolarHBondContact O-N 3.48Å; D807-N809 WeakPolarHBondContact OD1-CB 3.38Å; D807-N809 PolarHBondContact OD1-N 2.88Å; N809-N811 PolarHBondContact O-N 2.03Å
810	L	90.8	Very high	95.2	Very high	37 Å²	37	35.4 Å²	35.4	19%	0.194	18%	0.175	C	C	.	.			trans	53.1	49.7	179.1	-60.8	172.9	0	0	0	113.8	I309 Y667 D807 Y812 S831	I309-L810 HydrophobicContact CD1-CD2 3.9Å; Y667-L810 HydrophobicContact CE1-CD1 3.97Å; Y667-L810 HydrophobicContact CE2-CD1 4.47Å; D807-L810 PolarHBondContact O-N 3.02Å; L810-Y812 HydrophobicContact CB-CD1 4.36Å; L810-Y812 WeakPolarHBondContact O-CD1 3.34Å; L810-Y812 PolarHBondContact O-N 2.94Å; L810-S831 PolarHBondContact O-OG 2.89Å
811	N	94.4	Very high	95	Very high	32 Å²	32	39.9 Å²	39.9	17%	0.171	20%	0.199	C	C	.	.			trans	-78.7	109.2	164.2	-62.6	-81	0	0	0	109.1	D803 D807 N809 K838	D803-N811 VanDerWaalsContact CB-O 3.29Å; D803-N811 WeakPolarHBondContact CB-O 2.99Å; D807-N811 WeakPolarHBondContact OD2-CA 3.24Å; D807-N811 WeakPolarHBondContact OD2-CB 3.03Å; D807-N811 PolarHBondContact OD2-N 3.48Å; D807-N811 PolarHBondContact OD2-ND2 3.24Å; N809-N811 PolarHBondContact O-N 2.03Å; N811-K838 HydrophobicContact CB-CB 4.11Å; N811-K838 HydrophobicContact CB-CG 4.04Å
812	Y	96.6	Very high	95	Very high	50 Å²	50	41.2 Å²	41.2	20%	0.196	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	167	-171.9	67.7	-97.4	0	0	0	112.6	Y664 F801 W802 L810 H814 P830 S831 S835	Y664-Y812 HydrophobicContact CE2-CE1 4.44Å; Y664-Y812 HydrophobicContact CE2-CE2 4.13Å; Y664-Y812 AromaticContact CE2-CZ 3.98Å; Y664-Y812 WeakPolarHBondContact OH-CE2 3.33Å; Y664-Y812 PolarHBondContact OH-OH 2.89Å; F801-Y812 HydrophobicContact CD2-CD1 4.46Å; F801-Y812 AromaticContact CD2-CD2 3.79Å; F801-Y812 HydrophobicContact CD2-CD2 3.79Å; F801-Y812 HydrophobicContact CD2-CE2 4.34Å; F801-Y812 AromaticContact CD2-CG 3.88Å; F801-Y812 HydrophobicContact CD2-CG 3.88Å; F801-Y812 VanDerWaalsContact CE2-CB 3.41Å; F801-Y812 AromaticContact CE2-CD1 3.59Å; F801-Y812 HydrophobicContact CE2-CD1 3.59Å; F801-Y812 AromaticContact CE2-CD2 3.71Å; F801-Y812 HydrophobicContact CE2-CD2 3.71Å; F801-Y812 HydrophobicContact CE2-CE1 4.25Å; F801-Y812 HydrophobicContact CE2-CE2 4.34Å; F801-Y812 AromaticContact CE2-CG 3.31Å; F801-Y812 HydrophobicContact CE2-CG 3.31Å; F801-Y812 HydrophobicContact CZ-CD1 4.37Å; F801-Y812 HydrophobicContact CZ-CG 4.19Å; W802-Y812 CarbonylContact O-C 3.49Å; W802-Y812 VanDerWaalsContact O-CA 3.28Å; W802-Y812 WeakPolarHBondContact O-CA 3.49Å; W802-Y812 WeakPolarHBondContact O-CB 2.98Å; L810-Y812 HydrophobicContact CB-CD1 4.36Å; L810-Y812 WeakPolarHBondContact O-CD1 3.34Å; L810-Y812 PolarHBondContact O-N 2.94Å; Y812-H814 HydrophobicContact CD2-CB 4.36Å; Y812-H814 HydrophobicContact CE2-CB 4.11Å; Y812-P830 CarbonylContact O-C 3.54Å; Y812-P830 WeakPolarHBondContact O-CA 3.04Å; Y812-S831 VanDerWaalsContact CE1-CB 3.46Å; Y812-S831 PolarHBondContact N-OG 3.15Å; Y812-S831 VanDerWaalsContact N-OG 3.17Å; Y812-S831 PolarHBondContact O-N 3.32Å; Y812-S831 PolarHBondContact O-OG 3.28Å; Y812-S835 WeakPolarHBondContact O-CB 3.32Å
813	V	97.3	Very high	95	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	129	163.6	62.3	0	0	0	0	108.8	W802 V815 S828 L836 I839 L844	W802-V813 HydrophobicContact CB-CG1 3.91Å; W802-V813 PolarHBondContact N-O 2.79Å; W802-V813 PolarHBondContact O-N 2.86Å; V813-V815 HydrophobicContact CG2-CG2 4.08Å; V813-S828 WeakPolarHBondContact CG2-OG 3.41Å; V813-L836 HydrophobicContact CB-CD2 4.17Å; V813-L836 HydrophobicContact CG1-CD2 4.47Å; V813-L836 HydrophobicContact CG2-CD2 4.41Å; V813-I839 HydrophobicContact CG1-CD1 4.1Å; V813-L844 HydrophobicContact CG1-CD1 4.08Å; V813-L844 HydrophobicContact CG1-CD2 4.03Å
814	H	97.8	Very high	95	Very high	39 Å²	39	42.5 Å²	42.5	18%	0.181	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.5	170.4	-177.8	-110	0	0	0	108.8	Y664 E799 Y812 T829	Y664-H814 AromaticContact CE1-CD2 3.71Å; E799-H814 IonicContact OE2-CD2 3.51Å; E799-H814 IonicContact OE2-CE1 3.85Å; E799-H814 IonicContact OE2-NE2 2.67Å; E799-H814 PolarHBondContact OE2-NE2 3.23Å; Y812-H814 HydrophobicContact CD2-CB 4.36Å; Y812-H814 HydrophobicContact CE2-CB 4.11Å; H814-T829 PolarHBondContact N-O 3.19Å; H814-T829 PolarHBondContact O-N 3.26Å
815	V	98.4	Very high	95.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.4	-179.7	-170.6	0	0	0	0	108.5	E799 L800 V813 F817 V826 T827 L889	E799-V815 CarbonylContact C-O 3.48Å; E799-V815 WeakPolarHBondContact CA-O 3.42Å; L800-V815 HydrophobicContact CB-CB 4.18Å; L800-V815 PolarHBondContact N-O 3.01Å; L800-V815 PolarHBondContact O-N 2.82Å; V813-V815 HydrophobicContact CG2-CG2 4.08Å; V815-F817 HydrophobicContact CB-CE1 4.39Å; V815-F817 HydrophobicContact CB-CZ 4.23Å; V815-F817 HydrophobicContact CG1-CD1 4.21Å; V815-F817 HydrophobicContact CG1-CE1 3.53Å; V815-F817 HydrophobicContact CG1-CZ 3.85Å; V815-V826 HydrophobicContact CG1-CG1 3.56Å; V815-T827 CarbonylContact C-O 3.55Å; V815-T827 VanDerWaalsContact CA-O 3.26Å; V815-T827 WeakPolarHBondContact CA-O 3.21Å; V815-L889 HydrophobicContact CG1-CD2 4.45Å; V815-L889 HydrophobicContact CG2-CB 4.25Å
816	K	98.6	Very high	95.4	Very high	95 Å²	95	41.1 Å²	41.1	41%	0.413	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	132.9	174.6	-172.6	-172.1	-179.4	-152	0	109.9	E818 V826 T827	K816-E818 IonicContact NZ-OE1 3.11Å; K816-E818 IonicContact NZ-OE2 3.79Å; K816-E818 PolarHBondContact NZ-OE2 2.01Å; K816-V826 WeakPolarHBondContact O-CA 3.06Å; K816-T827 PolarHBondContact N-O 2.68Å; K816-T827 PolarHBondContact O-N 3.05Å
817	F	98.6	Very high	95.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.8	172.1	-45.7	-66.2	0	0	0	109.8	I756 P758 L776 S797 G798 L800 V815 L824 V826 L889	I756-F817 HydrophobicContact CB-CB 4.05Å; I756-F817 HydrophobicContact CB-CD2 4.45Å; I756-F817 HydrophobicContact CD1-CB 3.55Å; I756-F817 HydrophobicContact CG1-CB 4.39Å; I756-F817 HydrophobicContact CG2-CB 3.8Å; I756-F817 HydrophobicContact CG2-CD2 3.91Å; I756-F817 HydrophobicContact CG2-CG 3.92Å; P758-F817 HydrophobicContact CB-CE2 4.29Å; P758-F817 HydrophobicContact CG-CE2 4.34Å; L776-F817 HydrophobicContact CD1-CD1 4.39Å; L776-F817 HydrophobicContact CD1-CE1 4.08Å; L776-F817 HydrophobicContact CD2-CE1 3.95Å; L776-F817 HydrophobicContact CD2-CE2 4.39Å; L776-F817 HydrophobicContact CD2-CZ 3.81Å; S797-F817 WeakPolarHBondContact CA-O 3.31Å; G798-F817 PolarHBondContact N-O 3.06Å; G798-F817 VanDerWaalsContact N-O 3.11Å; G798-F817 PolarHBondContact O-N 3.21Å; L800-F817 HydrophobicContact CB-CE2 3.9Å; L800-F817 HydrophobicContact CB-CZ 3.91Å; V815-F817 HydrophobicContact CB-CE1 4.39Å; V815-F817 HydrophobicContact CB-CZ 4.23Å; V815-F817 HydrophobicContact CG1-CD1 4.21Å; V815-F817 HydrophobicContact CG1-CE1 3.53Å; V815-F817 HydrophobicContact CG1-CZ 3.85Å; F817-L824 HydrophobicContact CB-CD1 4.4Å; F817-V826 HydrophobicContact CD1-CB 4.33Å; F817-V826 HydrophobicContact CD1-CG1 3.82Å; F817-V826 HydrophobicContact CD1-CG2 3.91Å; F817-V826 HydrophobicContact CE1-CG1 3.75Å; F817-V826 HydrophobicContact CE1-CG2 4.44Å; F817-L889 HydrophobicContact CE1-CD2 3.95Å; F817-L889 HydrophobicContact CZ-CD1 4.45Å; F817-L889 HydrophobicContact CZ-CD2 4.44Å
818	E	98.6	Very high	96.1	Very high	75 Å²	75	42.5 Å²	42.5	35%	0.35	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	126.2	179.4	-174.4	167.5	-160.7	0	0	111.3	A796 K816 L824 T825	A796-E818 CarbonylContact O-C 3.54Å; A796-E818 WeakPolarHBondContact O-CA 3.14Å; K816-E818 IonicContact NZ-OE1 3.11Å; K816-E818 IonicContact NZ-OE2 3.79Å; K816-E818 PolarHBondContact NZ-OE2 2.01Å; E818-L824 CarbonylContact O-C 3.54Å; E818-L824 WeakPolarHBondContact O-CA 3.37Å; E818-T825 PolarHBondContact N-O 2.95Å; E818-T825 PolarHBondContact O-N 2.59Å
