A0A3Q0KM57_SCHMA Loading...

Glucan 1,4-alpha-glucosidase

AlphaFold DB , UniProt , Accession A0A3Q0KM57, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 908 aa.

						>A0A3Q0KM57_SCHMA|A0A3Q0KM57
MSLIFLHKLSILILLFLLENTRPTSNLFKQCEKISQVERLDCHPEQHATRSECESRGCCWIPKSALDDDGLPMCFFPKSYPTYQIYSSQKTERGSIVQLYKSNPKYYRNEIKNISFEVRQETSTRLRLRFTIPSQLNRWEPSLPLGRLEDTPIANVQYNVSMESSPFGLKIMRNNQKQDVILDSTGSLTSSLIISNQFLQITFHVNAQKGFGPGEIEKVFPNPLNKWMRLGFWSHDGIPQPNSNLYGTHNFFMGLKYDGTAFGIFFLNSNAQEVAITPLPAITYRTIGGILDFFVFTGPKPLDVINQYYDLIGHPPIPPYWSLGFHICRYGMKNLDEAKEVLKRNVDAGIPIDAQWFDIDYMDAYKIWSVDTKRFGGIDVYVRDVLRKKYSVRTVLIIDPAVSTKGGTGYRPYEDGMRLGIFINDSRTGTPILGTVWPGETVFPDFSHPSAEDWWFKSASDFHKVINFDGLWIDMNEPANFNSGSLSGCPSSNTLDNPPYVPKILGNSLYDKTICPSALHYNTTHYNMHNIYGYDMARVTHNVLTRMFPDKRPFILTRSSFAGSGLYAAHWTGDVLSNWDSLKTSVVQIINFNMFGIPMVGADICGFTGNTTEELCIRWSQLGAFYPFARNHNAHGSNNQDPACWSEETTIAIKQAIRLRYHLLPYMYTLFYRSYLNGTTVARALAFEFPEDLATHKVNAQFMLGSCILVTPVLDEGRTFVEGYVPSGEWINLSSGKRYFSRGTWKYFDAPLNVIPISIRCGCIIPMQVSAETTDIARKKGFGLFVILSSTDDGSDAAGQRITASGELFWDNGDDGNLNYVHVKFEVRDRTLTVTSTPSSVGSLEKIDFQELDVKQIFIVGLSKIPSEIMLNNNPLKFTYHHNEQTCHLTSQYYMTLSKDFTIKWIFN
					

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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	45.8	Very low	48	Very low	248 Å²	248	145.9 Å²	145.9	100%	1.222	75%	0.745	S	S	*	*				0	17	0	-113.3	170.8	179	0	0	114.6
2	S	45.4	Very low	48.2	Very low	109 Å²	109	142.3 Å²	142.3	76%	0.762	73%	0.728	S	S	*	*			trans	-141.3	26	-179.6	-60.3	0	0	0	0	116
3	L	46.8	Very low	48.6	Very low	172 Å²	172	138.8 Å²	138.8	90%	0.901	71%	0.71	S	S	*	*	S	Bend	trans	-122.9	9	-172.2	-93	126.5	0	0	0	116.2
4	I	50.3	Low	48.6	Very low	144 Å²	144	136.9 Å²	136.9	74%	0.738	70%	0.701	S	S	*	*	S	Bend	trans	-113.8	-6.1	-175	-63.4	175.5	0	0	0	113.3
5	F	45.6	Very low	48.6	Very low	193 Å²	193	133.3 Å²	133.3	85%	0.846	68%	0.683	S	S	*	*	S	Bend	trans	-96.9	-10.6	-176.4	-103.7	-92.5	0	0	0	116
6	L	46.1	Very low	48.4	Very low	145 Å²	145	133.9 Å²	133.9	76%	0.759	68%	0.68	S	S	*	*	S	Bend	trans	-96.3	-4.7	-176.8	-88.3	142.7	0	0	0	115
7	H	47.7	Very low	48	Very low	149 Å²	149	133.2 Å²	133.2	69%	0.69	68%	0.677	S	S	*	*	S	Bend	trans	-102.2	-9.7	176.4	-101.1	23.5	0	0	0	114.9
8	K	47.7	Very low	47.7	Very low	166 Å²	166	132.2 Å²	132.2	72%	0.722	67%	0.673	S	S	*	*	H	α-helix	trans	-92.8	-16.2	174	-77.4	-173	174.5	-175.9	0	113.9	L12	K8-L12 PolarHBondContact O-N 2.97Å
9	L	47.4	Very low	47.2	Very low	120 Å²	120	133.1 Å²	133.1	63%	0.628	67%	0.674	S	S	*	*	H	α-helix	trans	-86.3	-31	177.7	-143.6	76.1	0	0	0	112.8	I13	L9-I13 WeakPolarHBondContact O-CG1 3.38Å; L9-I13 PolarHBondContact O-N 3.22Å; L9-I13 VanDerWaalsContact O-N 3.16Å
10	S	51.5	Low	46.7	Very low	58 Å²	58	133.3 Å²	133.3	41%	0.406	68%	0.677	S	S	.	*	H	α-helix	trans	-73.3	-28.9	175.4	44.9	0	0	0	0	113.1	L14	S10-L14 PolarHBondContact O-N 2.96Å; S10-L14 VanDerWaalsContact O-N 3.16Å
11	I	53.3	Low	46.1	Very low	101 Å²	101	130.8 Å²	130.8	52%	0.518	67%	0.669	S	S	.	*	H	α-helix	trans	-79.3	-32.7	175.5	-65	174.3	0	0	0	111.3	L15	I11-L15 HydrophobicContact CG2-CD1 3.77Å; I11-L15 WeakPolarHBondContact O-CB 3.49Å; I11-L15 WeakPolarHBondContact O-CD1 3.32Å; I11-L15 WeakPolarHBondContact O-CG 3.39Å; I11-L15 PolarHBondContact O-N 3.19Å
12	L	51.3	Low	45.5	Very low	103 Å²	103	129.2 Å²	129.2	54%	0.539	65%	0.649	S	S	.	*	H	α-helix	trans	-71.8	-32.8	173.6	-115.1	83.7	0	0	0	113	K8 F16	K8-L12 PolarHBondContact O-N 2.97Å; L12-F16 WeakPolarHBondContact O-CB 3.34Å; L12-F16 PolarHBondContact O-N 2.6Å
13	I	52.9	Low	45.1	Very low	97 Å²	97	129.2 Å²	129.2	50%	0.497	65%	0.646	S	S	.	*	H	α-helix	trans	-75.4	-32.8	175.5	-67.3	168.5	0	0	0	111	L9 L17	L9-I13 WeakPolarHBondContact O-CG1 3.38Å; L9-I13 PolarHBondContact O-N 3.22Å; L9-I13 VanDerWaalsContact O-N 3.16Å; I13-L17 HydrophobicContact CG2-CD1 3.84Å; I13-L17 WeakPolarHBondContact O-CB 2.98Å; I13-L17 WeakPolarHBondContact O-CD1 3.17Å; I13-L17 VanDerWaalsContact O-CG 3.27Å; I13-L17 WeakPolarHBondContact O-CG 3.44Å; I13-L17 PolarHBondContact O-N 3.15Å
14	L	48.2	Very low	45.1	Very low	111 Å²	111	126 Å²	126	58%	0.581	63%	0.634	S	S	*	*	H	α-helix	trans	-71.2	-35	170.9	-116.4	80.9	0	0	0	112.7	S10 L17 L18	S10-L14 PolarHBondContact O-N 2.96Å; S10-L14 VanDerWaalsContact O-N 3.16Å; L14-L17 PolarHBondContact O-N 3.48Å; L14-L18 VanDerWaalsContact O-CB 3.25Å; L14-L18 WeakPolarHBondContact O-CB 3.38Å; L14-L18 WeakPolarHBondContact O-CD1 3.44Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.46Å; L14-L18 PolarHBondContact O-N 3.13Å
15	L	48.7	Very low	45.2	Very low	84 Å²	84	122 Å²	122	44%	0.44	62%	0.619	S	S	.	*	H	α-helix	trans	-72.6	-36.5	174.8	-78.2	158.3	0	0	0	112.1	I11 L17 L18 E19	I11-L15 HydrophobicContact CG2-CD1 3.77Å; I11-L15 WeakPolarHBondContact O-CB 3.49Å; I11-L15 WeakPolarHBondContact O-CD1 3.32Å; I11-L15 WeakPolarHBondContact O-CG 3.39Å; I11-L15 PolarHBondContact O-N 3.19Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 2.73Å; L15-L18 PolarHBondContact O-N 3.12Å; L15-E19 WeakPolarHBondContact O-CB 3.34Å; L15-E19 PolarHBondContact O-N 3.46Å
16	F	45.4	Very low	45.8	Very low	143 Å²	143	117.8 Å²	117.8	63%	0.627	61%	0.605	S	S	*	*	H	α-helix	trans	-70.4	-24.8	172.3	-105.7	-94.9	0	0	0	114.1	L12	L12-F16 WeakPolarHBondContact O-CB 3.34Å; L12-F16 PolarHBondContact O-N 2.6Å
17	L	42.3	Very low	46.8	Very low	121 Å²	121	113.4 Å²	113.4	63%	0.634	58%	0.582	S	S	*	*	H	α-helix	trans	-87.6	-16	173.4	-72.3	165.8	0	0	0	113.1	I13 L14 L15	I13-L17 HydrophobicContact CG2-CD1 3.84Å; I13-L17 WeakPolarHBondContact O-CB 2.98Å; I13-L17 WeakPolarHBondContact O-CD1 3.17Å; I13-L17 VanDerWaalsContact O-CG 3.27Å; I13-L17 WeakPolarHBondContact O-CG 3.44Å; I13-L17 PolarHBondContact O-N 3.15Å; L14-L17 PolarHBondContact O-N 3.48Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 2.73Å
18	L	42	Very low	47.5	Very low	115 Å²	115	111.7 Å²	111.7	60%	0.602	57%	0.573	S	S	*	*	H	α-helix	trans	-100.1	-16.4	176.1	-73.2	164	0	0	0	113.8	L14 L15	L14-L18 VanDerWaalsContact O-CB 3.25Å; L14-L18 WeakPolarHBondContact O-CB 3.38Å; L14-L18 WeakPolarHBondContact O-CD1 3.44Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.46Å; L14-L18 PolarHBondContact O-N 3.13Å; L15-L18 PolarHBondContact O-N 3.12Å
19	E	39.1	Very low	48.6	Very low	150 Å²	150	109.9 Å²	109.9	70%	0.701	57%	0.565	S	S	*	*	S	Bend	trans	-95	-2.2	175.5	-76.2	-179.2	154	0	0	114.7	L15	L15-E19 WeakPolarHBondContact O-CB 3.34Å; L15-E19 PolarHBondContact O-N 3.46Å
20	N	36.3	Very low	50	Low	136 Å²	136	106.7 Å²	106.7	73%	0.727	55%	0.547	S	S	*	.	S	Bend	trans	-108.3	20	173.9	-94.2	-26.9	0	0	0	114.7
21	T	34.3	Very low	51.6	Low	82 Å²	82	104.4 Å²	104.4	50%	0.503	53%	0.531	S	S	.	.	S	Bend	trans	-126.8	46.7	177.8	53.9	0	0	0	0	113.2
22	R	32.4	Very low	53	Low	215 Å²	215	105.6 Å²	105.6	81%	0.811	53%	0.534	S	S	*	.	S	Bend	trans	-170.4	92.2	167.2	-97.9	141.5	-168.6	-138.3	7.4	108.9
23	P	38.6	Very low	54.6	Low	108 Å²	108	108.4 Å²	108.4	70%	0.701	54%	0.542	S	S	*	.	S	Bend		-131.7	1	87.5	13	8.6	0	0	0	114.7	S25 N26	P23-S25 VanDerWaalsContact C-N 3.32Å; P23-S25 PolarHBondContact O-N 3.17Å; P23-N26 PolarHBondContact O-N 2.81Å
24	T	46.3	Very low	56.4	Low	105 Å²	105	104.3 Å²	104.3	64%	0.644	52%	0.521	S	S	*	.	H	α-helix	trans	-64.9	-30.8	-173.4	48.8	0	0	0	0	113.6	N26 F28	T24-N26 VanDerWaalsContact C-N 3.3Å; T24-N26 PolarHBondContact O-N 2.91Å; T24-F28 WeakPolarHBondContact O-CB 3.34Å; T24-F28 PolarHBondContact O-N 3.32Å
25	S	51.5	Low	58.4	Low	59 Å²	59	101.4 Å²	101.4	41%	0.413	51%	0.51	S	S	.	.	H	α-helix	trans	-68.9	-25.8	-179.2	72	0	0	0	0	113.9	P23 K29	P23-S25 VanDerWaalsContact C-N 3.32Å; P23-S25 PolarHBondContact O-N 3.17Å; S25-K29 WeakPolarHBondContact O-CB 3.48Å; S25-K29 VanDerWaalsContact O-CG 3.25Å; S25-K29 WeakPolarHBondContact O-CG 3.18Å; S25-K29 PolarHBondContact O-N 3.04Å
26	N	59.8	Low	60.5	Low	105 Å²	105	101.5 Å²	101.5	56%	0.561	51%	0.508	S	S	*	.	H	α-helix	trans	-85.6	-36.7	-176	-135.6	10.9	0	0	0	111.8	P23 T24 Q30	P23-N26 PolarHBondContact O-N 2.81Å; T24-N26 VanDerWaalsContact C-N 3.3Å; T24-N26 PolarHBondContact O-N 2.91Å; N26-Q30 WeakPolarHBondContact O-CG 3.2Å; N26-Q30 PolarHBondContact O-N 3.44Å
27	L	65.3	Low	62.7	Low	54 Å²	54	98 Å²	98	28%	0.283	50%	0.498	S	S	.	.	H	α-helix	trans	-66	-46.5	172.6	-174.3	65.8	0	0	0	110.5	K29 Q30 C31 P77	L27-K29 VanDerWaalsContact C-N 3.32Å; L27-K29 PolarHBondContact O-N 3.09Å; L27-Q30 WeakPolarHBondContact O-CA 3.3Å; L27-Q30 WeakPolarHBondContact O-CB 3.45Å; L27-Q30 PolarHBondContact O-N 3.22Å; L27-C31 PolarHBondContact O-N 3.04Å; L27-C31 PolarHBondContact O-SG 2.74Å; L27-P77 HydrophobicContact CD1-CB 3.9Å; L27-P77 HydrophobicContact CD1-CG 3.95Å
28	F	63.7	Low	65.1	Low	113 Å²	113	95.1 Å²	95.1	50%	0.496	48%	0.482	S	S	.	.	H	α-helix	trans	-56.4	-44.5	178.1	-168	-96	0	0	0	112.3	T24 Q30 C31 E32	T24-F28 WeakPolarHBondContact O-CB 3.34Å; T24-F28 PolarHBondContact O-N 3.32Å; F28-Q30 PolarHBondContact O-N 2.97Å; F28-C31 PolarHBondContact O-N 2.67Å; F28-C31 VanDerWaalsContact O-N 3.15Å; F28-E32 VanDerWaalsContact CE1-CD 3.5Å; F28-E32 HydrophobicContact CE1-CG 4.18Å; F28-E32 WeakPolarHBondContact CE1-OE1 3.29Å; F28-E32 HydrophobicContact CZ-CG 4.48Å; F28-E32 WeakPolarHBondContact CZ-OE1 3.31Å; F28-E32 PolarHBondContact O-N 3.38Å