819	V	98.6	Very high	96.7	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124	168.6	172.5	0	0	0	0	109.4	I756 V778 L780 T795 A796 T823 L824 W897	I756-V819 HydrophobicContact CD1-CG2 4.14Å; V778-V819 HydrophobicContact CG1-CG2 3.83Å; L780-V819 HydrophobicContact CD2-CB 4.49Å; L780-V819 HydrophobicContact CD2-CG1 3.88Å; L780-V819 HydrophobicContact CD2-CG2 4.37Å; T795-V819 WeakPolarHBondContact CA-O 3.44Å; A796-V819 HydrophobicContact CB-CB 4.01Å; A796-V819 HydrophobicContact CB-CG2 4.06Å; A796-V819 PolarHBondContact N-O 3.28Å; A796-V819 PolarHBondContact O-N 2.82Å; V819-T823 VanDerWaalsContact CA-O 3.29Å; V819-T823 WeakPolarHBondContact CA-O 3.49Å; V819-L824 HydrophobicContact CG2-CB 3.95Å; V819-L824 HydrophobicContact CG2-CD1 3.87Å; V819-L824 HydrophobicContact CG2-CG 4.5Å; V819-W897 HydrophobicContact CG1-CH2 3.63Å; V819-W897 HydrophobicContact CG1-CZ2 4.03Å; V819-W897 HydrophobicContact CG2-CH2 4.08Å
820	R	97.2	Very high	97.1	Very high	163 Å²	163	42 Å²	42	62%	0.615	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-148.8	141.8	169.9	-160.9	176.9	-146.7	-179	6.6	109.8	R822 T823	R820-R822 VanDerWaalsContact C-N 3.34Å; R820-R822 PolarHBondContact O-N 3.1Å; R820-T823 PolarHBondContact N-O 3.28Å; R820-T823 WeakPolarHBondContact O-CA 3.33Å; R820-T823 VanDerWaalsContact O-CB 3.31Å; R820-T823 WeakPolarHBondContact O-CB 3.26Å; R820-T823 PolarHBondContact O-N 3.28Å
821	D	94.9	Very high	97.3	Very high	93 Å²	93	42.7 Å²	42.7	50%	0.497	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	52.6	177.2	-60.3	-49.3	0	0	0	112.7	G791 T823	G791-D821 WeakPolarHBondContact O-CA 3.3Å; D821-T823 PolarHBondContact O-N 3.16Å; D821-T823 VanDerWaalsContact O-N 3.08Å; D821-T823 PolarHBondContact O-OG1 3.1Å
822	R	95.9	Very high	97.3	Very high	29 Å²	29	43.6 Å²	43.6	11%	0.109	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	28.2	-175.1	-62.3	-172.4	168.3	134.4	10.4	115.5	D784 G786 S787 G791 I794 R820 K896 W897	D784-R822 IonicContact OD1-CZ 3.36Å; D784-R822 IonicContact OD1-NE 2.78Å; D784-R822 PolarHBondContact OD1-NE 2.74Å; D784-R822 IonicContact OD1-NH2 3.06Å; D784-R822 PolarHBondContact OD1-NH2 3.45Å; D784-R822 IonicContact OD2-CZ 2.87Å; D784-R822 IonicContact OD2-NE 3.88Å; D784-R822 PolarHBondContact OD2-NE 2.89Å; D784-R822 IonicContact OD2-NH2 3.73Å; G786-R822 PolarHBondContact O-NH1 2.81Å; G786-R822 PolarHBondContact O-NH2 3.03Å; G786-R822 VanDerWaalsContact O-NH2 3.13Å; S787-R822 PolarHBondContact O-NH2 3.25Å; G791-R822 PolarHBondContact O-N 2.91Å; I794-R822 HydrophobicContact CD1-CG 4.09Å; R820-R822 VanDerWaalsContact C-N 3.34Å; R820-R822 PolarHBondContact O-N 3.1Å; R822-K896 WeakPolarHBondContact O-CA 3.18Å; R822-W897 HydrophobicContact CB-CD2 4.18Å; R822-W897 HydrophobicContact CB-CG 4.31Å; R822-W897 HydrophobicContact CB-CZ2 4.29Å; R822-W897 PolarHBondContact O-N 2.97Å
823	T	97.4	Very high	96.9	Very high	26 Å²	26	48.5 Å²	48.5	16%	0.16	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	114.8	179.7	-53.8	0	0	0	0	109.3	V819 R820 D821 I894 I895 K896	V819-T823 VanDerWaalsContact CA-O 3.29Å; V819-T823 WeakPolarHBondContact CA-O 3.49Å; R820-T823 PolarHBondContact N-O 3.28Å; R820-T823 WeakPolarHBondContact O-CA 3.33Å; R820-T823 VanDerWaalsContact O-CB 3.31Å; R820-T823 WeakPolarHBondContact O-CB 3.26Å; R820-T823 PolarHBondContact O-N 3.28Å; D821-T823 PolarHBondContact O-N 3.16Å; D821-T823 VanDerWaalsContact O-N 3.08Å; D821-T823 PolarHBondContact O-OG1 3.1Å; T823-I894 HydrophobicContact CG2-CB 4.31Å; T823-I895 CarbonylContact C-O 3.54Å; T823-I895 WeakPolarHBondContact CA-O 3.3Å; T823-K896 HydrophobicContact CG2-CD 4.43Å; T823-K896 HydrophobicContact CG2-CG 3.74Å; T823-K896 WeakPolarHBondContact OG1-CG 3.49Å
824	L	97.9	Very high	96.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	120	161.6	171.3	63.1	0	0	0	108.6	I756 V778 F817 E818 V819 V826 I894 I895 W897	I756-L824 HydrophobicContact CD1-CD1 3.75Å; V778-L824 HydrophobicContact CG2-CD2 3.91Å; F817-L824 HydrophobicContact CB-CD1 4.4Å; E818-L824 CarbonylContact O-C 3.54Å; E818-L824 WeakPolarHBondContact O-CA 3.37Å; V819-L824 HydrophobicContact CG2-CB 3.95Å; V819-L824 HydrophobicContact CG2-CD1 3.87Å; V819-L824 HydrophobicContact CG2-CG 4.5Å; L824-V826 HydrophobicContact CD1-CG2 4.4Å; L824-V826 HydrophobicContact CD2-CG2 4.45Å; L824-V826 HydrophobicContact CG-CG2 4.16Å; L824-I894 CarbonylContact O-C 3.56Å; L824-I894 VanDerWaalsContact O-CA 3.3Å; L824-I894 WeakPolarHBondContact O-CA 3.38Å; L824-I895 HydrophobicContact CB-CB 4.22Å; L824-I895 HydrophobicContact CD2-CD1 4.27Å; L824-I895 PolarHBondContact N-O 2.78Å; L824-I895 PolarHBondContact O-N 3.43Å; L824-W897 HydrophobicContact CB-CZ3 4.2Å
825	T	98.4	Very high	96.3	Very high	42 Å²	42	47.9 Å²	47.9	26%	0.258	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.4	171.9	-55.8	0	0	0	0	109	E818 I894	E818-T825 PolarHBondContact N-O 2.95Å; E818-T825 PolarHBondContact O-N 2.59Å; T825-I894 HydrophobicContact CG2-CG2 4.23Å
826	V	98.3	Very high	96	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	115.1	175.1	-177.8	0	0	0	0	108.2	V815 K816 F817 L824 L889 Q892 F893	V815-V826 HydrophobicContact CG1-CG1 3.56Å; K816-V826 WeakPolarHBondContact O-CA 3.06Å; F817-V826 HydrophobicContact CD1-CB 4.33Å; F817-V826 HydrophobicContact CD1-CG1 3.82Å; F817-V826 HydrophobicContact CD1-CG2 3.91Å; F817-V826 HydrophobicContact CE1-CG1 3.75Å; F817-V826 HydrophobicContact CE1-CG2 4.44Å; L824-V826 HydrophobicContact CD1-CG2 4.4Å; L824-V826 HydrophobicContact CD2-CG2 4.45Å; L824-V826 HydrophobicContact CG-CG2 4.16Å; V826-L889 HydrophobicContact CG1-CD2 4.03Å; V826-Q892 VanDerWaalsContact O-CA 3.23Å; V826-Q892 WeakPolarHBondContact O-CA 3.48Å; V826-Q892 VanDerWaalsContact O-CG 3.28Å; V826-Q892 WeakPolarHBondContact O-CG 3.27Å; V826-F893 HydrophobicContact CB-CD1 4.05Å; V826-F893 HydrophobicContact CB-CD2 4.19Å; V826-F893 HydrophobicContact CB-CE1 3.77Å; V826-F893 HydrophobicContact CB-CE2 3.92Å; V826-F893 HydrophobicContact CB-CG 4.26Å; V826-F893 HydrophobicContact CB-CZ 3.71Å; V826-F893 HydrophobicContact CG1-CD1 4.24Å; V826-F893 HydrophobicContact CG1-CE1 3.64Å; V826-F893 HydrophobicContact CG1-CZ 3.81Å; V826-F893 HydrophobicContact CG2-CD2 4Å; V826-F893 HydrophobicContact CG2-CE1 4.08Å; V826-F893 HydrophobicContact CG2-CE2 3.41Å; V826-F893 VanDerWaalsContact CG2-CE2 3.41Å; V826-F893 HydrophobicContact CG2-CZ 3.46Å; V826-F893 VanDerWaalsContact CG2-CZ 3.46Å; V826-F893 PolarHBondContact N-O 3.31Å; V826-F893 PolarHBondContact O-N 3.45Å
827	T	98.3	Very high	95.8	Very high	49 Å²	49	53.6 Å²	53.6	30%	0.301	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.5	-177.6	-56.9	0	0	0	0	109.6	V815 K816	V815-T827 CarbonylContact C-O 3.55Å; V815-T827 VanDerWaalsContact CA-O 3.26Å; V815-T827 WeakPolarHBondContact CA-O 3.21Å; K816-T827 PolarHBondContact N-O 2.68Å; K816-T827 PolarHBondContact O-N 3.05Å
828	S	97.3	Very high	95.5	Very high	22 Å²	22	59.6 Å²	59.6	15%	0.154	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.4	180	171	0	0	0	0	110.4	V813 L889 S890	V813-S828 WeakPolarHBondContact CG2-OG 3.41Å; S828-L889 VanDerWaalsContact CB-O 3.23Å; S828-L889 WeakPolarHBondContact CB-O 3.48Å; S828-L889 PolarHBondContact OG-O 3.39Å; S828-S890 PolarHBondContact OG-O 3.21Å; S828-S890 VanDerWaalsContact OG-O 3.1Å
829	T	97.5	Very high	95.3	Very high	78 Å²	78	56.5 Å²	56.5	48%	0.479	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	98.8	-178	-48.8	0	0	0	0	109.9	H814	H814-T829 PolarHBondContact N-O 3.19Å; H814-T829 PolarHBondContact O-N 3.26Å
830	P	96.3	Very high	95	Very high	49 Å²	49	60 Å²	60	32%	0.318	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	144.3	171.1	-21.3	33.7	0	0	0	111.7	Y812 S832 L836	Y812-P830 CarbonylContact O-C 3.54Å; Y812-P830 WeakPolarHBondContact O-CA 3.04Å; P830-S832 VanDerWaalsContact C-N 3.28Å; P830-S832 WeakPolarHBondContact CB-O 3.31Å; P830-S832 PolarHBondContact O-N 3.2Å; P830-L836 HydrophobicContact CB-CG 4.34Å; P830-L836 HydrophobicContact CG-CD1 3.85Å; P830-L836 HydrophobicContact CG-CG 3.93Å
831	S	95.2	Very high	94.8	Very high	52 Å²	52	56.3 Å²	56.3	36%	0.364	32%	0.318	S	S	.	.	S	Bend	trans	-69.7	-27.5	178.7	68.3	0	0	0	0	112.7	L810 Y812 S835	L810-S831 PolarHBondContact O-OG 2.89Å; Y812-S831 VanDerWaalsContact CE1-CB 3.46Å; Y812-S831 PolarHBondContact N-OG 3.15Å; Y812-S831 VanDerWaalsContact N-OG 3.17Å; Y812-S831 PolarHBondContact O-N 3.32Å; Y812-S831 PolarHBondContact O-OG 3.28Å; S831-S835 PolarHBondContact OG-OG 3.24Å
832	S	93.5	Very high	94.6	Very high	51 Å²	51	58.6 Å²	58.6	36%	0.357	32%	0.323	S	S	.	.	S	Bend	trans	-148.3	164.9	173.1	76.3	0	0	0	0	111.2	P830 G834 S835	P830-S832 VanDerWaalsContact C-N 3.28Å; P830-S832 WeakPolarHBondContact CB-O 3.31Å; P830-S832 PolarHBondContact O-N 3.2Å; S832-G834 PolarHBondContact O-N 3.37Å; S832-S835 PolarHBondContact N-OG 2.76Å; S832-S835 WeakPolarHBondContact O-CB 3.29Å; S832-S835 PolarHBondContact O-N 3.49Å; S832-S835 VanDerWaalsContact O-N 3.07Å; S832-S835 PolarHBondContact O-OG 2.66Å; S832-S835 PolarHBondContact OG-N 3.42Å; S832-S835 PolarHBondContact OG-OG 3.36Å
833	V	89.4	Confident	94.5	Very high	154 Å²	154	57.9 Å²	57.9	93%	0.933	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-34.5	-179.6	178.2	0	0	0	0	112.5
834	G	90.3	Very high	94.4	Very high	26 Å²	26	56.7 Å²	56.7	27%	0.268	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	0.3	-179.7	0	0	0	0	0	115	S832 L836 E837	S832-G834 PolarHBondContact O-N 3.37Å; G834-L836 VanDerWaalsContact C-N 3.34Å; G834-L836 PolarHBondContact O-N 3.38Å; G834-E837 WeakPolarHBondContact O-CB 3.47Å; G834-E837 PolarHBondContact O-N 3.16Å; G834-E837 VanDerWaalsContact O-N 3.13Å
835	S	91.8	Very high	94.2	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-63	-39.3	-171.4	-67.9	0	0	0	0	113.2	Y812 S831 S832 E837 K838	Y812-S835 WeakPolarHBondContact O-CB 3.32Å; S831-S835 PolarHBondContact OG-OG 3.24Å; S832-S835 PolarHBondContact N-OG 2.76Å; S832-S835 WeakPolarHBondContact O-CB 3.29Å; S832-S835 PolarHBondContact O-N 3.49Å; S832-S835 VanDerWaalsContact O-N 3.07Å; S832-S835 PolarHBondContact O-OG 2.66Å; S832-S835 PolarHBondContact OG-N 3.42Å; S832-S835 PolarHBondContact OG-OG 3.36Å; S835-E837 PolarHBondContact O-N 3.14Å; S835-K838 WeakPolarHBondContact O-CB 3.48Å; S835-K838 PolarHBondContact O-N 2.86Å; S835-K838 VanDerWaalsContact O-N 3.11Å
836	L	92.6	Very high	94	Very high	45 Å²	45	57 Å²	57	24%	0.236	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-67.3	-21.5	179.3	-71.5	177.6	0	0	0	113.3	V813 P830 G834 K838 I839 L841 L844	V813-L836 HydrophobicContact CB-CD2 4.17Å; V813-L836 HydrophobicContact CG1-CD2 4.47Å; V813-L836 HydrophobicContact CG2-CD2 4.41Å; P830-L836 HydrophobicContact CB-CG 4.34Å; P830-L836 HydrophobicContact CG-CD1 3.85Å; P830-L836 HydrophobicContact CG-CG 3.93Å; G834-L836 VanDerWaalsContact C-N 3.34Å; G834-L836 PolarHBondContact O-N 3.38Å; L836-K838 PolarHBondContact O-N 2.55Å; L836-I839 PolarHBondContact O-N 2.76Å; L836-I839 VanDerWaalsContact O-O 3.11Å; L836-L841 HydrophobicContact CB-CD2 4.24Å; L836-L841 HydrophobicContact CD2-CD2 4.15Å; L836-L844 HydrophobicContact CD2-CD1 4.21Å
837	E	93.3	Very high	93.6	Very high	170 Å²	170	61.5 Å²	61.5	79%	0.794	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-74.2	-18.9	175.8	-58.8	179	173.2	0	0	112.2	G834 S835	G834-E837 WeakPolarHBondContact O-CB 3.47Å; G834-E837 PolarHBondContact O-N 3.16Å; G834-E837 VanDerWaalsContact O-N 3.13Å; S835-E837 PolarHBondContact O-N 3.14Å
838	K	92.8	Very high	93.3	Very high	126 Å²	126	61.2 Å²	61.2	55%	0.548	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-88	-8.5	177.1	-59.7	-60.2	-173	174.9	0	113.2	N804 N811 S835 L836	N804-K838 WeakPolarHBondContact CB-O 3.5Å; N811-K838 HydrophobicContact CB-CB 4.11Å; N811-K838 HydrophobicContact CB-CG 4.04Å; S835-K838 WeakPolarHBondContact O-CB 3.48Å; S835-K838 PolarHBondContact O-N 2.86Å; S835-K838 VanDerWaalsContact O-N 3.11Å; L836-K838 PolarHBondContact O-N 2.55Å
839	I	94	Very high	93.2	Very high	9 Å²	9	60.1 Å²	60.1	5%	0.046	32%	0.324	C	S	.	.	S	Bend	trans	-112.7	135.4	-176.2	-56.5	172.4	0	0	0	108.4	W802 V813 L836 L841 L844	W802-I839 WeakPolarHBondContact O-CD1 3.4Å; V813-I839 HydrophobicContact CG1-CD1 4.1Å; L836-I839 PolarHBondContact O-N 2.76Å; L836-I839 VanDerWaalsContact O-O 3.11Å; I839-L841 PolarHBondContact O-N 3.24Å; I839-L841 VanDerWaalsContact O-N 3.08Å; I839-L844 HydrophobicContact CG2-CD1 4.26Å
840	D	93.7	Very high	93.1	Very high	75 Å²	75	58.7 Å²	58.7	40%	0.401	31%	0.313	S	S	.	.			trans	-68.7	108.4	168	179.6	-4	0	0	0	108.8	K842 E843	D840-K842 PolarHBondContact O-N 3.01Å; D840-K842 WeakPolarHBondContact OD1-CB 3.45Å; D840-K842 PolarHBondContact OD1-N 2.86Å; D840-E843 HydrophobicContact CB-CG 4.01Å; D840-E843 VanDerWaalsContact O-CB 3.25Å; D840-E843 WeakPolarHBondContact O-CB 3.18Å; D840-E843 WeakPolarHBondContact O-CG 3.46Å; D840-E843 PolarHBondContact O-N 2.76Å
841	L	92.6	Very high	93.1	Very high	86 Å²	86	56.4 Å²	56.4	45%	0.45	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-58.7	-21.5	-176.1	-64.4	179.4	0	0	0	113.7	L836 I839 E843 L844	L836-L841 HydrophobicContact CB-CD2 4.24Å; L836-L841 HydrophobicContact CD2-CD2 4.15Å; I839-L841 PolarHBondContact O-N 3.24Å; I839-L841 VanDerWaalsContact O-N 3.08Å; L841-E843 PolarHBondContact O-N 2.85Å; L841-L844 HydrophobicContact CD2-CD1 4.31Å; L841-L844 PolarHBondContact O-N 2.84Å
842	K	90.9	Very high	93.1	Very high	141 Å²	141	54 Å²	54	61%	0.613	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-67.4	-26.9	174.5	-66.9	-178.2	179.1	177.4	0	112.5	D840 L844 D845	D840-K842 PolarHBondContact O-N 3.01Å; D840-K842 WeakPolarHBondContact OD1-CB 3.45Å; D840-K842 PolarHBondContact OD1-N 2.86Å; K842-L844 PolarHBondContact O-N 2.8Å; K842-D845 WeakPolarHBondContact O-CB 3.27Å; K842-D845 PolarHBondContact O-N 2.95Å
843	E	93.5	Very high	93.2	Very high	15 Å²	15	51.6 Å²	51.6	7%	0.07	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-62.2	-29.3	174.3	-59.7	-175.8	158.2	0	0	111.1	R770 G773 F774 W802 D840 L841 D845	R770-E843 HydrophobicContact CB-CG 4.37Å; R770-E843 IonicContact CZ-OE1 3.86Å; R770-E843 IonicContact CZ-OE2 3.74Å; R770-E843 IonicContact NE-OE1 3.61Å; R770-E843 PolarHBondContact NE-OE1 2.85Å; R770-E843 IonicContact NE-OE2 2.62Å; R770-E843 IonicContact NH2-OE1 3.78Å; R770-E843 PolarHBondContact NH2-OE1 2.82Å; R770-E843 IonicContact NH2-OE2 3.79Å; R770-E843 PolarHBondContact NH2-OE2 2.95Å; R770-E843 VanDerWaalsContact O-CA 3.29Å; R770-E843 WeakPolarHBondContact O-CA 3.32Å; R770-E843 WeakPolarHBondContact O-CB 3.43Å; R770-E843 WeakPolarHBondContact O-CG 3.47Å; G773-E843 WeakPolarHBondContact CA-O 3.39Å; F774-E843 WeakPolarHBondContact CD2-O 3.32Å; F774-E843 WeakPolarHBondContact CE2-O 3.44Å; W802-E843 PolarHBondContact NE1-OE2 3.25Å; D840-E843 HydrophobicContact CB-CG 4.01Å; D840-E843 VanDerWaalsContact O-CB 3.25Å; D840-E843 WeakPolarHBondContact O-CB 3.18Å; D840-E843 WeakPolarHBondContact O-CG 3.46Å; D840-E843 PolarHBondContact O-N 2.76Å; L841-E843 PolarHBondContact O-N 2.85Å; E843-D845 VanDerWaalsContact C-N 3.32Å; E843-D845 PolarHBondContact O-N 3.26Å