29	K	69.9	Low	67.6	Low	128 Å²	128	90.4 Å²	90.4	56%	0.557	46%	0.456	S	S	*	.	H	α-helix	trans	-62.8	-24.3	174.6	-78.5	179.7	-179	-174	0	114.4	S25 L27 K33	S25-K29 WeakPolarHBondContact O-CB 3.48Å; S25-K29 VanDerWaalsContact O-CG 3.25Å; S25-K29 WeakPolarHBondContact O-CG 3.18Å; S25-K29 PolarHBondContact O-N 3.04Å; L27-K29 VanDerWaalsContact C-N 3.32Å; L27-K29 PolarHBondContact O-N 3.09Å; K29-K33 WeakPolarHBondContact O-CG 3.42Å
30	Q	78.2	Confident	70.3	Confident	53 Å²	53	83.7 Å²	83.7	25%	0.248	43%	0.425	C	S	.	.	H	α-helix	trans	-81.8	-37.2	174.4	-69.1	175	15.8	0	0	111.4	N26 L27 F28 K33 S79	N26-Q30 WeakPolarHBondContact O-CG 3.2Å; N26-Q30 PolarHBondContact O-N 3.44Å; L27-Q30 WeakPolarHBondContact O-CA 3.3Å; L27-Q30 WeakPolarHBondContact O-CB 3.45Å; L27-Q30 PolarHBondContact O-N 3.22Å; F28-Q30 PolarHBondContact O-N 2.97Å; Q30-K33 PolarHBondContact O-N 3.21Å; Q30-S79 VanDerWaalsContact OE1-CB 3.25Å; Q30-S79 PolarHBondContact OE1-OG 3.01Å
31	C	84.8	Confident	73.1	Confident	9 Å²	9	78.4 Å²	78.4	6%	0.061	40%	0.396	C	S	.	.	H	α-helix	trans	-63.5	-42.7	-178.1	-58.5	0	0	0	0	112.7	L27 F28 K33 I34 C59 I61 F75	L27-C31 PolarHBondContact O-N 3.04Å; L27-C31 PolarHBondContact O-SG 2.74Å; F28-C31 PolarHBondContact O-N 2.67Å; F28-C31 VanDerWaalsContact O-N 3.15Å; C31-K33 PolarHBondContact O-N 2.91Å; C31-I34 PolarHBondContact O-N 2.88Å; C31-C59 WeakPolarHBondContact CA-SG 3.44Å; C31-C59 HydrophobicContact CB-CB 3.58Å; C31-C59 WeakPolarHBondContact CB-SG 3.44Å; C31-C59 VanDerWaalsContact SG-CA 3.51Å; C31-C59 WeakPolarHBondContact SG-CB 3.24Å; C31-C59 CovalentContact SG-SG 2.02Å; C31-C59 PolarHBondContact SG-SG 2.74Å; C31-I61 HydrophobicContact CB-CD1 4.4Å; C31-F75 HydrophobicContact CB-CZ 4.32Å
32	E	81.3	Confident	76	Confident	127 Å²	127	74.5 Å²	74.5	59%	0.593	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-18.6	-179.9	-68	-176.2	151.3	0	0	113.8	F28	F28-E32 VanDerWaalsContact CE1-CD 3.5Å; F28-E32 HydrophobicContact CE1-CG 4.18Å; F28-E32 WeakPolarHBondContact CE1-OE1 3.29Å; F28-E32 HydrophobicContact CZ-CG 4.48Å; F28-E32 WeakPolarHBondContact CZ-OE1 3.31Å; F28-E32 PolarHBondContact O-N 3.38Å
33	K	85.6	Confident	79	Confident	161 Å²	161	64.7 Å²	64.7	70%	0.7	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-4.8	-178.9	-67.8	-177.2	-178.8	-173.2	0	114	K29 Q30 C31	K29-K33 WeakPolarHBondContact O-CG 3.42Å; Q30-K33 PolarHBondContact O-N 3.21Å; C31-K33 PolarHBondContact O-N 2.91Å
34	I	90.1	Very high	81.6	Confident	11 Å²	11	59.6 Å²	59.6	6%	0.056	30%	0.303	C	S	.	.	S	Bend	trans	-94.7	114.1	179	-65	167	0	0	0	107.3	C31 E38 R39 F75 F76 K78	C31-I34 PolarHBondContact O-N 2.88Å; I34-E38 HydrophobicContact CG2-CB 3.9Å; I34-R39 HydrophobicContact CG2-CG 3.94Å; I34-F75 HydrophobicContact CB-CD2 4.42Å; I34-F75 HydrophobicContact CB-CE2 3.85Å; I34-F75 HydrophobicContact CD1-CD2 4.05Å; I34-F75 HydrophobicContact CD1-CE2 3.77Å; I34-F75 HydrophobicContact CG1-CE2 4.38Å; I34-F75 HydrophobicContact CG2-CD2 4.1Å; I34-F75 HydrophobicContact CG2-CE2 3.99Å; I34-F76 WeakPolarHBondContact CD1-O 3.48Å; I34-K78 HydrophobicContact CD1-CG 4.19Å; I34-K78 HydrophobicContact CG1-CG 4.19Å
35	S	91.4	Very high	83.7	Confident	50 Å²	50	56 Å²	56	35%	0.35	28%	0.278	S	S	.	.			trans	-62.9	154.7	177.4	66.6	0	0	0	0	110.5	V37 E38 R39	S35-V37 PolarHBondContact O-N 3.05Å; S35-V37 WeakPolarHBondContact OG-CG2 3.39Å; S35-E38 WeakPolarHBondContact CB-OE2 3.22Å; S35-E38 PolarHBondContact N-OE2 2.79Å; S35-E38 VanDerWaalsContact N-OE2 3.07Å; S35-E38 PolarHBondContact O-N 3.46Å; S35-E38 VanDerWaalsContact OG-CD 3.3Å; S35-E38 VanDerWaalsContact OG-CG 3.24Å; S35-E38 WeakPolarHBondContact OG-CG 3.35Å; S35-E38 PolarHBondContact OG-OE2 3.43Å; S35-R39 WeakPolarHBondContact O-CG 3.4Å; S35-R39 PolarHBondContact O-N 2.91Å
36	Q	92.7	Very high	85.2	Confident	86 Å²	86	57.7 Å²	57.7	40%	0.402	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-53.6	-39.9	-179.9	-75.6	-178.1	-21.2	0	0	112.2	E38 R39 D67 L71 W227	Q36-E38 VanDerWaalsContact C-N 3.31Å; Q36-E38 PolarHBondContact O-N 3.36Å; Q36-R39 WeakPolarHBondContact O-CB 3.34Å; Q36-R39 PolarHBondContact O-N 3.23Å; Q36-D67 VanDerWaalsContact NE2-CG 3.31Å; Q36-D67 PolarHBondContact NE2-OD1 3.19Å; Q36-D67 PolarHBondContact NE2-OD2 2.73Å; Q36-L71 HydrophobicContact CB-CD1 3.84Å; Q36-L71 HydrophobicContact CB-CD2 4.45Å; Q36-L71 HydrophobicContact CG-CD1 4.25Å; Q36-L71 HydrophobicContact CG-CD2 4.01Å; Q36-L71 WeakPolarHBondContact O-CD1 3.36Å; Q36-W227 WeakPolarHBondContact O-CZ2 3.48Å
37	V	92.1	Very high	86.4	Confident	70 Å²	70	60.5 Å²	60.5	42%	0.424	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-67.9	-27.5	179.8	-61.2	0	0	0	0	113.6	S35 R39 P278 L279	S35-V37 PolarHBondContact O-N 3.05Å; S35-V37 WeakPolarHBondContact OG-CG2 3.39Å; V37-R39 VanDerWaalsContact C-N 3.33Å; V37-P278 HydrophobicContact CB-CG 4.29Å; V37-P278 HydrophobicContact CG1-CB 4.29Å; V37-P278 HydrophobicContact CG1-CG 4.12Å; V37-L279 WeakPolarHBondContact O-CB 3.31Å
38	E	92.3	Very high	87.5	Confident	60 Å²	60	59 Å²	59	28%	0.28	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-84.6	-5.1	178.7	-71.4	171.1	119.5	0	0	113.2	I34 S35 Q36 L40 L279	I34-E38 HydrophobicContact CG2-CB 3.9Å; S35-E38 WeakPolarHBondContact CB-OE2 3.22Å; S35-E38 PolarHBondContact N-OE2 2.79Å; S35-E38 VanDerWaalsContact N-OE2 3.07Å; S35-E38 PolarHBondContact O-N 3.46Å; S35-E38 VanDerWaalsContact OG-CD 3.3Å; S35-E38 VanDerWaalsContact OG-CG 3.24Å; S35-E38 WeakPolarHBondContact OG-CG 3.35Å; S35-E38 PolarHBondContact OG-OE2 3.43Å; Q36-E38 VanDerWaalsContact C-N 3.31Å; Q36-E38 PolarHBondContact O-N 3.36Å; E38-L40 PolarHBondContact O-N 3.31Å; E38-L279 HydrophobicContact CG-CD1 4.36Å
39	R	94.2	Very high	88.9	Confident	16 Å²	16	56.5 Å²	56.5	6%	0.06	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-71.7	116.1	-175.1	-64.6	-177.2	-177.1	-179.7	3.3	111.2	I34 S35 Q36 V37 P72 F75 W227	I34-R39 HydrophobicContact CG2-CG 3.94Å; S35-R39 WeakPolarHBondContact O-CG 3.4Å; S35-R39 PolarHBondContact O-N 2.91Å; Q36-R39 WeakPolarHBondContact O-CB 3.34Å; Q36-R39 PolarHBondContact O-N 3.23Å; V37-R39 VanDerWaalsContact C-N 3.33Å; R39-P72 HydrophobicContact CB-CG 3.71Å; R39-P72 PolarHBondContact NH1-O 2.99Å; R39-F75 HydrophobicContact CB-CB 3.84Å; R39-F75 HydrophobicContact CB-CD1 4.41Å; R39-F75 HydrophobicContact CB-CD2 4.35Å; R39-F75 HydrophobicContact CB-CG 3.95Å; R39-F75 HydrophobicContact CG-CB 4.23Å; R39-F75 HydrophobicContact CG-CD1 3.97Å; R39-F75 HydrophobicContact CG-CD2 3.92Å; R39-F75 HydrophobicContact CG-CE1 4.32Å; R39-F75 HydrophobicContact CG-CE2 4.26Å; R39-F75 HydrophobicContact CG-CG 3.76Å; R39-F75 HydrophobicContact CG-CZ 4.44Å; R39-W227 WeakPolarHBondContact O-CH2 3.44Å
40	L	94.8	Very high	90.1	Very high	9 Å²	9	57 Å²	57	5%	0.047	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-95.6	122.7	169.7	-60.9	179.7	0	0	0	109.4	E38 C42 F75 F76 L188 T202 L279	E38-L40 PolarHBondContact O-N 3.31Å; L40-C42 PolarHBondContact O-N 2.94Å; L40-F75 CarbonylContact O-C 3.58Å; L40-F75 WeakPolarHBondContact O-CA 3.34Å; L40-F75 VanDerWaalsContact O-CB 3.23Å; L40-F75 WeakPolarHBondContact O-CB 3.24Å; L40-F76 HydrophobicContact CB-CD2 3.79Å; L40-F76 HydrophobicContact CB-CE2 4.48Å; L40-F76 VanDerWaalsContact O-CD2 3.29Å; L40-F76 WeakPolarHBondContact O-CD2 3.34Å; L40-F76 PolarHBondContact O-N 2.91Å; L40-L188 HydrophobicContact CD1-CD2 3.73Å; L40-L188 HydrophobicContact CD2-CD2 4.09Å; L40-L188 HydrophobicContact CG-CD2 4.38Å; L40-T202 HydrophobicContact CD2-CG2 4.01Å; L40-L279 HydrophobicContact CD2-CD2 4.47Å
41	D	95.2	Very high	90.8	Very high	25 Å²	25	58.7 Å²	58.7	13%	0.134	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-64.4	118.6	-174.4	176.4	21.5	0	0	0	112.4	H43 P44 P72 C74 F76 R285	D41-H43 VanDerWaalsContact OD1-C 3.29Å; D41-H43 PolarHBondContact OD1-N 2.77Å; D41-H43 VanDerWaalsContact OD1-N 3.13Å; D41-P44 VanDerWaalsContact OD2-CA 3.3Å; D41-P44 WeakPolarHBondContact OD2-CA 3.32Å; D41-P44 WeakPolarHBondContact OD2-CB 3.43Å; D41-P72 HydrophobicContact CB-CB 3.61Å; D41-P72 HydrophobicContact CB-CG 3.97Å; D41-C74 WeakPolarHBondContact CA-O 3.28Å; D41-F76 WeakPolarHBondContact O-CE2 3.2Å; D41-R285 VanDerWaalsContact CB-NH2 3.32Å; D41-R285 PolarHBondContact O-NH2 3.01Å; D41-R285 IonicContact OD2-CZ 3.51Å; D41-R285 IonicContact OD2-NH1 2.63Å; D41-R285 IonicContact OD2-NH2 3.43Å; D41-R285 PolarHBondContact OD2-NH2 2.85Å
42	C	95.8	Very high	91.2	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.312	C	S	.	.	S	Bend	trans	-101.3	-5	-177.1	175.6	0	0	0	0	113.1	L40 R56 C58 C74 F76 Y106	L40-C42 PolarHBondContact O-N 2.94Å; C42-R56 PolarHBondContact O-NH1 2.78Å; C42-C58 HydrophobicContact CB-CB 3.68Å; C42-C58 WeakPolarHBondContact CB-SG 3.31Å; C42-C58 WeakPolarHBondContact SG-CB 3.48Å; C42-C58 CovalentContact SG-SG 2.01Å; C42-C58 PolarHBondContact SG-SG 2.82Å; C42-C74 PolarHBondContact N-O 2.95Å; C42-F76 HydrophobicContact CB-CD1 3.85Å; C42-F76 HydrophobicContact CB-CD2 3.99Å; C42-F76 HydrophobicContact CB-CE1 3.78Å; C42-F76 HydrophobicContact CB-CE2 3.92Å; C42-F76 HydrophobicContact CB-CG 3.96Å; C42-F76 HydrophobicContact CB-CZ 3.82Å; C42-F76 WeakPolarHBondContact SG-CE1 3.39Å; C42-Y106 VanDerWaalsContact O-CE2 3.26Å; C42-Y106 WeakPolarHBondContact O-CE2 3.49Å; C42-Y106 PolarHBondContact O-OH 2.93Å