844	L	94.7	Very high	93.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-86.3	3.6	-179	-64.5	169.7	0	0	0	113.6	F774 W802 V813 L836 I839 L841 K842 T888 L889	F774-L844 HydrophobicContact CE2-CD2 4.13Å; W802-L844 HydrophobicContact CB-CD2 4.07Å; W802-L844 HydrophobicContact CG-CD2 3.88Å; V813-L844 HydrophobicContact CG1-CD1 4.08Å; V813-L844 HydrophobicContact CG1-CD2 4.03Å; L836-L844 HydrophobicContact CD2-CD1 4.21Å; I839-L844 HydrophobicContact CG2-CD1 4.26Å; L841-L844 HydrophobicContact CD2-CD1 4.31Å; L841-L844 PolarHBondContact O-N 2.84Å; K842-L844 PolarHBondContact O-N 2.8Å; L844-T888 CarbonylContact O-C 3.5Å; L844-T888 WeakPolarHBondContact O-CA 3.34Å; L844-T888 PolarHBondContact O-OG1 2.97Å; L844-L889 HydrophobicContact CB-CB 4.22Å; L844-L889 HydrophobicContact CD2-CB 4.11Å; L844-L889 PolarHBondContact O-N 3.35Å
845	D	93.6	Very high	93.5	Very high	47 Å²	47	46.4 Å²	46.4	25%	0.251	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-63.4	135.8	176.5	-79.1	-5.8	0	0	0	111.4	G773 F774 K842 E843 K847	G773-D845 CarbonylContact C-O 3.46Å; G773-D845 VanDerWaalsContact CA-O 3.3Å; G773-D845 WeakPolarHBondContact CA-O 3.3Å; F774-D845 PolarHBondContact N-O 3.37Å; K842-D845 WeakPolarHBondContact O-CB 3.27Å; K842-D845 PolarHBondContact O-N 2.95Å; E843-D845 VanDerWaalsContact C-N 3.32Å; E843-D845 PolarHBondContact O-N 3.26Å; D845-K847 HydrophobicContact CB-CD 4.28Å; D845-K847 VanDerWaalsContact CB-NZ 3.3Å; D845-K847 IonicContact OD2-NZ 2.78Å; D845-K847 PolarHBondContact OD2-NZ 3Å
846	V	93.9	Very high	93.6	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	118.2	171.9	-175.2	0	0	0	0	108.9	F774 I849 Q884 L887 L889 F893	F774-V846 CarbonylContact O-C 3.6Å; V846-I849 HydrophobicContact CG1-CD1 3.98Å; V846-I849 HydrophobicContact CG1-CG1 3.68Å; V846-Q884 VanDerWaalsContact CG1-OE1 3.31Å; V846-Q884 VanDerWaalsContact O-CB 3.27Å; V846-Q884 WeakPolarHBondContact O-CB 3.42Å; V846-L887 HydrophobicContact CB-CB 3.98Å; V846-L887 HydrophobicContact CG2-CB 4.28Å; V846-L887 PolarHBondContact N-O 3.43Å; V846-L889 HydrophobicContact CG2-CD2 3.54Å; V846-L889 HydrophobicContact CG2-CG 3.73Å; V846-F893 HydrophobicContact CG2-CE1 4.41Å; V846-F893 HydrophobicContact CG2-CZ 4.17Å
847	K	90.6	Very high	93.7	Very high	96 Å²	96	54.6 Å²	54.6	42%	0.417	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-34	180	-56.9	-50.1	-176.9	-170.3	0	112.6	K772 F774 D845	K772-K847 WeakPolarHBondContact O-CE 3.5Å; K772-K847 WeakPolarHBondContact O-CG 3.46Å; F774-K847 PolarHBondContact O-N 3.32Å; D845-K847 HydrophobicContact CB-CD 4.28Å; D845-K847 VanDerWaalsContact CB-NZ 3.3Å; D845-K847 IonicContact OD2-NZ 2.78Å; D845-K847 PolarHBondContact OD2-NZ 3Å
848	T	91.9	Very high	93.8	Very high	42 Å²	42	46.6 Å²	46.6	26%	0.258	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	150.3	179.5	-162.2	0	0	0	0	111.7	F774 G775 L776 Q880	F774-T848 PolarHBondContact O-N 3.02Å; G775-T848 CarbonylContact C-O 3.49Å; G775-T848 VanDerWaalsContact CA-O 3.28Å; G775-T848 WeakPolarHBondContact CA-O 3.39Å; L776-T848 PolarHBondContact N-O 3.42Å; T848-Q880 PolarHBondContact OG1-NE2 3.34Å
849	I	94.7	Very high	94	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	123.9	170.5	-59.6	-178.4	0	0	0	106.8	L776 V778 V846 I851 Q880 I881 L887 F893 I895	L776-I849 HydrophobicContact CB-CG1 4.17Å; L776-I849 HydrophobicContact CB-CG2 4.45Å; L776-I849 HydrophobicContact CD1-CD1 4.19Å; L776-I849 HydrophobicContact CD1-CG1 4.28Å; L776-I849 HydrophobicContact CG-CG1 4.43Å; L776-I849 WeakPolarHBondContact O-CA 3.28Å; V778-I849 HydrophobicContact CG2-CG2 4.2Å; V846-I849 HydrophobicContact CG1-CD1 3.98Å; V846-I849 HydrophobicContact CG1-CG1 3.68Å; I849-I851 HydrophobicContact CG2-CG1 4.21Å; I849-Q880 WeakPolarHBondContact O-CA 3.41Å; I849-I881 HydrophobicContact CB-CD1 4.2Å; I849-I881 HydrophobicContact CG2-CD1 4.15Å; I849-I881 PolarHBondContact O-N 2.79Å; I849-L887 HydrophobicContact CD1-CD1 4.39Å; I849-F893 HydrophobicContact CD1-CE2 4.32Å; I849-I895 HydrophobicContact CD1-CD1 3.24Å
850	L	95.5	Very high	94	Very high	48 Å²	48	47.5 Å²	47.5	25%	0.251	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	116	177.9	-178	65.3	0	0	0	108.2	L776 F777 V778 T878 Q880	L776-L850 PolarHBondContact O-N 2.87Å; F777-L850 HydrophobicContact CD2-CB 4.11Å; F777-L850 HydrophobicContact CD2-CD2 3.76Å; F777-L850 HydrophobicContact CD2-CG 4.05Å; F777-L850 HydrophobicContact CE2-CD2 3.53Å; F777-L850 HydrophobicContact CE2-CG 4.05Å; V778-L850 PolarHBondContact N-O 3.26Å; L850-T878 HydrophobicContact CD1-CG2 4.26Å; L850-Q880 HydrophobicContact CD1-CB 3.96Å; L850-Q880 HydrophobicContact CD1-CG 4.5Å
851	I	96.5	Very high	94.1	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.5	176.9	-52.5	176	0	0	0	108.3	V778 L780 I849 F854 T878 S879 I881 W897	V778-I851 HydrophobicContact CB-CG1 4.23Å; V778-I851 HydrophobicContact CG1-CG2 4.38Å; V778-I851 CarbonylContact O-C 3.6Å; V778-I851 WeakPolarHBondContact O-CA 3.37Å; L780-I851 HydrophobicContact CD1-CG2 4.16Å; L780-I851 HydrophobicContact CD2-CG2 4.38Å; L780-I851 HydrophobicContact CG-CG2 4.17Å; I849-I851 HydrophobicContact CG2-CG1 4.21Å; I851-F854 HydrophobicContact CB-CE2 4.28Å; I851-F854 HydrophobicContact CB-CZ 4.15Å; I851-F854 HydrophobicContact CD1-CE2 4.49Å; I851-F854 HydrophobicContact CD1-CZ 4.17Å; I851-F854 HydrophobicContact CG2-CD1 4.45Å; I851-F854 HydrophobicContact CG2-CE1 3.78Å; I851-F854 HydrophobicContact CG2-CE2 4.17Å; I851-F854 HydrophobicContact CG2-CZ 3.59Å; I851-T878 CarbonylContact O-C 3.55Å; I851-T878 VanDerWaalsContact O-CA 3.23Å; I851-T878 WeakPolarHBondContact O-CA 3.42Å; I851-S879 PolarHBondContact N-O 3.33Å; I851-S879 PolarHBondContact O-N 3.25Å; I851-I881 HydrophobicContact CD1-CD1 4.43Å; I851-W897 HydrophobicContact CD1-CE3 3.99Å; I851-W897 HydrophobicContact CD1-CZ3 3.96Å
852	V	95.9	Very high	94.3	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.7	-177.7	-171	0	0	0	0	110.8	I723 F777 V778 I779 L780 T878	I723-V852 HydrophobicContact CD1-CG1 3.86Å; I723-V852 HydrophobicContact CG1-CG1 4.33Å; F777-V852 HydrophobicContact CD2-CG2 3.87Å; F777-V852 HydrophobicContact CE2-CG2 3.11Å; F777-V852 HydrophobicContact CZ-CG2 3.66Å; V778-V852 PolarHBondContact O-N 3.41Å; I779-V852 HydrophobicContact CG1-CB 4.47Å; I779-V852 HydrophobicContact CG1-CG2 4.26Å; I779-V852 HydrophobicContact CG2-CB 4.4Å; L780-V852 WeakPolarHBondContact CB-O 3.35Å; L780-V852 VanDerWaalsContact CG-O 3.31Å; L780-V852 WeakPolarHBondContact CG-O 3.39Å; L780-V852 PolarHBondContact N-O 2.99Å; V852-T878 HydrophobicContact CB-CG2 4.3Å; V852-T878 HydrophobicContact CG1-CG2 4.13Å; V852-T878 HydrophobicContact CG2-CG2 3.94Å
853	G	94.6	Very high	94.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	111.8	28.4	177.8	0	0	0	0	0	113.5	T783 D784 E877	T783-G853 CarbonylContact C-O 3.54Å; T783-G853 VanDerWaalsContact CA-O 3.3Å; T783-G853 WeakPolarHBondContact CA-O 3.45Å; D784-G853 PolarHBondContact N-O 2.03Å; G853-E877 PolarHBondContact N-O 3.08Å
854	F	95.1	Very high	94.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	111.7	171	-69.9	-10.8	0	0	0	109.8	L780 D784 I851 K856 P858 I861 F872 E877 S879 W897 F899	L780-F854 HydrophobicContact CD1-CD1 3.88Å; L780-F854 HydrophobicContact CD1-CE1 3.68Å; D784-F854 HydrophobicContact CB-CD1 4.12Å; D784-F854 HydrophobicContact CB-CE1 4.49Å; I851-F854 HydrophobicContact CB-CE2 4.28Å; I851-F854 HydrophobicContact CB-CZ 4.15Å; I851-F854 HydrophobicContact CD1-CE2 4.49Å; I851-F854 HydrophobicContact CD1-CZ 4.17Å; I851-F854 HydrophobicContact CG2-CD1 4.45Å; I851-F854 HydrophobicContact CG2-CE1 3.78Å; I851-F854 HydrophobicContact CG2-CE2 4.17Å; I851-F854 HydrophobicContact CG2-CZ 3.59Å; F854-K856 VanDerWaalsContact C-N 3.3Å; F854-K856 PolarHBondContact O-N 2.8Å; F854-P858 HydrophobicContact CD2-CG 3.43Å; F854-P858 VanDerWaalsContact CD2-CG 3.43Å; F854-P858 HydrophobicContact CE2-CG 3.52Å; F854-P858 HydrophobicContact CG-CG 4.34Å; F854-P858 HydrophobicContact CZ-CG 4.47Å; F854-I861 HydrophobicContact CE2-CD1 4.49Å; F854-F872 HydrophobicContact CB-CD2 4.5Å; F854-F872 HydrophobicContact CB-CE2 3.93Å; F854-F872 WeakPolarHBondContact O-CE2 3.49Å; F854-E877 PolarHBondContact N-O 3.08Å; F854-E877 CarbonylContact O-C 3.46Å; F854-E877 VanDerWaalsContact O-CA 3.28Å; F854-E877 WeakPolarHBondContact O-CA 3.31Å; F854-E877 VanDerWaalsContact O-CB 3.29Å; F854-E877 WeakPolarHBondContact O-CB 3.32Å; F854-S879 VanDerWaalsContact CD2-OG 3.3Å; F854-S879 WeakPolarHBondContact CD2-OG 3.29Å; F854-W897 AromaticContact CE1-CD1 3.76Å; F854-W897 HydrophobicContact CE1-CD2 4.11Å; F854-W897 AromaticContact CE1-CE2 3.67Å; F854-W897 HydrophobicContact CE1-CG 4.15Å; F854-W897 HydrophobicContact CE1-CZ2 4.18Å; F854-W897 AromaticContact CE1-NE1 3.44Å; F854-W897 HydrophobicContact CE2-CG 4.44Å; F854-W897 HydrophobicContact CZ-CB 4.23Å; F854-W897 AromaticContact CZ-CD1 3.65Å; F854-W897 AromaticContact CZ-CD2 3.65Å; F854-W897 HydrophobicContact CZ-CD2 3.65Å; F854-W897 AromaticContact CZ-CE2 3.72Å; F854-W897 HydrophobicContact CZ-CE3 4.29Å; F854-W897 AromaticContact CZ-CG 3.6Å; F854-W897 HydrophobicContact CZ-CG 3.6Å; F854-W897 HydrophobicContact CZ-CZ2 4.39Å; F854-W897 AromaticContact CZ-NE1 3.71Å; F854-F899 HydrophobicContact CB-CZ 4.21Å; F854-F899 HydrophobicContact CD1-CE2 4.36Å; F854-F899 AromaticContact CD1-CZ 3.94Å; F854-F899 HydrophobicContact CD1-CZ 3.94Å; F854-F899 HydrophobicContact CD2-CZ 4.26Å; F854-F899 HydrophobicContact CE1-CE2 4.43Å; F854-F899 HydrophobicContact CE1-CZ 4.34Å; F854-F899 AromaticContact CG-CZ 3.9Å; F854-F899 HydrophobicContact CG-CZ 3.9Å
855	I	92.2	Very high	94.3	Very high	71 Å²	71	42.6 Å²	42.6	36%	0.364	22%	0.216	S	C	.	.	S	Bend	trans	-72.3	-27.2	-179.6	-73.6	165.3	0	0	0	111.9	T783 D784 D785	T783-I855 HydrophobicContact CG2-CD1 4.04Å; T783-I855 HydrophobicContact CG2-CG1 4.03Å; T783-I855 WeakPolarHBondContact OG1-CD1 3.42Å; D784-I855 PolarHBondContact O-N 3.4Å; D784-I855 VanDerWaalsContact O-N 3.13Å; D785-I855 HydrophobicContact CB-CD1 4.18Å
856	K	92.8	Very high	94.3	Very high	84 Å²	84	47.7 Å²	47.7	37%	0.365	24%	0.236	S	C	.	.	S	Bend	trans	-130.8	168.7	177.2	68.9	-176.7	-173	-171.7	0	109.9	D785 F854 P858 F872 F899	D785-K856 WeakPolarHBondContact O-CE 3.43Å; D785-K856 PolarHBondContact O-NZ 3.22Å; D785-K856 VanDerWaalsContact O-NZ 3.15Å; F854-K856 VanDerWaalsContact C-N 3.3Å; F854-K856 PolarHBondContact O-N 2.8Å; K856-P858 WeakPolarHBondContact O-CD 3.37Å; K856-F872 VanDerWaalsContact O-CE2 3.28Å; K856-F872 WeakPolarHBondContact O-CE2 3.26Å; K856-F899 HydrophobicContact CD-CD1 4.14Å; K856-F899 HydrophobicContact CG-CD1 3.62Å; K856-F899 HydrophobicContact CG-CE1 3.68Å; K856-F899 VanDerWaalsContact O-CE1 3.22Å; K856-F899 WeakPolarHBondContact O-CE1 3.32Å
857	K	95.5	Very high	94.2	Very high	132 Å²	132	51.9 Å²	51.9	57%	0.574	26%	0.263	S	S	*	.			trans	-69.9	126.8	176.5	-172.9	174.4	177.8	179.6	0	110.5	F870 F872	K857-F870 HydrophobicContact CG-CE2 4.14Å; K857-F872 HydrophobicContact CB-CB 4.32Å; K857-F872 HydrophobicContact CB-CD1 3.6Å; K857-F872 HydrophobicContact CB-CE1 3.99Å; K857-F872 HydrophobicContact CB-CG 3.89Å; K857-F872 HydrophobicContact CD-CB 4.29Å; K857-F872 HydrophobicContact CD-CD1 4.49Å; K857-F872 HydrophobicContact CG-CB 3.82Å; K857-F872 HydrophobicContact CG-CD1 4.03Å; K857-F872 HydrophobicContact CG-CG 3.96Å
858	P	95.4	Very high	94.4	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.019	26%	0.255	C	S	.	.			trans	-57.1	147.4	169	-23.6	32.3	0	0	0	111.5	F854 K856 I861 F870 K898 F899	F854-P858 HydrophobicContact CD2-CG 3.43Å; F854-P858 VanDerWaalsContact CD2-CG 3.43Å; F854-P858 HydrophobicContact CE2-CG 3.52Å; F854-P858 HydrophobicContact CG-CG 4.34Å; F854-P858 HydrophobicContact CZ-CG 4.47Å; K856-P858 WeakPolarHBondContact O-CD 3.37Å; P858-I861 HydrophobicContact CB-CG1 4.21Å; P858-I861 HydrophobicContact CG-CD1 4.44Å; P858-F870 HydrophobicContact CB-CE2 4.13Å; P858-F870 HydrophobicContact CB-CZ 4.05Å; P858-F870 HydrophobicContact CG-CE2 4.2Å; P858-F870 VanDerWaalsContact O-CZ 3.29Å; P858-F870 WeakPolarHBondContact O-CZ 3.29Å; P858-K898 CarbonylContact C-O 3.43Å; P858-K898 WeakPolarHBondContact CA-O 3.49Å; P858-K898 WeakPolarHBondContact CB-O 2.96Å; P858-F899 VanDerWaalsContact CA-CE1 3.49Å; P858-F899 HydrophobicContact CB-CD1 4.45Å; P858-F899 HydrophobicContact CB-CE1 4.06Å; P858-F899 HydrophobicContact CB-CZ 4.35Å; P858-F899 HydrophobicContact CG-CE1 3.78Å; P858-F899 HydrophobicContact CG-CZ 3.83Å
859	T	96	Very high	94.4	Very high	95 Å²	95	53.3 Å²	53.3	58%	0.583	28%	0.275	S	S	*	.	S	Bend	trans	-76.1	-35	171.9	49.5	0	0	0	0	111	K898 F899	T859-K898 PolarHBondContact N-O 2.78Å; T859-K898 PolarHBondContact OG1-O 2.64Å; T859-F899 WeakPolarHBondContact CG2-OXT 3.3Å
860	E	95.6	Very high	94.4	Very high	59 Å²	59	55.1 Å²	55.1	28%	0.276	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	141.4	-177.2	-174.6	179.9	-127	0	0	110.4	L862 P867 W897 K898	E860-L862 VanDerWaalsContact CD-CD2 3.44Å; E860-L862 HydrophobicContact CG-CD2 3.86Å; E860-L862 HydrophobicContact CG-CG 4.1Å; E860-P867 HydrophobicContact CG-CB 4.48Å; E860-P867 WeakPolarHBondContact OE1-CG 3.2Å; E860-W897 WeakPolarHBondContact O-CA 2.99Å; E860-K898 PolarHBondContact O-N 3.34Å; E860-K898 IonicContact OE2-NZ 3.48Å; E860-K898 PolarHBondContact OE2-NZ 2.91Å
861	I	95.8	Very high	94.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131	164	-58.4	-175.8	0	0	0	107.6	F854 P858 P867 V868 F870 I881 I895 K896 W897	F854-I861 HydrophobicContact CE2-CD1 4.49Å; P858-I861 HydrophobicContact CB-CG1 4.21Å; P858-I861 HydrophobicContact CG-CD1 4.44Å; I861-P867 WeakPolarHBondContact O-CA 3.17Å; I861-V868 HydrophobicContact CB-CG2 4.14Å; I861-V868 HydrophobicContact CG2-CG2 3.95Å; I861-V868 WeakPolarHBondContact O-CG2 2.97Å; I861-V868 PolarHBondContact O-N 3.41Å; I861-F870 HydrophobicContact CB-CD1 3.99Å; I861-F870 HydrophobicContact CB-CE1 4.33Å; I861-F870 HydrophobicContact CD1-CB 3.88Å; I861-F870 HydrophobicContact CD1-CD1 3.82Å; I861-F870 HydrophobicContact CD1-CD2 3.89Å; I861-F870 HydrophobicContact CD1-CE1 4.36Å; I861-F870 HydrophobicContact CD1-CE2 4.41Å; I861-F870 HydrophobicContact CD1-CG 3.58Å; I861-F870 HydrophobicContact CG1-CD1 3.75Å; I861-F870 HydrophobicContact CG1-CD2 4.46Å; I861-F870 HydrophobicContact CG1-CE1 3.93Å; I861-F870 HydrophobicContact CG1-CG 4.05Å; I861-F870 HydrophobicContact CG1-CZ 4.36Å; I861-I881 HydrophobicContact CD1-CG1 4.36Å; I861-I881 HydrophobicContact CG2-CD1 3.95Å; I861-I881 HydrophobicContact CG2-CG1 4.29Å; I861-I895 HydrophobicContact CG2-CG2 3.7Å; I861-K896 CarbonylContact C-O 3.45Å; I861-K896 WeakPolarHBondContact CA-O 3.15Å; I861-W897 HydrophobicContact CG1-CB 4.13Å
862	L	94.9	Very high	94.4	Very high	15 Å²	15	58.9 Å²	58.9	8%	0.079	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.8	-178.3	-61.3	172.5	0	0	0	109.8	E860 K866 P867 I895 K896	E860-L862 VanDerWaalsContact CD-CD2 3.44Å; E860-L862 HydrophobicContact CG-CD2 3.86Å; E860-L862 HydrophobicContact CG-CG 4.1Å; L862-K866 CarbonylContact C-O 3.51Å; L862-K866 VanDerWaalsContact CA-O 3.28Å; L862-K866 WeakPolarHBondContact CA-O 3.29Å; L862-P867 HydrophobicContact CD2-CB 4.25Å; L862-P867 HydrophobicContact CD2-CG 3.8Å; L862-I895 CarbonylContact O-C 3.53Å; L862-I895 VanDerWaalsContact O-CA 3.25Å; L862-I895 WeakPolarHBondContact O-CA 3.49Å; L862-K896 HydrophobicContact CB-CB 4.28Å; L862-K896 PolarHBondContact N-O 3.32Å; L862-K896 PolarHBondContact O-N 2.88Å