43	H	94.6	Very high	91.8	Very high	9 Å²	9	56.4 Å²	56.4	4%	0.042	28%	0.284	C	S	.	.			trans	-141.5	73.6	175.2	-163.9	-47.4	0	0	0	108.9	D41 E45 A48 E52 C74	D41-H43 VanDerWaalsContact OD1-C 3.29Å; D41-H43 PolarHBondContact OD1-N 2.77Å; D41-H43 VanDerWaalsContact OD1-N 3.13Å; H43-E45 VanDerWaalsContact C-N 3.25Å; H43-E45 IonicContact CE1-OE2 3.59Å; H43-E45 IonicContact CG-OE2 2.81Å; H43-E45 IonicContact ND1-OE2 3.44Å; H43-E45 PolarHBondContact ND1-OE2 3.13Å; H43-E45 PolarHBondContact O-N 2.92Å; H43-A48 HydrophobicContact CB-CB 3.86Å; H43-E52 IonicContact CD2-OE2 3.97Å; H43-E52 IonicContact CE1-OE2 3.31Å; H43-E52 WeakPolarHBondContact NE2-CB 3.41Å; H43-E52 IonicContact NE2-OE2 3.77Å; H43-E52 PolarHBondContact NE2-OE2 3.44Å; H43-C74 HydrophobicContact CB-CB 3.71Å
44	P	94.2	Very high	92.2	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	27%	0.27	C	S	.	.			trans	-75.2	-12.2	-178.2	31.4	-36.9	0	0	0	114	D41 Y106 F198 R229 R285 Y500	D41-P44 VanDerWaalsContact OD2-CA 3.3Å; D41-P44 WeakPolarHBondContact OD2-CA 3.32Å; D41-P44 WeakPolarHBondContact OD2-CB 3.43Å; P44-Y106 WeakPolarHBondContact CD-OH 3.19Å; P44-F198 HydrophobicContact CG-CE2 4.38Å; P44-F198 HydrophobicContact CG-CZ 4.23Å; P44-R229 VanDerWaalsContact O-CZ 3.23Å; P44-R229 PolarHBondContact O-NH1 3.08Å; P44-R229 PolarHBondContact O-NH2 2.73Å; P44-R285 VanDerWaalsContact CB-NH1 3.34Å; P44-Y500 HydrophobicContact CB-CE2 3.96Å; P44-Y500 HydrophobicContact CG-CD2 4.34Å; P44-Y500 HydrophobicContact CG-CE2 3.77Å
45	E	90.6	Very high	92.3	Very high	29 Å²	29	56.9 Å²	56.9	14%	0.136	30%	0.299	C	S	.	.	S	Bend	trans	-55.2	159.2	173.1	-63.1	79.7	162.3	0	0	111.2	H43 R56 Y107 Y500	H43-E45 VanDerWaalsContact C-N 3.25Å; H43-E45 IonicContact CE1-OE2 3.59Å; H43-E45 IonicContact CG-OE2 2.81Å; H43-E45 IonicContact ND1-OE2 3.44Å; H43-E45 PolarHBondContact ND1-OE2 3.13Å; H43-E45 PolarHBondContact O-N 2.92Å; E45-R56 IonicContact OE1-CZ 2.79Å; E45-R56 IonicContact OE1-NH1 2.77Å; E45-R56 PolarHBondContact OE1-NH1 2.95Å; E45-R56 VanDerWaalsContact OE1-NH1 3.15Å; E45-R56 IonicContact OE1-NH2 2.81Å; E45-R56 PolarHBondContact OE1-NH2 3.24Å; E45-R56 IonicContact OE2-CZ 3.79Å; E45-R56 IonicContact OE2-NH1 2.88Å; E45-R56 PolarHBondContact OE2-NH1 3.22Å; E45-R56 IonicContact OE2-NH2 3.56Å; E45-R56 PolarHBondContact OE2-NH2 2.79Å; E45-Y107 PolarHBondContact OE1-OH 2.85Å; E45-Y500 HydrophobicContact CG-CD2 3.99Å
46	Q	82.1	Confident	92.3	Very high	95 Å²	95	55.9 Å²	55.9	44%	0.444	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	142.4	173	-62.3	-169.1	-12	0	0	110.3	N507	Q46-N507 PolarHBondContact NE2-ND2 3.08Å; Q46-N507 VanDerWaalsContact NE2-ND2 3.13Å; Q46-N507 PolarHBondContact NE2-OD1 2.9Å; Q46-N507 PolarHBondContact OE1-ND2 3.16Å
47	H	84.6	Confident	92.2	Very high	164 Å²	164	52.7 Å²	52.7	76%	0.759	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	43.6	175.8	-47.4	-67.9	0	0	0	115.3	T49	H47-T49 WeakPolarHBondContact O-CG2 3.29Å; H47-T49 PolarHBondContact O-N 2.79Å
48	A	89.4	Confident	92.4	Very high	24 Å²	24	49.3 Å²	49.3	20%	0.198	26%	0.257	C	S	.	.			trans	-47.7	126	172	0	0	0	0	0	112.5	H43 W60	H43-A48 HydrophobicContact CB-CB 3.86Å; A48-W60 HydrophobicContact CB-CZ3 4.22Å; A48-W60 VanDerWaalsContact O-CH2 3.24Å; A48-W60 WeakPolarHBondContact O-CH2 3.31Å
49	T	93.1	Very high	92.5	Very high	60 Å²	60	46.5 Å²	46.5	37%	0.368	24%	0.244	S	C	.	.			trans	-109.3	154.9	177.4	68.7	0	0	0	0	111.4	H47 S51 E52 C53	H47-T49 WeakPolarHBondContact O-CG2 3.29Å; H47-T49 PolarHBondContact O-N 2.79Å; T49-S51 VanDerWaalsContact C-N 3.3Å; T49-S51 PolarHBondContact O-N 3.4Å; T49-E52 PolarHBondContact O-N 2.93Å; T49-E52 WeakPolarHBondContact OG1-CB 3.38Å; T49-E52 VanDerWaalsContact OG1-CG 3.27Å; T49-E52 WeakPolarHBondContact OG1-CG 3.39Å; T49-E52 PolarHBondContact OG1-N 3.46Å; T49-E52 PolarHBondContact OG1-OE2 3.47Å; T49-E52 VanDerWaalsContact OG1-OE2 3.14Å; T49-C53 VanDerWaalsContact O-CB 3.31Å; T49-C53 WeakPolarHBondContact O-CB 3.26Å; T49-C53 PolarHBondContact O-N 3.18Å
50	R	94.4	Very high	92.5	Very high	137 Å²	137	47.8 Å²	47.8	52%	0.517	25%	0.249	S	C	.	.	H	α-helix	trans	-56	-45.1	174.2	179.9	172.7	-177.6	168.1	4.7	112.4	C53 E54 W60	R50-C53 WeakPolarHBondContact O-CB 3.43Å; R50-C53 PolarHBondContact O-N 3.29Å; R50-E54 HydrophobicContact CG-CG 4.31Å; R50-E54 IonicContact CZ-OE1 3.88Å; R50-E54 IonicContact NE-OE1 3.2Å; R50-E54 PolarHBondContact NE-OE1 3.42Å; R50-E54 IonicContact NE-OE2 2.76Å; R50-E54 IonicContact NH2-OE1 2.79Å; R50-E54 PolarHBondContact NH2-OE1 3.15Å; R50-E54 WeakPolarHBondContact O-CB 3.38Å; R50-E54 WeakPolarHBondContact O-CG 3.22Å; R50-E54 PolarHBondContact O-N 2.91Å; R50-W60 HydrophobicContact CB-CD2 3.8Å; R50-W60 HydrophobicContact CB-CE3 4.44Å; R50-W60 HydrophobicContact CB-CG 3.8Å; R50-W60 HydrophobicContact CB-CZ2 4.47Å; R50-W60 HydrophobicContact CG-CB 3.98Å; R50-W60 HydrophobicContact CG-CD2 4.23Å; R50-W60 HydrophobicContact CG-CG 3.67Å
51	S	94.3	Very high	92.5	Very high	90 Å²	90	49.5 Å²	49.5	63%	0.629	26%	0.258	S	S	*	.	H	α-helix	trans	-61.2	-47.6	-177.4	-175.3	0	0	0	0	111.8	T49 E54 S55	T49-S51 VanDerWaalsContact C-N 3.3Å; T49-S51 PolarHBondContact O-N 3.4Å; S51-E54 PolarHBondContact O-N 2.8Å; S51-S55 WeakPolarHBondContact O-CB 3.44Å; S51-S55 PolarHBondContact O-N 2.84Å
52	E	92.7	Very high	92.2	Very high	88 Å²	88	52.3 Å²	52.3	41%	0.411	28%	0.277	S	S	.	.	H	α-helix	trans	-69.9	-34.6	178.4	-67.5	169.2	159.8	0	0	112.5	H43 T49 S55 R56	H43-E52 IonicContact CD2-OE2 3.97Å; H43-E52 IonicContact CE1-OE2 3.31Å; H43-E52 WeakPolarHBondContact NE2-CB 3.41Å; H43-E52 IonicContact NE2-OE2 3.77Å; H43-E52 PolarHBondContact NE2-OE2 3.44Å; T49-E52 PolarHBondContact O-N 2.93Å; T49-E52 WeakPolarHBondContact OG1-CB 3.38Å; T49-E52 VanDerWaalsContact OG1-CG 3.27Å; T49-E52 WeakPolarHBondContact OG1-CG 3.39Å; T49-E52 PolarHBondContact OG1-N 3.46Å; T49-E52 PolarHBondContact OG1-OE2 3.47Å; T49-E52 VanDerWaalsContact OG1-OE2 3.14Å; E52-S55 WeakPolarHBondContact CA-OG 3.33Å; E52-S55 PolarHBondContact O-N 3.16Å; E52-S55 PolarHBondContact O-OG 2.89Å; E52-R56 WeakPolarHBondContact O-CG 3.47Å; E52-R56 PolarHBondContact O-N 2.83Å; E52-R56 VanDerWaalsContact O-N 3.13Å
53	C	94.3	Very high	91.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-50.9	173.9	-174.9	0	0	0	0	111.8	T49 R50 S55 R56 C58 C59 W60 C74	T49-C53 VanDerWaalsContact O-CB 3.31Å; T49-C53 WeakPolarHBondContact O-CB 3.26Å; T49-C53 PolarHBondContact O-N 3.18Å; R50-C53 WeakPolarHBondContact O-CB 3.43Å; R50-C53 PolarHBondContact O-N 3.29Å; C53-S55 VanDerWaalsContact C-N 3.3Å; C53-S55 PolarHBondContact O-N 2.89Å; C53-R56 PolarHBondContact O-N 2.98Å; C53-C58 WeakPolarHBondContact O-CB 3.39Å; C53-C58 PolarHBondContact O-N 2.91Å; C53-C59 PolarHBondContact SG-O 3.18Å; C53-W60 HydrophobicContact CB-CB 4.43Å; C53-W60 HydrophobicContact CB-CE3 3.81Å; C53-C74 WeakPolarHBondContact CA-SG 3.33Å; C53-C74 HydrophobicContact CB-CB 3.66Å; C53-C74 WeakPolarHBondContact CB-SG 3.31Å; C53-C74 WeakPolarHBondContact SG-CA 3.34Å; C53-C74 WeakPolarHBondContact SG-CB 3.22Å; C53-C74 CovalentContact SG-SG 2.03Å; C53-C74 PolarHBondContact SG-SG 2.7Å
54	E	93.2	Very high	91.6	Very high	87 Å²	87	57.6 Å²	57.6	41%	0.407	31%	0.308	S	S	.	.	H	α-helix	trans	-66.9	-33.2	-179.9	-70.7	176.2	168.6	0	0	111.1	R50 S51 R56 G57	R50-E54 HydrophobicContact CG-CG 4.31Å; R50-E54 IonicContact CZ-OE1 3.88Å; R50-E54 IonicContact NE-OE1 3.2Å; R50-E54 PolarHBondContact NE-OE1 3.42Å; R50-E54 IonicContact NE-OE2 2.76Å; R50-E54 IonicContact NH2-OE1 2.79Å; R50-E54 PolarHBondContact NH2-OE1 3.15Å; R50-E54 WeakPolarHBondContact O-CB 3.38Å; R50-E54 WeakPolarHBondContact O-CG 3.22Å; R50-E54 PolarHBondContact O-N 2.91Å; S51-E54 PolarHBondContact O-N 2.8Å; E54-R56 VanDerWaalsContact C-N 3.34Å; E54-R56 PolarHBondContact O-N 2.75Å; E54-G57 WeakPolarHBondContact O-CA 3.15Å; E54-G57 PolarHBondContact O-N 2.74Å
55	S	91.4	Very high	91.1	Very high	95 Å²	95	62.9 Å²	62.9	66%	0.664	35%	0.352	S	S	*	.	H	α-helix	trans	-68.1	-30.4	176.4	79.6	0	0	0	0	113.4	S51 E52 C53 G57	S51-S55 WeakPolarHBondContact O-CB 3.44Å; S51-S55 PolarHBondContact O-N 2.84Å; E52-S55 WeakPolarHBondContact CA-OG 3.33Å; E52-S55 PolarHBondContact O-N 3.16Å; E52-S55 PolarHBondContact O-OG 2.89Å; C53-S55 VanDerWaalsContact C-N 3.3Å; C53-S55 PolarHBondContact O-N 2.89Å; S55-G57 PolarHBondContact O-N 3.03Å