863	V	94.1	Very high	94.3	Very high	17 Å²	17	61.7 Å²	61.7	10%	0.103	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119.7	167.7	174.9	0	0	0	0	108.2	N865 K866 V868 L887 I895	V863-N865 PolarHBondContact O-N 3.36Å; V863-K866 PolarHBondContact N-O 3.4Å; V863-K866 PolarHBondContact O-N 2.84Å; V863-V868 HydrophobicContact CB-CG1 3.83Å; V863-V868 HydrophobicContact CG2-CB 4.36Å; V863-V868 HydrophobicContact CG2-CG1 3.69Å; V863-V868 HydrophobicContact CG2-CG2 3.75Å; V863-L887 HydrophobicContact CG1-CD1 3.72Å; V863-L887 HydrophobicContact CG1-CD2 3.77Å; V863-L887 HydrophobicContact CG1-CG 4.12Å; V863-L887 HydrophobicContact CG2-CD1 4.49Å; V863-I895 HydrophobicContact CG2-CD1 4.26Å; V863-I895 HydrophobicContact CG2-CG1 4.15Å; V863-I895 HydrophobicContact CG2-CG2 4.41Å
864	N	93.4	Very high	94.2	Very high	78 Å²	78	66.4 Å²	66.4	42%	0.417	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	45.5	-174.2	-66.8	-25.4	0	0	0	112.5	K866 F893 I894	N864-K866 PolarHBondContact O-N 3.23Å; N864-F893 WeakPolarHBondContact OD1-CA 3.19Å; N864-F893 WeakPolarHBondContact OD1-CB 3.46Å; N864-I894 PolarHBondContact N-O 2.72Å; N864-I894 PolarHBondContact OD1-N 2.85Å
865	N	92.8	Very high	94.1	Very high	104 Å²	104	72.9 Å²	72.9	56%	0.556	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	15.8	-176.9	-52.6	-45.2	0	0	0	115.6	V863	V863-N865 PolarHBondContact O-N 3.36Å
866	K	93	Very high	94	Very high	154 Å²	154	72.5 Å²	72.5	67%	0.67	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.4	172.1	-65.7	-174.5	178.8	-178.2	0	110.5	L862 V863 N864	L862-K866 CarbonylContact C-O 3.51Å; L862-K866 VanDerWaalsContact CA-O 3.28Å; L862-K866 WeakPolarHBondContact CA-O 3.29Å; V863-K866 PolarHBondContact N-O 3.4Å; V863-K866 PolarHBondContact O-N 2.84Å; N864-K866 PolarHBondContact O-N 3.23Å
867	P	93.1	Very high	94.1	Very high	88 Å²	88	71.2 Å²	71.2	57%	0.571	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.5	142.1	175.4	-21.4	32	0	0	0	111.8	E860 I861 L862	E860-P867 HydrophobicContact CG-CB 4.48Å; E860-P867 WeakPolarHBondContact OE1-CG 3.2Å; I861-P867 WeakPolarHBondContact O-CA 3.17Å; L862-P867 HydrophobicContact CD2-CB 4.25Å; L862-P867 HydrophobicContact CD2-CG 3.8Å
868	V	93	Very high	94.1	Very high	41 Å²	41	65.7 Å²	65.7	25%	0.248	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	154.2	176.2	-65.1	0	0	0	0	111	I861 V863 I881	I861-V868 HydrophobicContact CB-CG2 4.14Å; I861-V868 HydrophobicContact CG2-CG2 3.95Å; I861-V868 WeakPolarHBondContact O-CG2 2.97Å; I861-V868 PolarHBondContact O-N 3.41Å; V863-V868 HydrophobicContact CB-CG1 3.83Å; V863-V868 HydrophobicContact CG2-CB 4.36Å; V863-V868 HydrophobicContact CG2-CG1 3.69Å; V863-V868 HydrophobicContact CG2-CG2 3.75Å; V868-I881 HydrophobicContact CB-CG2 4.35Å; V868-I881 HydrophobicContact CG2-CG2 3.71Å
869	D	92.9	Very high	94.1	Very high	128 Å²	128	65.6 Å²	65.6	68%	0.684	35%	0.345	S	S	*	.			trans	-73.1	145.1	171.9	-67.8	-35.8	0	0	0	111.1	K882	D869-K882 HydrophobicContact CB-CB 4.2Å; D869-K882 HydrophobicContact CB-CD 4.4Å; D869-K882 PolarHBondContact O-N 3.37Å
870	F	94.6	Very high	94.1	Very high	38 Å²	38	64.5 Å²	64.5	17%	0.167	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	158.1	176	60.7	-83.5	0	0	0	111.1	K857 P858 I861 Q880	K857-F870 HydrophobicContact CG-CE2 4.14Å; P858-F870 HydrophobicContact CB-CE2 4.13Å; P858-F870 HydrophobicContact CB-CZ 4.05Å; P858-F870 HydrophobicContact CG-CE2 4.2Å; P858-F870 VanDerWaalsContact O-CZ 3.29Å; P858-F870 WeakPolarHBondContact O-CZ 3.29Å; I861-F870 HydrophobicContact CB-CD1 3.99Å; I861-F870 HydrophobicContact CB-CE1 4.33Å; I861-F870 HydrophobicContact CD1-CB 3.88Å; I861-F870 HydrophobicContact CD1-CD1 3.82Å; I861-F870 HydrophobicContact CD1-CD2 3.89Å; I861-F870 HydrophobicContact CD1-CE1 4.36Å; I861-F870 HydrophobicContact CD1-CE2 4.41Å; I861-F870 HydrophobicContact CD1-CG 3.58Å; I861-F870 HydrophobicContact CG1-CD1 3.75Å; I861-F870 HydrophobicContact CG1-CD2 4.46Å; I861-F870 HydrophobicContact CG1-CE1 3.93Å; I861-F870 HydrophobicContact CG1-CG 4.05Å; I861-F870 HydrophobicContact CG1-CZ 4.36Å; F870-Q880 CarbonylContact C-O 3.33Å; F870-Q880 WeakPolarHBondContact CA-O 3.45Å; F870-Q880 WeakPolarHBondContact CB-O 3.44Å
871	M	95.6	Very high	94	Very high	83 Å²	83	61.9 Å²	61.9	41%	0.409	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.9	169.4	-66.9	-175.6	-57.7	0	0	108.6	S879 Q880 K882	M871-S879 CarbonylContact O-C 3.5Å; M871-S879 VanDerWaalsContact O-CA 3.26Å; M871-S879 WeakPolarHBondContact O-CA 3.24Å; M871-Q880 PolarHBondContact N-O 2.9Å; M871-Q880 PolarHBondContact O-N 2.87Å; M871-K882 HydrophobicContact CG-CD 4.13Å; M871-K882 HydrophobicContact CG-CG 4.48Å; M871-K882 VanDerWaalsContact CG-NZ 3.35Å; M871-K882 WeakPolarHBondContact SD-CE 3.19Å; M871-K882 PolarHBondContact SD-NZ 2.84Å
872	F	96	Very high	93.2	Very high	44 Å²	44	66.7 Å²	66.7	19%	0.193	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.7	173.5	173.6	-107.9	0	0	0	108.7	F854 K856 K857 N874 T878	F854-F872 HydrophobicContact CB-CD2 4.5Å; F854-F872 HydrophobicContact CB-CE2 3.93Å; F854-F872 WeakPolarHBondContact O-CE2 3.49Å; K856-F872 VanDerWaalsContact O-CE2 3.28Å; K856-F872 WeakPolarHBondContact O-CE2 3.26Å; K857-F872 HydrophobicContact CB-CB 4.32Å; K857-F872 HydrophobicContact CB-CD1 3.6Å; K857-F872 HydrophobicContact CB-CE1 3.99Å; K857-F872 HydrophobicContact CB-CG 3.89Å; K857-F872 HydrophobicContact CD-CB 4.29Å; K857-F872 HydrophobicContact CD-CD1 4.49Å; K857-F872 HydrophobicContact CG-CB 3.82Å; K857-F872 HydrophobicContact CG-CD1 4.03Å; K857-F872 HydrophobicContact CG-CG 3.96Å; F872-N874 HydrophobicContact CD1-CB 4.42Å; F872-N874 HydrophobicContact CE1-CB 3.68Å; F872-N874 HydrophobicContact CZ-CB 4.25Å; F872-T878 WeakPolarHBondContact CA-O 3.5Å; F872-T878 WeakPolarHBondContact CD2-O 3.42Å
873	D	95.2	Very high	91.9	Very high	62 Å²	62	73.2 Å²	73.2	33%	0.332	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.9	169.9	-170.3	-49.3	0	0	0	108.1	D875 L876 E877 T878	D873-D875 PolarHBondContact OD1-N 2.78Å; D873-L876 HydrophobicContact CB-CB 4.35Å; D873-L876 PolarHBondContact OD1-N 2.91Å; D873-E877 WeakPolarHBondContact O-CA 3.48Å; D873-E877 PolarHBondContact O-N 2.76Å; D873-E877 VanDerWaalsContact O-N 3.07Å; D873-T878 PolarHBondContact N-O 3.41Å; D873-T878 PolarHBondContact O-N 2.85Å
874	N	92.7	Very high	90.6	Very high	99 Å²	99	73 Å²	73	53%	0.529	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-31.5	-177.1	-172.6	80.1	0	0	0	112.6	F872	F872-N874 HydrophobicContact CD1-CB 4.42Å; F872-N874 HydrophobicContact CE1-CB 3.68Å; F872-N874 HydrophobicContact CZ-CB 4.25Å
875	D	91.5	Very high	89.2	Confident	136 Å²	136	73.7 Å²	73.7	73%	0.727	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-32.4	-174.1	-66.6	-17.9	0	0	0	111.2	D873	D873-D875 PolarHBondContact OD1-N 2.78Å
876	L	91.3	Very high	88.4	Confident	63 Å²	63	76.6 Å²	76.6	33%	0.33	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-4.3	175.3	-60.6	-179.8	0	0	0	113.2	S727 D873 T878	S727-L876 WeakPolarHBondContact O-CD2 3.41Å; D873-L876 HydrophobicContact CB-CB 4.35Å; D873-L876 PolarHBondContact OD1-N 2.91Å; L876-T878 VanDerWaalsContact C-N 3.26Å; L876-T878 HydrophobicContact CB-CG2 3.93Å; L876-T878 VanDerWaalsContact O-CG2 3.27Å; L876-T878 WeakPolarHBondContact O-CG2 3.46Å; L876-T878 PolarHBondContact O-N 3.34Å
877	E	94.5	Very high	88.3	Confident	57 Å²	57	70 Å²	70	27%	0.266	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	43	-175.7	-59.9	-179.3	167.1	0	0	112.3	G853 F854 D873	G853-E877 PolarHBondContact N-O 3.08Å; F854-E877 PolarHBondContact N-O 3.08Å; F854-E877 CarbonylContact O-C 3.46Å; F854-E877 VanDerWaalsContact O-CA 3.28Å; F854-E877 WeakPolarHBondContact O-CA 3.31Å; F854-E877 VanDerWaalsContact O-CB 3.29Å; F854-E877 WeakPolarHBondContact O-CB 3.32Å; D873-E877 WeakPolarHBondContact O-CA 3.48Å; D873-E877 PolarHBondContact O-N 2.76Å; D873-E877 VanDerWaalsContact O-N 3.07Å
878	T	95.2	Very high	88.4	Confident	16 Å²	16	66.9 Å²	66.9	10%	0.098	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	154.2	-175.6	67.7	0	0	0	0	113.6	L850 I851 V852 F872 D873 L876	L850-T878 HydrophobicContact CD1-CG2 4.26Å; I851-T878 CarbonylContact O-C 3.55Å; I851-T878 VanDerWaalsContact O-CA 3.23Å; I851-T878 WeakPolarHBondContact O-CA 3.42Å; V852-T878 HydrophobicContact CB-CG2 4.3Å; V852-T878 HydrophobicContact CG1-CG2 4.13Å; V852-T878 HydrophobicContact CG2-CG2 3.94Å; F872-T878 WeakPolarHBondContact CA-O 3.5Å; F872-T878 WeakPolarHBondContact CD2-O 3.42Å; D873-T878 PolarHBondContact N-O 3.41Å; D873-T878 PolarHBondContact O-N 2.85Å; L876-T878 VanDerWaalsContact C-N 3.26Å; L876-T878 HydrophobicContact CB-CG2 3.93Å; L876-T878 VanDerWaalsContact O-CG2 3.27Å; L876-T878 WeakPolarHBondContact O-CG2 3.46Å; L876-T878 PolarHBondContact O-N 3.34Å
879	S	96.1	Very high	88.5	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	121.4	164.7	-78.3	0	0	0	0	111.5	I851 F854 M871	I851-S879 PolarHBondContact N-O 3.33Å; I851-S879 PolarHBondContact O-N 3.25Å; F854-S879 VanDerWaalsContact CD2-OG 3.3Å; F854-S879 WeakPolarHBondContact CD2-OG 3.29Å; M871-S879 CarbonylContact O-C 3.5Å; M871-S879 VanDerWaalsContact O-CA 3.26Å; M871-S879 WeakPolarHBondContact O-CA 3.24Å
880	Q	95.5	Very high	88.6	Confident	72 Å²	72	59.7 Å²	59.7	34%	0.336	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121	174.2	-168.2	-178	23.7	0	0	110	T848 I849 L850 F870 M871	T848-Q880 PolarHBondContact OG1-NE2 3.34Å; I849-Q880 WeakPolarHBondContact O-CA 3.41Å; L850-Q880 HydrophobicContact CD1-CB 3.96Å; L850-Q880 HydrophobicContact CD1-CG 4.5Å; F870-Q880 CarbonylContact C-O 3.33Å; F870-Q880 WeakPolarHBondContact CA-O 3.45Å; F870-Q880 WeakPolarHBondContact CB-O 3.44Å; M871-Q880 PolarHBondContact N-O 2.9Å; M871-Q880 PolarHBondContact O-N 2.87Å
881	I	93.1	Very high	88.5	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.021	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	128.6	177.7	-56.3	174.2	0	0	0	109.3	I849 I851 I861 V868 Q884 I895	I849-I881 HydrophobicContact CB-CD1 4.2Å; I849-I881 HydrophobicContact CG2-CD1 4.15Å; I849-I881 PolarHBondContact O-N 2.79Å; I851-I881 HydrophobicContact CD1-CD1 4.43Å; I861-I881 HydrophobicContact CD1-CG1 4.36Å; I861-I881 HydrophobicContact CG2-CD1 3.95Å; I861-I881 HydrophobicContact CG2-CG1 4.29Å; V868-I881 HydrophobicContact CB-CG2 4.35Å; V868-I881 HydrophobicContact CG2-CG2 3.71Å; I881-Q884 VanDerWaalsContact CB-NE2 3.3Å; I881-Q884 HydrophobicContact CG2-CG 4.48Å; I881-I895 HydrophobicContact CD1-CD1 3.79Å; I881-I895 HydrophobicContact CD1-CG2 3.7Å
882	K	78.8	Confident	88.5	Confident	101 Å²	101	66.9 Å²	66.9	44%	0.439	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-85.7	151.8	-179.9	-76.5	179.2	160.4	162.2	0	112	D869 M871	D869-K882 HydrophobicContact CB-CB 4.2Å; D869-K882 HydrophobicContact CB-CD 4.4Å; D869-K882 PolarHBondContact O-N 3.37Å; M871-K882 HydrophobicContact CG-CD 4.13Å; M871-K882 HydrophobicContact CG-CG 4.48Å; M871-K882 VanDerWaalsContact CG-NZ 3.35Å; M871-K882 WeakPolarHBondContact SD-CE 3.19Å; M871-K882 PolarHBondContact SD-NZ 2.84Å
883	N	67.2	Low	88.5	Confident	153 Å²	153	65 Å²	65	82%	0.818	34%	0.336	S	S	*	.			trans	55.7	69	165.4	-143.7	12.6	0	0	0	115.1	S885	N883-S885 PolarHBondContact O-N 3.24Å
884	Q	67.9	Low	88.6	Confident	12 Å²	12	63.8 Å²	63.8	6%	0.056	33%	0.329	C	S	.	.			trans	-93.2	17.6	-173.9	-65.6	-115	-18.6	0	0	114.2	V846 I881 L886 L887	V846-Q884 VanDerWaalsContact CG1-OE1 3.31Å; V846-Q884 VanDerWaalsContact O-CB 3.27Å; V846-Q884 WeakPolarHBondContact O-CB 3.42Å; I881-Q884 VanDerWaalsContact CB-NE2 3.3Å; I881-Q884 HydrophobicContact CG2-CG 4.48Å; Q884-L886 PolarHBondContact O-N 3.43Å; Q884-L887 PolarHBondContact O-N 3.37Å
885	S	63.6	Low	88.8	Confident	92 Å²	92	59 Å²	59	64%	0.643	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-1.9	-170.8	58	0	0	0	0	115.9	N883	N883-S885 PolarHBondContact O-N 3.24Å
886	L	75.1	Confident	89	Confident	165 Å²	165	56 Å²	56	86%	0.864	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-5.9	177.6	-63.2	173	0	0	0	113.7	Q884	Q884-L886 PolarHBondContact O-N 3.43Å
887	L	92.5	Very high	89.2	Confident	16 Å²	16	53.3 Å²	53.3	8%	0.084	27%	0.269	C	S	.	.			trans	-93.4	134.1	178.5	-70.9	-178.5	0	0	0	110.8	V846 I849 V863 Q884 F893 I895	V846-L887 HydrophobicContact CB-CB 3.98Å; V846-L887 HydrophobicContact CG2-CB 4.28Å; V846-L887 PolarHBondContact N-O 3.43Å; I849-L887 HydrophobicContact CD1-CD1 4.39Å; V863-L887 HydrophobicContact CG1-CD1 3.72Å; V863-L887 HydrophobicContact CG1-CD2 3.77Å; V863-L887 HydrophobicContact CG1-CG 4.12Å; V863-L887 HydrophobicContact CG2-CD1 4.49Å; Q884-L887 PolarHBondContact O-N 3.37Å; L887-F893 HydrophobicContact CD1-CD2 4.16Å; L887-F893 HydrophobicContact CD1-CE2 4.08Å; L887-F893 HydrophobicContact CD2-CB 3.92Å; L887-F893 HydrophobicContact CD2-CD1 4.11Å; L887-F893 HydrophobicContact CD2-CD2 3.94Å; L887-F893 HydrophobicContact CD2-CE2 4.46Å; L887-F893 HydrophobicContact CD2-CG 3.73Å; L887-I895 HydrophobicContact CD1-CD1 4.49Å
888	T	94.3	Very high	89.2	Confident	22 Å²	22	55.3 Å²	55.3	14%	0.135	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-139.4	138.3	178.8	174.8	0	0	0	0	109.1	L844 S890 K891	L844-T888 CarbonylContact O-C 3.5Å; L844-T888 WeakPolarHBondContact O-CA 3.34Å; L844-T888 PolarHBondContact O-OG1 2.97Å; T888-S890 WeakPolarHBondContact CG2-OG 3.49Å; T888-S890 PolarHBondContact O-N 3.33Å; T888-S890 PolarHBondContact OG1-N 3.35Å; T888-S890 PolarHBondContact OG1-OG 3.21Å; T888-K891 HydrophobicContact CG2-CB 4.25Å; T888-K891 HydrophobicContact CG2-CD 4.16Å; T888-K891 HydrophobicContact CG2-CG 4.15Å; T888-K891 PolarHBondContact O-N 3.29Å
889	L	95.4	Very high	89.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-6.5	175.3	-59.9	-174.3	0	0	0	112.7	F774 L776 L800 V815 F817 V826 S828 L844 V846 K891 F893	F774-L889 HydrophobicContact CB-CD1 4.05Å; F774-L889 HydrophobicContact CD2-CD1 3.54Å; F774-L889 HydrophobicContact CD2-CG 4.42Å; F774-L889 HydrophobicContact CE2-CD1 4.12Å; F774-L889 HydrophobicContact CG-CD1 3.79Å; L776-L889 HydrophobicContact CD1-CD2 4.3Å; L800-L889 HydrophobicContact CD2-CD1 3.46Å; L800-L889 VanDerWaalsContact CD2-CD1 3.46Å; V815-L889 HydrophobicContact CG1-CD2 4.45Å; V815-L889 HydrophobicContact CG2-CB 4.25Å; F817-L889 HydrophobicContact CE1-CD2 3.95Å; F817-L889 HydrophobicContact CZ-CD1 4.45Å; F817-L889 HydrophobicContact CZ-CD2 4.44Å; V826-L889 HydrophobicContact CG1-CD2 4.03Å; S828-L889 VanDerWaalsContact CB-O 3.23Å; S828-L889 WeakPolarHBondContact CB-O 3.48Å; S828-L889 PolarHBondContact OG-O 3.39Å; L844-L889 HydrophobicContact CB-CB 4.22Å; L844-L889 HydrophobicContact CD2-CB 4.11Å; L844-L889 PolarHBondContact O-N 3.35Å; V846-L889 HydrophobicContact CG2-CD2 3.54Å; V846-L889 HydrophobicContact CG2-CG 3.73Å; L889-K891 PolarHBondContact O-N 3.36Å; L889-F893 HydrophobicContact CD2-CE1 4.06Å; L889-F893 HydrophobicContact CD2-CZ 4.13Å
890	S	93.9	Very high	88.7	Confident	18 Å²	18	60.2 Å²	60.2	13%	0.126	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-16.8	169.4	63.2	0	0	0	0	113.4	S828 T888	S828-S890 PolarHBondContact OG-O 3.21Å; S828-S890 VanDerWaalsContact OG-O 3.1Å; T888-S890 WeakPolarHBondContact CG2-OG 3.49Å; T888-S890 PolarHBondContact O-N 3.33Å; T888-S890 PolarHBondContact OG1-N 3.35Å; T888-S890 PolarHBondContact OG1-OG 3.21Å
891	K	93.8	Very high	88.4	Confident	143 Å²	143	59.5 Å²	59.5	62%	0.622	30%	0.297	S	S	*	.	S	Bend	trans	-128.5	155.5	-175	-65.5	179.2	-176.6	176	0	111.4	T888 L889 F893	T888-K891 HydrophobicContact CG2-CB 4.25Å; T888-K891 HydrophobicContact CG2-CD 4.16Å; T888-K891 HydrophobicContact CG2-CG 4.15Å; T888-K891 PolarHBondContact O-N 3.29Å; L889-K891 PolarHBondContact O-N 3.36Å; K891-F893 WeakPolarHBondContact O-CD1 3.37Å