56	R	91.7	Very high	90.9	Very high	28 Å²	28	69.6 Å²	69.6	11%	0.106	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-7.2	168.1	-69	176.5	-170.9	-161.6	-1.9	113.2	C42 E45 E52 C53 E54 Y80 Y106	C42-R56 PolarHBondContact O-NH1 2.78Å; E45-R56 IonicContact OE1-CZ 2.79Å; E45-R56 IonicContact OE1-NH1 2.77Å; E45-R56 PolarHBondContact OE1-NH1 2.95Å; E45-R56 VanDerWaalsContact OE1-NH1 3.15Å; E45-R56 IonicContact OE1-NH2 2.81Å; E45-R56 PolarHBondContact OE1-NH2 3.24Å; E45-R56 IonicContact OE2-CZ 3.79Å; E45-R56 IonicContact OE2-NH1 2.88Å; E45-R56 PolarHBondContact OE2-NH1 3.22Å; E45-R56 IonicContact OE2-NH2 3.56Å; E45-R56 PolarHBondContact OE2-NH2 2.79Å; E52-R56 WeakPolarHBondContact O-CG 3.47Å; E52-R56 PolarHBondContact O-N 2.83Å; E52-R56 VanDerWaalsContact O-N 3.13Å; C53-R56 PolarHBondContact O-N 2.98Å; E54-R56 VanDerWaalsContact C-N 3.34Å; E54-R56 PolarHBondContact O-N 2.75Å; R56-Y80 VanDerWaalsContact O-CE2 3.25Å; R56-Y80 WeakPolarHBondContact O-CE2 3.4Å; R56-Y80 PolarHBondContact O-OH 3.13Å; R56-Y106 PolarHBondContact NH1-OH 3.23Å
57	G	92	Very high	91.1	Very high	19 Å²	19	66.5 Å²	66.5	20%	0.196	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	25.6	-174	0	0	0	0	0	113.4	E54 S55 P77	E54-G57 WeakPolarHBondContact O-CA 3.15Å; E54-G57 PolarHBondContact O-N 2.74Å; S55-G57 PolarHBondContact O-N 3.03Å; G57-P77 WeakPolarHBondContact O-CG 3.37Å
58	C	94.9	Very high	91	Very high	0 Å²	0	62 Å²	62	0%	0	36%	0.356	C	S	.	.			trans	-101.9	170.2	-178.2	-75.7	0	0	0	0	113.4	C42 C53 F75 Y80	C42-C58 HydrophobicContact CB-CB 3.68Å; C42-C58 WeakPolarHBondContact CB-SG 3.31Å; C42-C58 WeakPolarHBondContact SG-CB 3.48Å; C42-C58 CovalentContact SG-SG 2.01Å; C42-C58 PolarHBondContact SG-SG 2.82Å; C53-C58 WeakPolarHBondContact O-CB 3.39Å; C53-C58 PolarHBondContact O-N 2.91Å; C58-F75 WeakPolarHBondContact CB-O 3.32Å; C58-Y80 VanDerWaalsContact SG-CE2 3.55Å
59	C	95.4	Very high	90.8	Very high	1 Å²	1	68.4 Å²	68.4	1%	0.007	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	132.1	178.9	-73.1	0	0	0	0	110.8	C31 C53 C74 F75	C31-C59 WeakPolarHBondContact CA-SG 3.44Å; C31-C59 HydrophobicContact CB-CB 3.58Å; C31-C59 WeakPolarHBondContact CB-SG 3.44Å; C31-C59 VanDerWaalsContact SG-CA 3.51Å; C31-C59 WeakPolarHBondContact SG-CB 3.24Å; C31-C59 CovalentContact SG-SG 2.02Å; C31-C59 PolarHBondContact SG-SG 2.74Å; C53-C59 PolarHBondContact SG-O 3.18Å; C59-C74 CarbonylContact O-C 3.57Å; C59-C74 VanDerWaalsContact O-CA 3.3Å; C59-C74 WeakPolarHBondContact O-CA 3.49Å; C59-F75 HydrophobicContact CB-CD1 4.18Å; C59-F75 HydrophobicContact CB-CD2 3.79Å; C59-F75 HydrophobicContact CB-CE1 3.83Å; C59-F75 HydrophobicContact CB-CE2 3.41Å; C59-F75 VanDerWaalsContact CB-CE2 3.41Å; C59-F75 HydrophobicContact CB-CG 4.16Å; C59-F75 HydrophobicContact CB-CZ 3.43Å; C59-F75 VanDerWaalsContact CB-CZ 3.43Å; C59-F75 WeakPolarHBondContact CB-O 3.41Å; C59-F75 PolarHBondContact N-O 3.02Å; C59-F75 WeakPolarHBondContact O-CD1 3.43Å; C59-F75 PolarHBondContact O-N 2.89Å
60	W	94.3	Very high	90.5	Very high	43 Å²	43	67 Å²	67	16%	0.163	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117.5	172.4	-179.1	-90.8	0	0	0	111	A48 R50 C53 M73 C74	A48-W60 HydrophobicContact CB-CZ3 4.22Å; A48-W60 VanDerWaalsContact O-CH2 3.24Å; A48-W60 WeakPolarHBondContact O-CH2 3.31Å; R50-W60 HydrophobicContact CB-CD2 3.8Å; R50-W60 HydrophobicContact CB-CE3 4.44Å; R50-W60 HydrophobicContact CB-CG 3.8Å; R50-W60 HydrophobicContact CB-CZ2 4.47Å; R50-W60 HydrophobicContact CG-CB 3.98Å; R50-W60 HydrophobicContact CG-CD2 4.23Å; R50-W60 HydrophobicContact CG-CG 3.67Å; C53-W60 HydrophobicContact CB-CB 4.43Å; C53-W60 HydrophobicContact CB-CE3 3.81Å; W60-M73 WeakPolarHBondContact CA-O 3.5Å; W60-M73 HydrophobicContact CD2-CB 4.36Å; W60-M73 HydrophobicContact CE3-CB 4.05Å; W60-M73 HydrophobicContact CH2-CB 3.75Å; W60-M73 HydrophobicContact CH2-CE 3.66Å; W60-M73 HydrophobicContact CH2-CG 4.45Å; W60-M73 HydrophobicContact CH2-SD 3.93Å; W60-M73 HydrophobicContact CZ2-CB 4.05Å; W60-M73 HydrophobicContact CZ2-CE 4.16Å; W60-M73 HydrophobicContact CZ2-SD 3.86Å; W60-M73 HydrophobicContact CZ3-CB 3.74Å; W60-C74 HydrophobicContact CE3-CB 3.98Å; W60-C74 HydrophobicContact CZ3-CB 4.21Å
61	I	94	Very high	90.5	Very high	45 Å²	45	60.7 Å²	60.7	23%	0.231	36%	0.36	C	S	.	.			trans	-131.4	114.4	169.3	-58.3	-177.9	0	0	0	108	C31 M73 F75	C31-I61 HydrophobicContact CB-CD1 4.4Å; I61-M73 PolarHBondContact N-O 2.89Å; I61-M73 WeakPolarHBondContact O-CA 3.35Å; I61-F75 HydrophobicContact CB-CE1 3.99Å; I61-F75 HydrophobicContact CD1-CE1 4.01Å; I61-F75 HydrophobicContact CD1-CZ 3.67Å; I61-F75 HydrophobicContact CG1-CE1 3.82Å; I61-F75 HydrophobicContact CG1-CZ 3.93Å
62	P	89.6	Confident	90.5	Very high	83 Å²	83	56.7 Å²	56.7	54%	0.539	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-56.6	152.3	176.9	-22.1	31.6	0	0	0	112.5
63	K	87.9	Confident	90.6	Very high	61 Å²	61	55.5 Å²	55.5	27%	0.265	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-74.1	148.2	170.6	-64.1	-175.9	-167.4	-152.2	0	111.6	D67 D68 D69 L71 M73	K63-D67 VanDerWaalsContact CA-OD2 3.31Å; K63-D67 WeakPolarHBondContact CA-OD2 3.43Å; K63-D67 HydrophobicContact CB-CB 4.11Å; K63-D67 HydrophobicContact CG-CB 4.35Å; K63-D68 PolarHBondContact NZ-O 2.93Å; K63-D69 PolarHBondContact NZ-O 2.69Å; K63-L71 WeakPolarHBondContact CE-O 3.36Å; K63-L71 HydrophobicContact CG-CD2 4.48Å; K63-L71 PolarHBondContact NZ-O 3.31Å; K63-M73 HydrophobicContact CD-CG 4.42Å; K63-M73 HydrophobicContact CG-CG 3.69Å; K63-M73 HydrophobicContact CG-SD 4.28Å
64	S	88.4	Confident	90.6	Very high	59 Å²	59	55.6 Å²	55.6	41%	0.413	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-78.2	161.9	157.7	84.1	0	0	0	0	110.5	L66 D67	S64-L66 PolarHBondContact O-N 2.97Å; S64-L66 VanDerWaalsContact O-N 3.13Å; S64-L66 PolarHBondContact OG-N 3.23Å; S64-D67 PolarHBondContact N-OD2 3.38Å; S64-D67 PolarHBondContact O-N 2.89Å; S64-D67 VanDerWaalsContact O-N 3.17Å; S64-D67 PolarHBondContact OG-N 3.28Å; S64-D67 PolarHBondContact OG-OD1 2.97Å; S64-D67 PolarHBondContact OG-OD2 3.45Å
65	A	84.4	Confident	90.8	Very high	113 Å²	113	51.4 Å²	51.4	93%	0.934	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-10.7	174	0	0	0	0	0	113.8
66	L	86.1	Confident	90.9	Very high	170 Å²	170	47.4 Å²	47.4	89%	0.89	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-8.8	178.4	-62.9	172.1	0	0	0	112.6	S64	S64-L66 PolarHBondContact O-N 2.97Å; S64-L66 VanDerWaalsContact O-N 3.13Å; S64-L66 PolarHBondContact OG-N 3.23Å
67	D	86.2	Confident	91	Very high	29 Å²	29	46.2 Å²	46.2	16%	0.155	28%	0.275	C	S	.	.	S	Bend	trans	-76.3	153.2	-178.8	-66.8	-19.3	0	0	0	111	Q36 K63 S64 L71	Q36-D67 VanDerWaalsContact NE2-CG 3.31Å; Q36-D67 PolarHBondContact NE2-OD1 3.19Å; Q36-D67 PolarHBondContact NE2-OD2 2.73Å; K63-D67 VanDerWaalsContact CA-OD2 3.31Å; K63-D67 WeakPolarHBondContact CA-OD2 3.43Å; K63-D67 HydrophobicContact CB-CB 4.11Å; K63-D67 HydrophobicContact CG-CB 4.35Å; S64-D67 PolarHBondContact N-OD2 3.38Å; S64-D67 PolarHBondContact O-N 2.89Å; S64-D67 VanDerWaalsContact O-N 3.17Å; S64-D67 PolarHBondContact OG-N 3.28Å; S64-D67 PolarHBondContact OG-OD1 2.97Å; S64-D67 PolarHBondContact OG-OD2 3.45Å; D67-L71 HydrophobicContact CB-CD2 3.81Å
68	D	83.9	Confident	90.9	Very high	71 Å²	71	51.2 Å²	51.2	38%	0.38	29%	0.291	S	S	.	.			trans	-60.8	135.4	174.8	-170.8	-53.1	0	0	0	111.6	K63 G70 L71	K63-D68 PolarHBondContact NZ-O 2.93Å; D68-G70 PolarHBondContact O-N 2.79Å; D68-G70 VanDerWaalsContact O-N 3.09Å; D68-G70 PolarHBondContact OD1-N 3.31Å; D68-L71 VanDerWaalsContact O-CB 3.24Å; D68-L71 WeakPolarHBondContact O-CB 3.2Å; D68-L71 PolarHBondContact O-N 2.61Å
69	D	83.8	Confident	90.6	Very high	158 Å²	158	54.5 Å²	54.5	85%	0.845	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.5	178.4	-75	-23.4	0	0	0	113.4	K63	K63-D69 PolarHBondContact NZ-O 2.69Å
70	G	88.4	Confident	90.5	Very high	29 Å²	29	54.9 Å²	54.9	30%	0.299	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-9.4	175.7	0	0	0	0	0	115.5	D68	D68-G70 PolarHBondContact O-N 2.79Å; D68-G70 VanDerWaalsContact O-N 3.09Å; D68-G70 PolarHBondContact OD1-N 3.31Å
71	L	93.3	Very high	90.5	Very high	5 Å²	5	54 Å²	54	3%	0.026	32%	0.315	C	S	.	.	S	Bend	trans	-57.5	133.2	177.6	-178.6	69.9	0	0	0	110.9	Q36 K63 D67 D68 W227	Q36-L71 HydrophobicContact CB-CD1 3.84Å; Q36-L71 HydrophobicContact CB-CD2 4.45Å; Q36-L71 HydrophobicContact CG-CD1 4.25Å; Q36-L71 HydrophobicContact CG-CD2 4.01Å; Q36-L71 WeakPolarHBondContact O-CD1 3.36Å; K63-L71 WeakPolarHBondContact CE-O 3.36Å; K63-L71 HydrophobicContact CG-CD2 4.48Å; K63-L71 PolarHBondContact NZ-O 3.31Å; D67-L71 HydrophobicContact CB-CD2 3.81Å; D68-L71 VanDerWaalsContact O-CB 3.24Å; D68-L71 WeakPolarHBondContact O-CB 3.2Å; D68-L71 PolarHBondContact O-N 2.61Å; L71-W227 HydrophobicContact CD1-CZ2 3.69Å
72	P	94.2	Very high	90.6	Very high	7 Å²	7	52.7 Å²	52.7	5%	0.045	31%	0.309	C	S	.	.			trans	-76.5	132.5	175	23.7	-31.6	0	0	0	113.1	R39 D41 W227	R39-P72 HydrophobicContact CB-CG 3.71Å; R39-P72 PolarHBondContact NH1-O 2.99Å; D41-P72 HydrophobicContact CB-CB 3.61Å; D41-P72 HydrophobicContact CB-CG 3.97Å; P72-W227 HydrophobicContact CG-CH2 4.44Å; P72-W227 HydrophobicContact CG-CZ3 4.33Å
73	M	94.2	Very high	91	Very high	63 Å²	63	48.8 Å²	48.8	31%	0.31	28%	0.284	S	S	.	.	S	Bend	trans	-77.8	-35.6	166.4	-68.2	-175	-69.8	0	0	111.6	W60 I61 K63	W60-M73 WeakPolarHBondContact CA-O 3.5Å; W60-M73 HydrophobicContact CD2-CB 4.36Å; W60-M73 HydrophobicContact CE3-CB 4.05Å; W60-M73 HydrophobicContact CH2-CB 3.75Å; W60-M73 HydrophobicContact CH2-CE 3.66Å; W60-M73 HydrophobicContact CH2-CG 4.45Å; W60-M73 HydrophobicContact CH2-SD 3.93Å; W60-M73 HydrophobicContact CZ2-CB 4.05Å; W60-M73 HydrophobicContact CZ2-CE 4.16Å; W60-M73 HydrophobicContact CZ2-SD 3.86Å; W60-M73 HydrophobicContact CZ3-CB 3.74Å; I61-M73 PolarHBondContact N-O 2.89Å; I61-M73 WeakPolarHBondContact O-CA 3.35Å; K63-M73 HydrophobicContact CD-CG 4.42Å; K63-M73 HydrophobicContact CG-CG 3.69Å; K63-M73 HydrophobicContact CG-SD 4.28Å
74	C	95.9	Very high	91.4	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.007	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119.9	174.3	-174.1	0	0	0	0	110.9	D41 C42 H43 C53 C59 W60	D41-C74 WeakPolarHBondContact CA-O 3.28Å; C42-C74 PolarHBondContact N-O 2.95Å; H43-C74 HydrophobicContact CB-CB 3.71Å; C53-C74 WeakPolarHBondContact CA-SG 3.33Å; C53-C74 HydrophobicContact CB-CB 3.66Å; C53-C74 WeakPolarHBondContact CB-SG 3.31Å; C53-C74 WeakPolarHBondContact SG-CA 3.34Å; C53-C74 WeakPolarHBondContact SG-CB 3.22Å; C53-C74 CovalentContact SG-SG 2.03Å; C53-C74 PolarHBondContact SG-SG 2.7Å; C59-C74 CarbonylContact O-C 3.57Å; C59-C74 VanDerWaalsContact O-CA 3.3Å; C59-C74 WeakPolarHBondContact O-CA 3.49Å; W60-C74 HydrophobicContact CE3-CB 3.98Å; W60-C74 HydrophobicContact CZ3-CB 4.21Å
75	F	95.8	Very high	91.8	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	156.9	-176.5	59.8	-85.2	0	0	0	113.4	C31 I34 R39 L40 C58 C59 I61	C31-F75 HydrophobicContact CB-CZ 4.32Å; I34-F75 HydrophobicContact CB-CD2 4.42Å; I34-F75 HydrophobicContact CB-CE2 3.85Å; I34-F75 HydrophobicContact CD1-CD2 4.05Å; I34-F75 HydrophobicContact CD1-CE2 3.77Å; I34-F75 HydrophobicContact CG1-CE2 4.38Å; I34-F75 HydrophobicContact CG2-CD2 4.1Å; I34-F75 HydrophobicContact CG2-CE2 3.99Å; R39-F75 HydrophobicContact CB-CB 3.84Å; R39-F75 HydrophobicContact CB-CD1 4.41Å; R39-F75 HydrophobicContact CB-CD2 4.35Å; R39-F75 HydrophobicContact CB-CG 3.95Å; R39-F75 HydrophobicContact CG-CB 4.23Å; R39-F75 HydrophobicContact CG-CD1 3.97Å; R39-F75 HydrophobicContact CG-CD2 3.92Å; R39-F75 HydrophobicContact CG-CE1 4.32Å; R39-F75 HydrophobicContact CG-CE2 4.26Å; R39-F75 HydrophobicContact CG-CG 3.76Å; R39-F75 HydrophobicContact CG-CZ 4.44Å; L40-F75 CarbonylContact O-C 3.58Å; L40-F75 WeakPolarHBondContact O-CA 3.34Å; L40-F75 VanDerWaalsContact O-CB 3.23Å; L40-F75 WeakPolarHBondContact O-CB 3.24Å; C58-F75 WeakPolarHBondContact CB-O 3.32Å; C59-F75 HydrophobicContact CB-CD1 4.18Å; C59-F75 HydrophobicContact CB-CD2 3.79Å; C59-F75 HydrophobicContact CB-CE1 3.83Å; C59-F75 HydrophobicContact CB-CE2 3.41Å; C59-F75 VanDerWaalsContact CB-CE2 3.41Å; C59-F75 HydrophobicContact CB-CG 4.16Å; C59-F75 HydrophobicContact CB-CZ 3.43Å; C59-F75 VanDerWaalsContact CB-CZ 3.43Å; C59-F75 WeakPolarHBondContact CB-O 3.41Å; C59-F75 PolarHBondContact N-O 3.02Å; C59-F75 WeakPolarHBondContact O-CD1 3.43Å; C59-F75 PolarHBondContact O-N 2.89Å; I61-F75 HydrophobicContact CB-CE1 3.99Å; I61-F75 HydrophobicContact CD1-CE1 4.01Å; I61-F75 HydrophobicContact CD1-CZ 3.67Å; I61-F75 HydrophobicContact CG1-CE1 3.82Å; I61-F75 HydrophobicContact CG1-CZ 3.93Å
76	F	95.1	Very high	92.4	Very high	10 Å²	10	49.9 Å²	49.9	4%	0.044	26%	0.261	C	S	.	.			trans	-68.2	131.5	-178.8	-63.8	-75.6	0	0	0	111.9	I34 L40 D41 C42 Y80 Y106 I193	I34-F76 WeakPolarHBondContact CD1-O 3.48Å; L40-F76 HydrophobicContact CB-CD2 3.79Å; L40-F76 HydrophobicContact CB-CE2 4.48Å; L40-F76 VanDerWaalsContact O-CD2 3.29Å; L40-F76 WeakPolarHBondContact O-CD2 3.34Å; L40-F76 PolarHBondContact O-N 2.91Å; D41-F76 WeakPolarHBondContact O-CE2 3.2Å; C42-F76 HydrophobicContact CB-CD1 3.85Å; C42-F76 HydrophobicContact CB-CD2 3.99Å; C42-F76 HydrophobicContact CB-CE1 3.78Å; C42-F76 HydrophobicContact CB-CE2 3.92Å; C42-F76 HydrophobicContact CB-CG 3.96Å; C42-F76 HydrophobicContact CB-CZ 3.82Å; C42-F76 WeakPolarHBondContact SG-CE1 3.39Å; F76-Y80 AromaticContact CD1-CD1 3.77Å; F76-Y80 HydrophobicContact CD1-CD1 3.77Å; F76-Y80 AromaticContact CD1-CD2 3.76Å; F76-Y80 HydrophobicContact CD1-CD2 3.76Å; F76-Y80 AromaticContact CD1-CE1 3.9Å; F76-Y80 HydrophobicContact CD1-CE1 3.9Å; F76-Y80 AromaticContact CD1-CE2 3.86Å; F76-Y80 HydrophobicContact CD1-CE2 3.86Å; F76-Y80 AromaticContact CD1-CG 3.7Å; F76-Y80 HydrophobicContact CD1-CG 3.7Å; F76-Y80 AromaticContact CD1-CZ 3.95Å; F76-Y80 HydrophobicContact CE1-CD1 4.11Å; F76-Y80 HydrophobicContact CE1-CD2 4.46Å; F76-Y80 AromaticContact CE1-CE1 3.8Å; F76-Y80 HydrophobicContact CE1-CE1 3.8Å; F76-Y80 HydrophobicContact CE1-CE2 4.14Å; F76-Y80 HydrophobicContact CE1-CG 4.43Å; F76-Y80 AromaticContact CE1-CZ 3.81Å; F76-Y106 AromaticContact CE1-CD2 3.97Å; F76-Y106 HydrophobicContact CE1-CD2 3.97Å; F76-Y106 HydrophobicContact CE1-CE2 4.02Å; F76-Y106 HydrophobicContact CZ-CD2 4.12Å; F76-Y106 AromaticContact CZ-CE2 3.77Å; F76-Y106 HydrophobicContact CZ-CE2 3.77Å; F76-I193 HydrophobicContact CE1-CD1 4.49Å; F76-I193 HydrophobicContact CZ-CG1 4.46Å
77	P	93.6	Very high	92.9	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.019	24%	0.235	C	C	.	.			trans	-70	159.5	167.1	28.9	-35.3	0	0	0	111	L27 G57 S79 Y80	L27-P77 HydrophobicContact CD1-CB 3.9Å; L27-P77 HydrophobicContact CD1-CG 3.95Å; G57-P77 WeakPolarHBondContact O-CG 3.37Å; P77-S79 PolarHBondContact O-N 2.96Å; P77-S79 VanDerWaalsContact O-N 3.14Å; P77-Y80 HydrophobicContact CG-CD2 4.17Å; P77-Y80 WeakPolarHBondContact O-CB 3.47Å; P77-Y80 PolarHBondContact O-N 2.87Å; P77-Y80 VanDerWaalsContact O-N 3.13Å
78	K	88.5	Confident	93.3	Very high	124 Å²	124	46.7 Å²	46.7	54%	0.539	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.6	173.2	-67	-171.7	178.3	-175.1	0	113.4	I34	I34-K78 HydrophobicContact CD1-CG 4.19Å; I34-K78 HydrophobicContact CG1-CG 4.19Å
79	S	89.4	Confident	93.9	Very high	70 Å²	70	49.6 Å²	49.6	49%	0.49	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	9.7	179.6	69	0	0	0	0	114.3	Q30 P77	Q30-S79 VanDerWaalsContact OE1-CB 3.25Å; Q30-S79 PolarHBondContact OE1-OG 3.01Å; P77-S79 PolarHBondContact O-N 2.96Å; P77-S79 VanDerWaalsContact O-N 3.14Å
80	Y	93.5	Very high	94.5	Very high	8 Å²	8	51 Å²	51	3%	0.031	27%	0.265	C	S	.	.			trans	-58.6	141.1	-179.5	-162	-97.1	0	0	0	111	R56 C58 F76 P77 T82 Y106 I193	R56-Y80 VanDerWaalsContact O-CE2 3.25Å; R56-Y80 WeakPolarHBondContact O-CE2 3.4Å; R56-Y80 PolarHBondContact O-OH 3.13Å; C58-Y80 VanDerWaalsContact SG-CE2 3.55Å; F76-Y80 AromaticContact CD1-CD1 3.77Å; F76-Y80 HydrophobicContact CD1-CD1 3.77Å; F76-Y80 AromaticContact CD1-CD2 3.76Å; F76-Y80 HydrophobicContact CD1-CD2 3.76Å; F76-Y80 AromaticContact CD1-CE1 3.9Å; F76-Y80 HydrophobicContact CD1-CE1 3.9Å; F76-Y80 AromaticContact CD1-CE2 3.86Å; F76-Y80 HydrophobicContact CD1-CE2 3.86Å; F76-Y80 AromaticContact CD1-CG 3.7Å; F76-Y80 HydrophobicContact CD1-CG 3.7Å; F76-Y80 AromaticContact CD1-CZ 3.95Å; F76-Y80 HydrophobicContact CE1-CD1 4.11Å; F76-Y80 HydrophobicContact CE1-CD2 4.46Å; F76-Y80 AromaticContact CE1-CE1 3.8Å; F76-Y80 HydrophobicContact CE1-CE1 3.8Å; F76-Y80 HydrophobicContact CE1-CE2 4.14Å; F76-Y80 HydrophobicContact CE1-CG 4.43Å; F76-Y80 AromaticContact CE1-CZ 3.81Å; P77-Y80 HydrophobicContact CG-CD2 4.17Å; P77-Y80 WeakPolarHBondContact O-CB 3.47Å; P77-Y80 PolarHBondContact O-N 2.87Å; P77-Y80 VanDerWaalsContact O-N 3.13Å; Y80-T82 VanDerWaalsContact O-CG2 3.27Å; Y80-T82 WeakPolarHBondContact O-CG2 3.26Å; Y80-T82 PolarHBondContact O-N 2.84Å; Y80-Y106 PolarHBondContact OH-N 2.92Å; Y80-I193 HydrophobicContact CE1-CD1 4.06Å
81	P	94.5	Very high	94.8	Very high	24 Å²	24	52 Å²	52	16%	0.156	27%	0.265	C	S	.	.			trans	-61.4	128.9	179.2	-25.1	35.4	0	0	0	113.3	N103 K105	P81-N103 HydrophobicContact CB-CB 4.46Å; P81-N103 WeakPolarHBondContact CB-O 3.18Å; P81-N103 HydrophobicContact CG-CB 4.41Å; P81-N103 VanDerWaalsContact CG-O 3.29Å; P81-N103 WeakPolarHBondContact CG-O 3.43Å; P81-K105 HydrophobicContact CG-CD 3.96Å; P81-K105 HydrophobicContact CG-CG 4.27Å
82	T	95.7	Very high	94.8	Very high	18 Å²	18	59.1 Å²	59.1	11%	0.11	30%	0.298	C	S	.	.			trans	-122.4	169.8	-176.8	65.1	0	0	0	0	111.9	Y80 P166	Y80-T82 VanDerWaalsContact O-CG2 3.27Å; Y80-T82 WeakPolarHBondContact O-CG2 3.26Å; Y80-T82 PolarHBondContact O-N 2.84Å; T82-P166 HydrophobicContact CG2-CB 4.31Å; T82-P166 WeakPolarHBondContact OG1-CB 3.42Å
83	Y	97.6	Very high	94.8	Very high	1 Å²	1	61 Å²	61	0%	0.004	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	152.8	171.3	-74.6	-84.3	0	0	0	111	L99 Y100 K101 I111 I114 F167 L192 I194	Y83-L99 HydrophobicContact CD1-CB 3.93Å; Y83-L99 HydrophobicContact CG-CB 4.35Å; Y83-Y100 CarbonylContact C-O 3.54Å; Y83-Y100 WeakPolarHBondContact CA-O 3.45Å; Y83-K101 HydrophobicContact CD1-CB 3.73Å; Y83-K101 HydrophobicContact CD2-CB 4.47Å; Y83-K101 HydrophobicContact CE1-CB 3.69Å; Y83-K101 HydrophobicContact CE2-CB 4.48Å; Y83-K101 HydrophobicContact CE2-CD 4.43Å; Y83-K101 HydrophobicContact CG-CB 4.12Å; Y83-I111 PolarHBondContact OH-O 3.46Å; Y83-I114 HydrophobicContact CD1-CD1 3.92Å; Y83-I114 HydrophobicContact CD1-CG1 3.94Å; Y83-I114 HydrophobicContact CD2-CD1 4.17Å; Y83-I114 HydrophobicContact CE1-CB 4.48Å; Y83-I114 HydrophobicContact CE1-CD1 3.7Å; Y83-I114 HydrophobicContact CE1-CG1 3.72Å; Y83-I114 HydrophobicContact CE1-CG2 4.09Å; Y83-I114 HydrophobicContact CE2-CD1 3.92Å; Y83-I114 HydrophobicContact CG-CD1 4.17Å; Y83-F167 WeakPolarHBondContact O-CB 3.27Å; Y83-F167 PolarHBondContact O-N 2.8Å; Y83-L192 HydrophobicContact CD2-CB 4.24Å; Y83-L192 HydrophobicContact CD2-CD2 3.57Å; Y83-L192 HydrophobicContact CD2-CG 3.64Å; Y83-L192 HydrophobicContact CE2-CD2 4.22Å; Y83-L192 HydrophobicContact CE2-CG 3.88Å; Y83-L192 WeakPolarHBondContact CE2-O 3.36Å; Y83-L192 HydrophobicContact CG-CD2 4.21Å; Y83-I194 HydrophobicContact CE2-CG1 4.49Å