892	Q	95.9	Very high	88.1	Confident	129 Å²	129	62.6 Å²	62.6	60%	0.603	31%	0.312	S	S	*	.			trans	-71.2	138.5	172	-177.1	175.2	-2	0	0	111	V826	V826-Q892 VanDerWaalsContact O-CA 3.23Å; V826-Q892 WeakPolarHBondContact O-CA 3.48Å; V826-Q892 VanDerWaalsContact O-CG 3.28Å; V826-Q892 WeakPolarHBondContact O-CG 3.27Å
893	F	96.2	Very high	88.7	Confident	5 Å²	5	60.4 Å²	60.4	2%	0.022	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	164.3	169.2	61.2	-90.8	0	0	0	111.1	V826 V846 I849 N864 L887 L889 K891 I895	V826-F893 HydrophobicContact CB-CD1 4.05Å; V826-F893 HydrophobicContact CB-CD2 4.19Å; V826-F893 HydrophobicContact CB-CE1 3.77Å; V826-F893 HydrophobicContact CB-CE2 3.92Å; V826-F893 HydrophobicContact CB-CG 4.26Å; V826-F893 HydrophobicContact CB-CZ 3.71Å; V826-F893 HydrophobicContact CG1-CD1 4.24Å; V826-F893 HydrophobicContact CG1-CE1 3.64Å; V826-F893 HydrophobicContact CG1-CZ 3.81Å; V826-F893 HydrophobicContact CG2-CD2 4Å; V826-F893 HydrophobicContact CG2-CE1 4.08Å; V826-F893 HydrophobicContact CG2-CE2 3.41Å; V826-F893 VanDerWaalsContact CG2-CE2 3.41Å; V826-F893 HydrophobicContact CG2-CZ 3.46Å; V826-F893 VanDerWaalsContact CG2-CZ 3.46Å; V826-F893 PolarHBondContact N-O 3.31Å; V826-F893 PolarHBondContact O-N 3.45Å; V846-F893 HydrophobicContact CG2-CE1 4.41Å; V846-F893 HydrophobicContact CG2-CZ 4.17Å; I849-F893 HydrophobicContact CD1-CE2 4.32Å; N864-F893 WeakPolarHBondContact OD1-CA 3.19Å; N864-F893 WeakPolarHBondContact OD1-CB 3.46Å; L887-F893 HydrophobicContact CD1-CD2 4.16Å; L887-F893 HydrophobicContact CD1-CE2 4.08Å; L887-F893 HydrophobicContact CD2-CB 3.92Å; L887-F893 HydrophobicContact CD2-CD1 4.11Å; L887-F893 HydrophobicContact CD2-CD2 3.94Å; L887-F893 HydrophobicContact CD2-CE2 4.46Å; L887-F893 HydrophobicContact CD2-CG 3.73Å; L889-F893 HydrophobicContact CD2-CE1 4.06Å; L889-F893 HydrophobicContact CD2-CZ 4.13Å; K891-F893 WeakPolarHBondContact O-CD1 3.37Å; F893-I895 HydrophobicContact CD2-CD1 4.47Å; F893-I895 HydrophobicContact CD2-CG1 4.2Å; F893-I895 HydrophobicContact CE2-CD1 4.16Å; F893-I895 HydrophobicContact CE2-CG1 4.32Å
894	I	96.8	Very high	90	Very high	36 Å²	36	54.6 Å²	54.6	19%	0.185	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	147	177.6	60.2	171.5	0	0	0	111.2	T823 L824 T825 N864	T823-I894 HydrophobicContact CG2-CB 4.31Å; L824-I894 CarbonylContact O-C 3.56Å; L824-I894 VanDerWaalsContact O-CA 3.3Å; L824-I894 WeakPolarHBondContact O-CA 3.38Å; T825-I894 HydrophobicContact CG2-CG2 4.23Å; N864-I894 PolarHBondContact N-O 2.72Å; N864-I894 PolarHBondContact OD1-N 2.85Å
895	I	96.5	Very high	91.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	123.7	172.2	-51.4	-171.6	0	0	0	108.6	T823 L824 I849 I861 L862 V863 I881 L887 F893	T823-I895 CarbonylContact C-O 3.54Å; T823-I895 WeakPolarHBondContact CA-O 3.3Å; L824-I895 HydrophobicContact CB-CB 4.22Å; L824-I895 HydrophobicContact CD2-CD1 4.27Å; L824-I895 PolarHBondContact N-O 2.78Å; L824-I895 PolarHBondContact O-N 3.43Å; I849-I895 HydrophobicContact CD1-CD1 3.24Å; I861-I895 HydrophobicContact CG2-CG2 3.7Å; L862-I895 CarbonylContact O-C 3.53Å; L862-I895 VanDerWaalsContact O-CA 3.25Å; L862-I895 WeakPolarHBondContact O-CA 3.49Å; V863-I895 HydrophobicContact CG2-CD1 4.26Å; V863-I895 HydrophobicContact CG2-CG1 4.15Å; V863-I895 HydrophobicContact CG2-CG2 4.41Å; I881-I895 HydrophobicContact CD1-CD1 3.79Å; I881-I895 HydrophobicContact CD1-CG2 3.7Å; L887-I895 HydrophobicContact CD1-CD1 4.49Å; F893-I895 HydrophobicContact CD2-CD1 4.47Å; F893-I895 HydrophobicContact CD2-CG1 4.2Å; F893-I895 HydrophobicContact CE2-CD1 4.16Å; F893-I895 HydrophobicContact CE2-CG1 4.32Å
896	K	96.3	Very high	93.5	Very high	73 Å²	73	54.9 Å²	54.9	32%	0.317	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	144.9	178.7	-65.6	-179.5	171.7	168.8	0	109.9	R822 T823 I861 L862	R822-K896 WeakPolarHBondContact O-CA 3.18Å; T823-K896 HydrophobicContact CG2-CD 4.43Å; T823-K896 HydrophobicContact CG2-CG 3.74Å; T823-K896 WeakPolarHBondContact OG1-CG 3.49Å; I861-K896 CarbonylContact C-O 3.45Å; I861-K896 WeakPolarHBondContact CA-O 3.15Å; L862-K896 HydrophobicContact CB-CB 4.28Å; L862-K896 PolarHBondContact N-O 3.32Å; L862-K896 PolarHBondContact O-N 2.88Å
897	W	95.7	Very high	94.9	Very high	5 Å²	5	46.5 Å²	46.5	2%	0.019	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	152.5	172.5	56.4	91.6	0	0	0	111.5	L780 D784 I794 V819 R822 L824 I851 F854 E860 I861 F899	L780-W897 HydrophobicContact CD1-CZ2 4.4Å; L780-W897 HydrophobicContact CD2-CH2 4.17Å; L780-W897 HydrophobicContact CD2-CZ2 4.05Å; D784-W897 PolarHBondContact OD2-NE1 2.8Å; I794-W897 HydrophobicContact CD1-CZ2 3.81Å; V819-W897 HydrophobicContact CG1-CH2 3.63Å; V819-W897 HydrophobicContact CG1-CZ2 4.03Å; V819-W897 HydrophobicContact CG2-CH2 4.08Å; R822-W897 HydrophobicContact CB-CD2 4.18Å; R822-W897 HydrophobicContact CB-CG 4.31Å; R822-W897 HydrophobicContact CB-CZ2 4.29Å; R822-W897 PolarHBondContact O-N 2.97Å; L824-W897 HydrophobicContact CB-CZ3 4.2Å; I851-W897 HydrophobicContact CD1-CE3 3.99Å; I851-W897 HydrophobicContact CD1-CZ3 3.96Å; F854-W897 AromaticContact CE1-CD1 3.76Å; F854-W897 HydrophobicContact CE1-CD2 4.11Å; F854-W897 AromaticContact CE1-CE2 3.67Å; F854-W897 HydrophobicContact CE1-CG 4.15Å; F854-W897 HydrophobicContact CE1-CZ2 4.18Å; F854-W897 AromaticContact CE1-NE1 3.44Å; F854-W897 HydrophobicContact CE2-CG 4.44Å; F854-W897 HydrophobicContact CZ-CB 4.23Å; F854-W897 AromaticContact CZ-CD1 3.65Å; F854-W897 AromaticContact CZ-CD2 3.65Å; F854-W897 HydrophobicContact CZ-CD2 3.65Å; F854-W897 AromaticContact CZ-CE2 3.72Å; F854-W897 HydrophobicContact CZ-CE3 4.29Å; F854-W897 AromaticContact CZ-CG 3.6Å; F854-W897 HydrophobicContact CZ-CG 3.6Å; F854-W897 HydrophobicContact CZ-CZ2 4.39Å; F854-W897 AromaticContact CZ-NE1 3.71Å; E860-W897 WeakPolarHBondContact O-CA 2.99Å; I861-W897 HydrophobicContact CG1-CB 4.13Å; W897-F899 AromaticContact CD1-CE2 3.6Å
898	K	93.9	Very high	95.1	Very high	100 Å²	100	49 Å²	49	44%	0.435	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	155.9	179.5	-60.6	178.2	-167.4	154	0	110.3	P858 T859 E860	P858-K898 CarbonylContact C-O 3.43Å; P858-K898 WeakPolarHBondContact CA-O 3.49Å; P858-K898 WeakPolarHBondContact CB-O 2.96Å; T859-K898 PolarHBondContact N-O 2.78Å; T859-K898 PolarHBondContact OG1-O 2.64Å; E860-K898 PolarHBondContact O-N 3.34Å; E860-K898 IonicContact OE2-NZ 3.48Å; E860-K898 PolarHBondContact OE2-NZ 2.91Å
899	F	92.1	Very high	95.1	Very high	57 Å²	57	51.5 Å²	51.5	25%	0.25	23%	0.234	C	C	.	.			trans	-129.9	0	-176.3	-79.9	-70.6	0	0	0	112.3	D784 G786 F854 K856 P858 T859 W897	D784-F899 HydrophobicContact CB-CE2 4.13Å; D784-F899 VanDerWaalsContact CG-CE2 3.49Å; D784-F899 WeakPolarHBondContact OD2-CE2 3.4Å; G786-F899 VanDerWaalsContact CA-CG 3.46Å; F854-F899 HydrophobicContact CB-CZ 4.21Å; F854-F899 HydrophobicContact CD1-CE2 4.36Å; F854-F899 AromaticContact CD1-CZ 3.94Å; F854-F899 HydrophobicContact CD1-CZ 3.94Å; F854-F899 HydrophobicContact CD2-CZ 4.26Å; F854-F899 HydrophobicContact CE1-CE2 4.43Å; F854-F899 HydrophobicContact CE1-CZ 4.34Å; F854-F899 AromaticContact CG-CZ 3.9Å; F854-F899 HydrophobicContact CG-CZ 3.9Å; K856-F899 HydrophobicContact CD-CD1 4.14Å; K856-F899 HydrophobicContact CG-CD1 3.62Å; K856-F899 HydrophobicContact CG-CE1 3.68Å; K856-F899 VanDerWaalsContact O-CE1 3.22Å; K856-F899 WeakPolarHBondContact O-CE1 3.32Å; P858-F899 VanDerWaalsContact CA-CE1 3.49Å; P858-F899 HydrophobicContact CB-CD1 4.45Å; P858-F899 HydrophobicContact CB-CE1 4.06Å; P858-F899 HydrophobicContact CB-CZ 4.35Å; P858-F899 HydrophobicContact CG-CE1 3.78Å; P858-F899 HydrophobicContact CG-CZ 3.83Å; T859-F899 WeakPolarHBondContact CG2-OXT 3.3Å; W897-F899 AromaticContact CD1-CE2 3.6Å

Retrieved 899 of 899 residues in 1182.8 ms (Link to these results)

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