84	Q	97.4	Very high	94.8	Very high	80 Å²	80	59.1 Å²	59.1	37%	0.374	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	146.3	174.1	-58.9	177.9	-0.8	0	0	109.7	Y86 L99 Y100 S164 S165	Q84-Y86 PolarHBondContact O-N 2.8Å; Q84-L99 CarbonylContact O-C 3.38Å; Q84-L99 VanDerWaalsContact O-CA 3.29Å; Q84-L99 WeakPolarHBondContact O-CA 3.26Å; Q84-Y100 PolarHBondContact N-O 2.87Å; Q84-Y100 PolarHBondContact O-N 2.86Å; Q84-S164 CarbonylContact C-O 3.59Å; Q84-S164 VanDerWaalsContact CA-O 3.32Å; Q84-S164 WeakPolarHBondContact CA-O 3.26Å; Q84-S165 VanDerWaalsContact CD-OG 3.25Å; Q84-S165 PolarHBondContact NE2-OG 2.78Å
85	I	97.3	Very high	94.8	Very high	46 Å²	46	60 Å²	60	24%	0.236	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	123.2	173.7	-57.6	-178.1	0	0	0	109.3	V97 L99 M162 S164 F167	I85-V97 HydrophobicContact CB-CG1 4.02Å; I85-V97 HydrophobicContact CD1-CG1 3.74Å; I85-V97 HydrophobicContact CG1-CG1 3.58Å; I85-V97 HydrophobicContact CG2-CG1 3.46Å; I85-V97 VanDerWaalsContact CG2-CG1 3.46Å; I85-L99 HydrophobicContact CB-CD2 4.34Å; I85-L99 HydrophobicContact CG1-CD2 3.63Å; I85-M162 HydrophobicContact CD1-CB 4.42Å; I85-S164 PolarHBondContact N-O 2.79Å; I85-F167 HydrophobicContact CD1-CD2 3.96Å; I85-F167 HydrophobicContact CD1-CE2 4.49Å; I85-F167 HydrophobicContact CG1-CB 4.49Å; I85-F167 HydrophobicContact CG1-CD2 3.75Å
86	Y	95.8	Very high	94.9	Very high	130 Å²	130	62.2 Å²	62.2	51%	0.51	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-18.1	172.2	73.8	-93.3	0	0	0	113.5	Q84 Q98	Q84-Y86 PolarHBondContact O-N 2.8Å; Y86-Q98 HydrophobicContact CD1-CB 4.01Å; Y86-Q98 VanDerWaalsContact CD1-O 3.26Å; Y86-Q98 WeakPolarHBondContact CD1-O 3.13Å; Y86-Q98 HydrophobicContact CD2-CB 4.38Å; Y86-Q98 VanDerWaalsContact CE1-C 3.49Å; Y86-Q98 HydrophobicContact CE1-CB 3.35Å; Y86-Q98 HydrophobicContact CE2-CB 3.77Å; Y86-Q98 HydrophobicContact CE2-CG 4.45Å; Y86-Q98 HydrophobicContact CG-CB 4.49Å; Y86-Q98 PolarHBondContact N-O 3.36Å; Y86-Q98 WeakPolarHBondContact OH-CB 3.16Å
87	S	96.4	Very high	95	Very high	52 Å²	52	61.8 Å²	61.8	36%	0.364	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	155.9	168.1	67.8	0	0	0	0	111.3	V97 Q98	S87-V97 WeakPolarHBondContact O-CA 3.43Å; S87-Q98 PolarHBondContact O-N 3.48Å; S87-Q98 VanDerWaalsContact OG-CB 3.22Å; S87-Q98 WeakPolarHBondContact OG-CB 3.4Å; S87-Q98 WeakPolarHBondContact OG-CG 3.33Å
88	S	95.4	Very high	95.2	Very high	81 Å²	81	63.5 Å²	63.5	57%	0.566	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.2	140.3	175.9	179.5	0	0	0	0	109.6	I96	S88-I96 CarbonylContact C-O 3.46Å; S88-I96 WeakPolarHBondContact CA-O 3.3Å
89	Q	96.3	Very high	95.7	Very high	132 Å²	132	57.6 Å²	57.6	62%	0.617	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129	129.6	176.9	179.7	-179.9	-2.4	0	0	108.4	S95 I96	Q89-S95 CarbonylContact O-C 3.35Å; Q89-S95 VanDerWaalsContact O-CA 3.26Å; Q89-S95 WeakPolarHBondContact O-CA 3.43Å; Q89-S95 WeakPolarHBondContact O-CB 3.48Å; Q89-I96 PolarHBondContact N-O 3.05Å; Q89-I96 PolarHBondContact O-N 3.35Å
90	K	95.8	Very high	96.1	Very high	187 Å²	187	58.5 Å²	58.5	81%	0.813	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	140.2	169.5	-68.9	-172	177.3	-175.3	0	109.9
91	T	94.7	Very high	96.2	Very high	49 Å²	49	58.2 Å²	58.2	30%	0.301	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	170.2	169.9	67.4	0	0	0	0	109	R93 G94 S95 I96	T91-R93 PolarHBondContact O-N 2.87Å; T91-R93 PolarHBondContact OG1-N 2.85Å; T91-G94 PolarHBondContact N-O 3.03Å; T91-G94 PolarHBondContact O-N 3.48Å; T91-G94 VanDerWaalsContact OG1-C 3.23Å; T91-G94 PolarHBondContact OG1-N 3.17Å; T91-G94 VanDerWaalsContact OG1-N 3.1Å; T91-G94 PolarHBondContact OG1-O 2.9Å; T91-S95 PolarHBondContact OG1-N 2.94Å; T91-I96 HydrophobicContact CG2-CD1 3.74Å; T91-I96 HydrophobicContact CG2-CG1 3.75Å
92	E	93.3	Very high	96	Very high	156 Å²	156	60.3 Å²	60.3	73%	0.729	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-31	175.6	-168.6	-173.9	165.3	0	0	112.5	T151	E92-T151 HydrophobicContact CG-CG2 4.13Å; E92-T151 WeakPolarHBondContact OE1-CB 3.31Å; E92-T151 PolarHBondContact OE1-OG1 3.02Å
93	R	93.6	Very high	95.9	Very high	45 Å²	45	63.3 Å²	63.3	17%	0.17	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	16.7	-175.6	-67.8	-179.1	175.2	-89.6	-0.3	113.7	T91 R119 Q120 E149 T151	T91-R93 PolarHBondContact O-N 2.87Å; T91-R93 PolarHBondContact OG1-N 2.85Å; R93-R119 HydrophobicContact CB-CG 4.04Å; R93-R119 CarbonylContact O-C 3.57Å; R93-R119 WeakPolarHBondContact O-CA 3.3Å; R93-Q120 WeakPolarHBondContact O-CB 3.18Å; R93-Q120 WeakPolarHBondContact O-CG 3.48Å; R93-Q120 PolarHBondContact O-N 2.87Å; R93-E149 PolarHBondContact NH1-O 3.12Å; R93-E149 PolarHBondContact NH2-O 2.97Å; R93-T151 HydrophobicContact CG-CG2 3.6Å; R93-T151 VanDerWaalsContact CZ-CG2 3.48Å
94	G	95	Very high	95.6	Very high	24 Å²	24	64.5 Å²	64.5	25%	0.247	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.3	-122.7	-179.4	0	0	0	0	0	113	T91 V118	T91-G94 PolarHBondContact N-O 3.03Å; T91-G94 PolarHBondContact O-N 3.48Å; T91-G94 VanDerWaalsContact OG1-C 3.23Å; T91-G94 PolarHBondContact OG1-N 3.17Å; T91-G94 VanDerWaalsContact OG1-N 3.1Å; T91-G94 PolarHBondContact OG1-O 2.9Å; G94-V118 WeakPolarHBondContact CA-O 3.32Å
95	S	96.7	Very high	95.3	Very high	20 Å²	20	65.3 Å²	65.3	14%	0.14	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	153.3	-177.8	58.9	0	0	0	0	113.5	Q89 T91 E117 V118	Q89-S95 CarbonylContact O-C 3.35Å; Q89-S95 VanDerWaalsContact O-CA 3.26Å; Q89-S95 WeakPolarHBondContact O-CA 3.43Å; Q89-S95 WeakPolarHBondContact O-CB 3.48Å; T91-S95 PolarHBondContact OG1-N 2.94Å; S95-E117 WeakPolarHBondContact O-CA 3.47Å; S95-V118 PolarHBondContact N-O 2.89Å; S95-V118 PolarHBondContact O-N 2.8Å
96	I	97.7	Very high	95	Very high	46 Å²	46	63.4 Å²	63.4	24%	0.236	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.7	167.6	-64.3	168.6	0	0	0	107.3	S88 Q89 T91 S115 F116 E117	S88-I96 CarbonylContact C-O 3.46Å; S88-I96 WeakPolarHBondContact CA-O 3.3Å; Q89-I96 PolarHBondContact N-O 3.05Å; Q89-I96 PolarHBondContact O-N 3.35Å; T91-I96 HydrophobicContact CG2-CD1 3.74Å; T91-I96 HydrophobicContact CG2-CG1 3.75Å; I96-S115 VanDerWaalsContact CG2-OG 3.3Å; I96-S115 WeakPolarHBondContact CG2-OG 3.17Å; I96-F116 CarbonylContact C-O 3.47Å; I96-F116 WeakPolarHBondContact CA-O 3.46Å; I96-E117 HydrophobicContact CG1-CB 4.21Å; I96-E117 HydrophobicContact CG1-CG 4.03Å
97	V	97.3	Very high	94.6	Very high	1 Å²	1	59 Å²	59	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128	-175.5	-178.2	0	0	0	0	108.3	I85 S87 L99 F116 M162	I85-V97 HydrophobicContact CB-CG1 4.02Å; I85-V97 HydrophobicContact CD1-CG1 3.74Å; I85-V97 HydrophobicContact CG1-CG1 3.58Å; I85-V97 HydrophobicContact CG2-CG1 3.46Å; I85-V97 VanDerWaalsContact CG2-CG1 3.46Å; S87-V97 WeakPolarHBondContact O-CA 3.43Å; V97-L99 HydrophobicContact CG1-CD2 3.82Å; V97-F116 HydrophobicContact CB-CB 4.46Å; V97-F116 HydrophobicContact CB-CD1 4.33Å; V97-F116 PolarHBondContact N-O 2.65Å; V97-F116 PolarHBondContact O-N 3.24Å; V97-M162 HydrophobicContact CG2-SD 3.92Å
98	Q	98.1	Very high	94.1	Very high	39 Å²	39	69 Å²	69	18%	0.182	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.4	174.4	-53.8	-60.9	-41.1	0	0	110.3	Y86 S87 S115	Y86-Q98 HydrophobicContact CD1-CB 4.01Å; Y86-Q98 VanDerWaalsContact CD1-O 3.26Å; Y86-Q98 WeakPolarHBondContact CD1-O 3.13Å; Y86-Q98 HydrophobicContact CD2-CB 4.38Å; Y86-Q98 VanDerWaalsContact CE1-C 3.49Å; Y86-Q98 HydrophobicContact CE1-CB 3.35Å; Y86-Q98 HydrophobicContact CE2-CB 3.77Å; Y86-Q98 HydrophobicContact CE2-CG 4.45Å; Y86-Q98 HydrophobicContact CG-CB 4.49Å; Y86-Q98 PolarHBondContact N-O 3.36Å; Y86-Q98 WeakPolarHBondContact OH-CB 3.16Å; S87-Q98 PolarHBondContact O-N 3.48Å; S87-Q98 VanDerWaalsContact OG-CB 3.22Å; S87-Q98 WeakPolarHBondContact OG-CB 3.4Å; S87-Q98 WeakPolarHBondContact OG-CG 3.33Å; Q98-S115 PolarHBondContact NE2-OG 3.49Å; Q98-S115 VanDerWaalsContact NE2-OG 3.09Å
99	L	98.1	Very high	93.9	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.6	-174.3	-58	-179.6	0	0	0	110.6	Y83 Q84 I85 V97 N113 I114 F116 F130 F167	Y83-L99 HydrophobicContact CD1-CB 3.93Å; Y83-L99 HydrophobicContact CG-CB 4.35Å; Q84-L99 CarbonylContact O-C 3.38Å; Q84-L99 VanDerWaalsContact O-CA 3.29Å; Q84-L99 WeakPolarHBondContact O-CA 3.26Å; I85-L99 HydrophobicContact CB-CD2 4.34Å; I85-L99 HydrophobicContact CG1-CD2 3.63Å; V97-L99 HydrophobicContact CG1-CD2 3.82Å; L99-N113 WeakPolarHBondContact O-CA 3.42Å; L99-I114 HydrophobicContact CB-CD1 4.36Å; L99-I114 HydrophobicContact CB-CG1 3.66Å; L99-I114 HydrophobicContact CD1-CD1 4Å; L99-I114 HydrophobicContact CD1-CG1 4.03Å; L99-I114 HydrophobicContact CG-CG1 4.33Å; L99-I114 PolarHBondContact N-O 2.86Å; L99-I114 PolarHBondContact O-N 3.44Å; L99-F116 HydrophobicContact CD1-CB 3.82Å; L99-F116 HydrophobicContact CG-CB 4.29Å; L99-F130 HydrophobicContact CD1-CD1 4.49Å; L99-F130 HydrophobicContact CD1-CE1 4.32Å; L99-F167 HydrophobicContact CD1-CD1 3.62Å; L99-F167 HydrophobicContact CD1-CD2 4.17Å; L99-F167 HydrophobicContact CD1-CE1 3.7Å; L99-F167 HydrophobicContact CD1-CE2 4.2Å; L99-F167 HydrophobicContact CD1-CG 3.87Å; L99-F167 HydrophobicContact CD1-CZ 3.97Å; L99-F167 HydrophobicContact CD2-CB 3.96Å; L99-F167 HydrophobicContact CD2-CD1 4.25Å; L99-F167 HydrophobicContact CD2-CD2 3.49Å; L99-F167 VanDerWaalsContact CD2-CD2 3.49Å; L99-F167 HydrophobicContact CD2-CE2 4.02Å; L99-F167 HydrophobicContact CD2-CG 3.6Å; L99-F167 HydrophobicContact CG-CD2 4.49Å; L99-F167 HydrophobicContact CG-CG 4.4Å
100	Y	97.2	Very high	93.8	Very high	90 Å²	90	63.2 Å²	63.2	35%	0.353	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135	178.3	166.4	-108	0	0	0	111.2	Y83 Q84 S102 K112 N113	Y83-Y100 CarbonylContact C-O 3.54Å; Y83-Y100 WeakPolarHBondContact CA-O 3.45Å; Q84-Y100 PolarHBondContact N-O 2.87Å; Q84-Y100 PolarHBondContact O-N 2.86Å; Y100-S102 VanDerWaalsContact CE1-CA 3.49Å; Y100-S102 VanDerWaalsContact CZ-CA 3.42Å; Y100-S102 WeakPolarHBondContact OH-CA 3.47Å; Y100-K112 CarbonylContact C-O 3.39Å; Y100-K112 VanDerWaalsContact CA-O 3.32Å; Y100-K112 WeakPolarHBondContact CA-O 3.28Å; Y100-K112 HydrophobicContact CD2-CB 4.48Å; Y100-K112 HydrophobicContact CE2-CB 4.44Å; Y100-N113 VanDerWaalsContact CD2-OD1 3.3Å; Y100-N113 WeakPolarHBondContact CD2-OD1 3.45Å
101	K	96.1	Very high	93.8	Very high	1 Å²	1	55.6 Å²	55.6	0%	0.004	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117	170.1	-176.5	175.9	-62.9	-173.5	0	109.6	Y83 P104 E110 K112 L192	Y83-K101 HydrophobicContact CD1-CB 3.73Å; Y83-K101 HydrophobicContact CD2-CB 4.47Å; Y83-K101 HydrophobicContact CE1-CB 3.69Å; Y83-K101 HydrophobicContact CE2-CB 4.48Å; Y83-K101 HydrophobicContact CE2-CD 4.43Å; Y83-K101 HydrophobicContact CG-CB 4.12Å; K101-P104 HydrophobicContact CB-CG 4.4Å; K101-P104 HydrophobicContact CD-CB 4.2Å; K101-P104 HydrophobicContact CD-CG 4.33Å; K101-P104 HydrophobicContact CG-CG 4.2Å; K101-P104 WeakPolarHBondContact O-CD 3.46Å; K101-E110 VanDerWaalsContact CD-OE1 3.32Å; K101-E110 WeakPolarHBondContact CD-OE1 3.24Å; K101-E110 WeakPolarHBondContact CE-OE1 3.22Å; K101-E110 IonicContact NZ-OE1 3.97Å; K101-E110 PolarHBondContact NZ-OE1 2.97Å; K101-K112 PolarHBondContact N-O 3.39Å; K101-L192 PolarHBondContact NZ-O 3.37Å
102	S	91.3	Very high	93.9	Very high	68 Å²	68	58.7 Å²	58.7	48%	0.476	28%	0.278	S	S	.	.	S	Bend	trans	-68.3	-39.4	-172	58.9	0	0	0	0	114.3	Y100	Y100-S102 VanDerWaalsContact CE1-CA 3.49Å; Y100-S102 VanDerWaalsContact CZ-CA 3.42Å; Y100-S102 WeakPolarHBondContact OH-CA 3.47Å
103	N	91.8	Very high	94.1	Very high	82 Å²	82	54.9 Å²	54.9	44%	0.439	26%	0.263	S	S	.	.	S	Bend	trans	-134.6	73.4	-176.6	-169.3	14.5	0	0	0	110.5	P81 K105	P81-N103 HydrophobicContact CB-CB 4.46Å; P81-N103 WeakPolarHBondContact CB-O 3.18Å; P81-N103 HydrophobicContact CG-CB 4.41Å; P81-N103 VanDerWaalsContact CG-O 3.29Å; P81-N103 WeakPolarHBondContact CG-O 3.43Å; N103-K105 WeakPolarHBondContact ND2-CE 3.39Å; N103-K105 PolarHBondContact O-N 3.01Å
104	P	92.6	Very high	94.3	Very high	26 Å²	26	52.8 Å²	52.8	17%	0.169	26%	0.255	C	S	.	.			trans	-58.7	135.3	172.3	-15.9	29	0	0	0	110.2	K101 E110 K112	K101-P104 HydrophobicContact CB-CG 4.4Å; K101-P104 HydrophobicContact CD-CB 4.2Å; K101-P104 HydrophobicContact CD-CG 4.33Å; K101-P104 HydrophobicContact CG-CG 4.2Å; K101-P104 WeakPolarHBondContact O-CD 3.46Å; P104-E110 WeakPolarHBondContact CA-OE2 3.41Å; P104-E110 HydrophobicContact CB-CB 3.67Å; P104-E110 HydrophobicContact CB-CG 3.73Å; P104-E110 VanDerWaalsContact CB-OE2 3.29Å; P104-E110 WeakPolarHBondContact CB-OE2 3.4Å; P104-K112 HydrophobicContact CG-CG 3.55Å
105	K	90.5	Very high	94.4	Very high	97 Å²	97	52.1 Å²	52.1	42%	0.422	25%	0.247	S	C	.	.			trans	-133.8	-12.5	-171.7	-75.8	-170.8	-177.4	-173.5	0	114	P81 N103 E110	P81-K105 HydrophobicContact CG-CD 3.96Å; P81-K105 HydrophobicContact CG-CG 4.27Å; N103-K105 WeakPolarHBondContact ND2-CE 3.39Å; N103-K105 PolarHBondContact O-N 3.01Å; K105-E110 PolarHBondContact N-OE2 2.95Å
106	Y	90.6	Very high	94.5	Very high	6 Å²	6	51.1 Å²	51.1	2%	0.024	24%	0.24	C	C	.	.	S	Bend	trans	-74.4	-53.8	-168.8	-164.3	-90.9	0	0	0	111.4	C42 P44 R56 F76 Y80 E110 I193 F198	C42-Y106 VanDerWaalsContact O-CE2 3.26Å; C42-Y106 WeakPolarHBondContact O-CE2 3.49Å; C42-Y106 PolarHBondContact O-OH 2.93Å; P44-Y106 WeakPolarHBondContact CD-OH 3.19Å; R56-Y106 PolarHBondContact NH1-OH 3.23Å; F76-Y106 AromaticContact CE1-CD2 3.97Å; F76-Y106 HydrophobicContact CE1-CD2 3.97Å; F76-Y106 HydrophobicContact CE1-CE2 4.02Å; F76-Y106 HydrophobicContact CZ-CD2 4.12Å; F76-Y106 AromaticContact CZ-CE2 3.77Å; F76-Y106 HydrophobicContact CZ-CE2 3.77Å; Y80-Y106 PolarHBondContact OH-N 2.92Å; Y106-E110 WeakPolarHBondContact CB-OE2 3.36Å; Y106-E110 PolarHBondContact N-OE2 3.35Å; Y106-I193 HydrophobicContact CD1-CG2 3.78Å; Y106-I193 HydrophobicContact CD2-CD1 4.13Å; Y106-I193 HydrophobicContact CD2-CG1 4.08Å; Y106-I193 HydrophobicContact CG-CD1 4.19Å; Y106-I193 HydrophobicContact CG-CG1 4.12Å; Y106-I193 HydrophobicContact CG-CG2 3.82Å; Y106-F198 HydrophobicContact CD1-CD1 4.15Å; Y106-F198 HydrophobicContact CD1-CE1 4.11Å; Y106-F198 AromaticContact CE1-CD1 3.72Å; Y106-F198 HydrophobicContact CE1-CD1 3.72Å; Y106-F198 AromaticContact CE1-CE1 3.37Å; Y106-F198 HydrophobicContact CE1-CE1 3.37Å; Y106-F198 AromaticContact CE1-CZ 3.95Å; Y106-F198 HydrophobicContact CE1-CZ 3.95Å; Y106-F198 AromaticContact CZ-CE1 3.74Å
107	Y	88.5	Confident	94.5	Very high	37 Å²	37	50.5 Å²	50.5	15%	0.145	24%	0.236	C	C	.	.	S	Bend	trans	-127.8	157.4	169.2	-65.7	-48.1	0	0	0	110.6	E45 N109 E110 F198	E45-Y107 PolarHBondContact OE1-OH 2.85Å; Y107-N109 WeakPolarHBondContact CB-OD1 3.17Å; Y107-N109 PolarHBondContact O-N 2.88Å; Y107-N109 VanDerWaalsContact O-N 3.16Å; Y107-E110 VanDerWaalsContact O-CB 3.32Å; Y107-E110 WeakPolarHBondContact O-CB 3.44Å; Y107-E110 PolarHBondContact O-N 2.81Å; Y107-E110 VanDerWaalsContact O-N 3.1Å; Y107-F198 HydrophobicContact CD2-CB 4.07Å; Y107-F198 HydrophobicContact CD2-CD1 4.45Å; Y107-F198 HydrophobicContact CD2-CG 4.47Å; Y107-F198 HydrophobicContact CE2-CB 3.47Å; Y107-F198 VanDerWaalsContact CE2-CB 3.47Å; Y107-F198 AromaticContact CE2-CD1 3.79Å; Y107-F198 HydrophobicContact CE2-CD1 3.79Å; Y107-F198 HydrophobicContact CE2-CD2 4.28Å; Y107-F198 AromaticContact CE2-CG 3.61Å; Y107-F198 HydrophobicContact CE2-CG 3.61Å
108	R	86.5	Confident	94.5	Very high	262 Å²	262	50.8 Å²	50.8	99%	0.989	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.3	178.6	-172.3	177.7	180	-174.7	0.5	113
109	N	89.3	Confident	94.4	Very high	79 Å²	79	51.1 Å²	51.1	42%	0.422	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	20.6	-179.8	65.4	-17.9	0	0	0	113.2	Y107 I111	Y107-N109 WeakPolarHBondContact CB-OD1 3.17Å; Y107-N109 PolarHBondContact O-N 2.88Å; Y107-N109 VanDerWaalsContact O-N 3.16Å; N109-I111 PolarHBondContact O-N 3.14Å
110	E	95.1	Very high	94.4	Very high	12 Å²	12	54.2 Å²	54.2	6%	0.056	25%	0.252	C	S	.	.			trans	-62.9	133.5	173.7	-171.1	-176.3	175.7	0	0	110.6	K101 P104 K105 Y106 Y107 K112 I193 S195	K101-E110 VanDerWaalsContact CD-OE1 3.32Å; K101-E110 WeakPolarHBondContact CD-OE1 3.24Å; K101-E110 WeakPolarHBondContact CE-OE1 3.22Å; K101-E110 IonicContact NZ-OE1 3.97Å; K101-E110 PolarHBondContact NZ-OE1 2.97Å; P104-E110 WeakPolarHBondContact CA-OE2 3.41Å; P104-E110 HydrophobicContact CB-CB 3.67Å; P104-E110 HydrophobicContact CB-CG 3.73Å; P104-E110 VanDerWaalsContact CB-OE2 3.29Å; P104-E110 WeakPolarHBondContact CB-OE2 3.4Å; K105-E110 PolarHBondContact N-OE2 2.95Å; Y106-E110 WeakPolarHBondContact CB-OE2 3.36Å; Y106-E110 PolarHBondContact N-OE2 3.35Å; Y107-E110 VanDerWaalsContact O-CB 3.32Å; Y107-E110 WeakPolarHBondContact O-CB 3.44Å; Y107-E110 PolarHBondContact O-N 2.81Å; Y107-E110 VanDerWaalsContact O-N 3.1Å; E110-K112 PolarHBondContact O-N 3.29Å; E110-I193 HydrophobicContact CG-CG2 4.33Å; E110-S195 WeakPolarHBondContact CA-OG 3.47Å
111	I	96.3	Very high	94.4	Very high	27 Å²	27	50 Å²	50	14%	0.138	24%	0.235	C	C	.	.			trans	-82.8	118.8	-167.8	-57.2	-67.3	0	0	0	110.2	Y83 N109 N113 I114 I132 I194	Y83-I111 PolarHBondContact OH-O 3.46Å; N109-I111 PolarHBondContact O-N 3.14Å; I111-N113 VanDerWaalsContact CG2-O 3.28Å; I111-N113 WeakPolarHBondContact CG2-O 2.99Å; I111-I114 HydrophobicContact CB-CG2 4.27Å; I111-I114 HydrophobicContact CG2-CG2 3.77Å; I111-I132 HydrophobicContact CB-CD1 4.44Å; I111-I132 HydrophobicContact CD1-CD1 4.21Å; I111-I132 HydrophobicContact CG1-CD1 3.74Å; I111-I132 HydrophobicContact CG1-CG1 4.5Å; I111-I132 HydrophobicContact CG2-CD1 4.29Å; I111-I132 HydrophobicContact CG2-CG1 4.16Å; I111-I132 HydrophobicContact CG2-CG2 3.89Å; I111-I194 HydrophobicContact CB-CG2 4.29Å; I111-I194 WeakPolarHBondContact CB-O 3.12Å; I111-I194 HydrophobicContact CG1-CG2 4.28Å; I111-I194 WeakPolarHBondContact CG1-O 2.99Å; I111-I194 PolarHBondContact N-O 3.25Å
112	K	96.4	Very high	94.4	Very high	114 Å²	114	50.6 Å²	50.6	50%	0.496	24%	0.239	S	C	.	.	S	Bend	trans	-68.6	-41.5	-178	-73.8	-178.6	178.2	-175.3	0	114	Y100 K101 P104 E110	Y100-K112 CarbonylContact C-O 3.39Å; Y100-K112 VanDerWaalsContact CA-O 3.32Å; Y100-K112 WeakPolarHBondContact CA-O 3.28Å; Y100-K112 HydrophobicContact CD2-CB 4.48Å; Y100-K112 HydrophobicContact CE2-CB 4.44Å; K101-K112 PolarHBondContact N-O 3.39Å; P104-K112 HydrophobicContact CG-CG 3.55Å; E110-K112 PolarHBondContact O-N 3.29Å
113	N	97.2	Very high	94.7	Very high	77 Å²	77	48.4 Å²	48.4	41%	0.412	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121.9	-173.6	-62.9	-50.2	0	0	0	109.9	L99 Y100 I111	L99-N113 WeakPolarHBondContact O-CA 3.42Å; Y100-N113 VanDerWaalsContact CD2-OD1 3.3Å; Y100-N113 WeakPolarHBondContact CD2-OD1 3.45Å; I111-N113 VanDerWaalsContact CG2-O 3.28Å; I111-N113 WeakPolarHBondContact CG2-O 2.99Å
114	I	97.6	Very high	95	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	161.7	176.1	68.7	177.8	0	0	0	109.5	Y83 L99 I111 F130 T131 I132 L192 I194	Y83-I114 HydrophobicContact CD1-CD1 3.92Å; Y83-I114 HydrophobicContact CD1-CG1 3.94Å; Y83-I114 HydrophobicContact CD2-CD1 4.17Å; Y83-I114 HydrophobicContact CE1-CB 4.48Å; Y83-I114 HydrophobicContact CE1-CD1 3.7Å; Y83-I114 HydrophobicContact CE1-CG1 3.72Å; Y83-I114 HydrophobicContact CE1-CG2 4.09Å; Y83-I114 HydrophobicContact CE2-CD1 3.92Å; Y83-I114 HydrophobicContact CG-CD1 4.17Å; L99-I114 HydrophobicContact CB-CD1 4.36Å; L99-I114 HydrophobicContact CB-CG1 3.66Å; L99-I114 HydrophobicContact CD1-CD1 4Å; L99-I114 HydrophobicContact CD1-CG1 4.03Å; L99-I114 HydrophobicContact CG-CG1 4.33Å; L99-I114 PolarHBondContact N-O 2.86Å; L99-I114 PolarHBondContact O-N 3.44Å; I111-I114 HydrophobicContact CB-CG2 4.27Å; I111-I114 HydrophobicContact CG2-CG2 3.77Å; I114-F130 HydrophobicContact CD1-CD1 4.16Å; I114-T131 WeakPolarHBondContact CA-O 3.48Å; I114-T131 WeakPolarHBondContact CB-O 3.32Å; I114-I132 HydrophobicContact CG2-CG1 4.38Å; I114-L192 HydrophobicContact CD1-CD2 4.34Å; I114-I194 HydrophobicContact CD1-CG1 3.91Å; I114-I194 HydrophobicContact CG2-CB 4.17Å; I114-I194 HydrophobicContact CG2-CG1 4.35Å; I114-I194 HydrophobicContact CG2-CG2 4.06Å
115	S	97.9	Very high	95.2	Very high	10 Å²	10	44.4 Å²	44.4	7%	0.07	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.6	175.3	179.4	0	0	0	0	109.4	I96 Q98 F130 T131	I96-S115 VanDerWaalsContact CG2-OG 3.3Å; I96-S115 WeakPolarHBondContact CG2-OG 3.17Å; Q98-S115 PolarHBondContact NE2-OG 3.49Å; Q98-S115 VanDerWaalsContact NE2-OG 3.09Å; S115-F130 CarbonylContact O-C 3.6Å; S115-F130 WeakPolarHBondContact O-CA 3.35Å; S115-T131 PolarHBondContact N-O 3.16Å; S115-T131 PolarHBondContact O-N 2.95Å; S115-T131 PolarHBondContact O-OG1 2.83Å
116	F	98.1	Very high	95.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.5	176.1	172.2	-119.9	0	0	0	109.8	I96 V97 L99 V118 L128 R129 F130 M162 F167 L169	I96-F116 CarbonylContact C-O 3.47Å; I96-F116 WeakPolarHBondContact CA-O 3.46Å; V97-F116 HydrophobicContact CB-CB 4.46Å; V97-F116 HydrophobicContact CB-CD1 4.33Å; V97-F116 PolarHBondContact N-O 2.65Å; V97-F116 PolarHBondContact O-N 3.24Å; L99-F116 HydrophobicContact CD1-CB 3.82Å; L99-F116 HydrophobicContact CG-CB 4.29Å; F116-V118 HydrophobicContact CD1-CG2 4.17Å; F116-V118 HydrophobicContact CE1-CG2 3.27Å; F116-V118 HydrophobicContact CE2-CG2 4.15Å; F116-V118 HydrophobicContact CZ-CG2 3.26Å; F116-L128 HydrophobicContact CE2-CB 4.09Å; F116-L128 HydrophobicContact CE2-CD2 4.29Å; F116-L128 HydrophobicContact CZ-CD2 4.01Å; F116-R129 CarbonylContact C-O 3.5Å; F116-R129 VanDerWaalsContact CA-O 3.28Å; F116-R129 WeakPolarHBondContact CA-O 3.3Å; F116-F130 HydrophobicContact CB-CD1 4.16Å; F116-F130 HydrophobicContact CB-CE1 4.15Å; F116-F130 AromaticContact CD2-CD1 3.81Å; F116-F130 HydrophobicContact CD2-CD1 3.81Å; F116-F130 HydrophobicContact CD2-CD2 4.01Å; F116-F130 AromaticContact CD2-CE1 3.45Å; F116-F130 HydrophobicContact CD2-CE1 3.45Å; F116-F130 VanDerWaalsContact CD2-CE1 3.45Å; F116-F130 AromaticContact CD2-CE2 3.66Å; F116-F130 HydrophobicContact CD2-CE2 3.66Å; F116-F130 HydrophobicContact CD2-CG 4.08Å; F116-F130 AromaticContact CD2-CZ 3.36Å; F116-F130 HydrophobicContact CD2-CZ 3.36Å; F116-F130 HydrophobicContact CE2-CD2 4.33Å; F116-F130 HydrophobicContact CE2-CE1 4.03Å; F116-F130 AromaticContact CE2-CE2 3.62Å; F116-F130 HydrophobicContact CE2-CE2 3.62Å; F116-F130 AromaticContact CE2-CZ 3.45Å; F116-F130 HydrophobicContact CE2-CZ 3.45Å; F116-F130 VanDerWaalsContact CE2-CZ 3.45Å; F116-F130 HydrophobicContact CG-CD1 4.33Å; F116-F130 AromaticContact CG-CE1 3.95Å; F116-F130 HydrophobicContact CG-CE1 3.95Å; F116-F130 HydrophobicContact CG-CZ 4.22Å; F116-F130 HydrophobicContact CZ-CZ 4.35Å; F116-M162 HydrophobicContact CD1-CE 4.49Å; F116-M162 HydrophobicContact CD1-SD 4.27Å; F116-M162 HydrophobicContact CE1-CE 3.78Å; F116-M162 HydrophobicContact CE1-SD 3.87Å; F116-F167 HydrophobicContact CB-CZ 4.44Å; F116-F167 AromaticContact CD1-CE2 3.7Å; F116-F167 HydrophobicContact CD1-CE2 3.7Å; F116-F167 AromaticContact CD1-CZ 3.48Å; F116-F167 HydrophobicContact CD1-CZ 3.48Å; F116-F167 VanDerWaalsContact CD1-CZ 3.48Å; F116-F167 HydrophobicContact CD2-CZ 4.4Å; F116-F167 AromaticContact CE1-CE2 3.98Å; F116-F167 HydrophobicContact CE1-CE2 3.98Å; F116-F167 AromaticContact CE1-CZ 3.68Å; F116-F167 HydrophobicContact CE1-CZ 3.68Å; F116-F167 HydrophobicContact CG-CE2 4.41Å; F116-F167 AromaticContact CG-CZ 3.86Å; F116-F167 HydrophobicContact CG-CZ 3.86Å; F116-F167 HydrophobicContact CZ-CZ 4.22Å; F116-L169 HydrophobicContact CE1-CD2 4.34Å; F116-L169 HydrophobicContact CE2-CD2 4.26Å; F116-L169 HydrophobicContact CZ-CD2 3.75Å
117	E	98	Very high	95.9	Very high	32 Å²	32	40.5 Å²	40.5	15%	0.15	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.9	176.6	-179.9	-171.2	-175.1	0	0	109.6	S95 I96 R119 L128 R129	S95-E117 WeakPolarHBondContact O-CA 3.47Å; I96-E117 HydrophobicContact CG1-CB 4.21Å; I96-E117 HydrophobicContact CG1-CG 4.03Å; E117-R119 HydrophobicContact CG-CB 4.39Å; E117-L128 WeakPolarHBondContact O-CA 3.47Å; E117-R129 HydrophobicContact CB-CB 4.25Å; E117-R129 PolarHBondContact N-O 2.91Å; E117-R129 PolarHBondContact O-N 2.83Å; E117-R129 WeakPolarHBondContact OE2-CD 3.22Å; E117-R129 IonicContact OE2-CZ 2.87Å; E117-R129 IonicContact OE2-NH1 3.72Å; E117-R129 PolarHBondContact OE2-NH1 3.41Å
118	V	97.7	Very high	96.4	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	118.5	163.9	179.5	0	0	0	0	108.3	G94 S95 F116 L126 L128 V160 M162	G94-V118 WeakPolarHBondContact CA-O 3.32Å; S95-V118 PolarHBondContact N-O 2.89Å; S95-V118 PolarHBondContact O-N 2.8Å; F116-V118 HydrophobicContact CD1-CG2 4.17Å; F116-V118 HydrophobicContact CE1-CG2 3.27Å; F116-V118 HydrophobicContact CE2-CG2 4.15Å; F116-V118 HydrophobicContact CZ-CG2 3.26Å; V118-L126 HydrophobicContact CG1-CD1 3.53Å; V118-L128 HydrophobicContact CB-CD2 4.4Å; V118-L128 HydrophobicContact CG1-CD2 4.15Å; V118-L128 HydrophobicContact CG2-CD2 3.82Å; V118-V160 HydrophobicContact CG1-CB 4.49Å; V118-V160 HydrophobicContact CG1-CG1 4.41Å; V118-V160 HydrophobicContact CG1-CG2 4.07Å; V118-V160 HydrophobicContact CG2-CG1 4.46Å; V118-M162 HydrophobicContact CB-CE 4.04Å; V118-M162 HydrophobicContact CG2-CE 3.27Å
119	R	96.7	Very high	97	Very high	47 Å²	47	28 Å²	28	18%	0.177	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	118.4	-178.4	-171.8	173.8	75.5	-168.2	14.9	110.9	R93 E117 E121 L126 R127	R93-R119 HydrophobicContact CB-CG 4.04Å; R93-R119 CarbonylContact O-C 3.57Å; R93-R119 WeakPolarHBondContact O-CA 3.3Å; E117-R119 HydrophobicContact CG-CB 4.39Å; R119-E121 IonicContact CZ-OE1 2.71Å; R119-E121 IonicContact NE-OE1 3.14Å; R119-E121 PolarHBondContact NE-OE1 2.8Å; R119-E121 IonicContact NH2-OE1 3.1Å; R119-E121 PolarHBondContact NH2-OE1 3.22Å; R119-E121 PolarHBondContact O-N 2.8Å; R119-L126 WeakPolarHBondContact O-CD1 3.46Å; R119-R127 HydrophobicContact CB-CB 4.39Å; R119-R127 PolarHBondContact N-O 3.32Å; R119-R127 VanDerWaalsContact NH2-CD 3.28Å; R119-R127 PolarHBondContact O-N 2.84Å
120	Q	96.8	Very high	97.4	Very high	64 Å²	64	24.5 Å²	24.5	30%	0.299	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	112.8	171.4	-56.5	-173.9	-35.7	0	0	108.4	R93 L126 I153 Y158	R93-Q120 WeakPolarHBondContact O-CB 3.18Å; R93-Q120 WeakPolarHBondContact O-CG 3.48Å; R93-Q120 PolarHBondContact O-N 2.87Å; Q120-L126 HydrophobicContact CG-CD1 4.46Å; Q120-I153 HydrophobicContact CB-CD1 3.71Å; Q120-I153 VanDerWaalsContact O-CD1 3.29Å; Q120-I153 WeakPolarHBondContact O-CD1 3.17Å; Q120-Y158 VanDerWaalsContact CA-OH 3.28Å; Q120-Y158 WeakPolarHBondContact CA-OH 3.37Å; Q120-Y158 VanDerWaalsContact CB-OH 3.31Å; Q120-Y158 WeakPolarHBondContact CB-OH 3.2Å; Q120-Y158 HydrophobicContact CG-CE2 3.99Å
121	E	96.9	Very high	97.5	Very high	3 Å²	3	25.7 Å²	25.7	1%	0.014	13%	0.125	C	C	.	.			trans	-97.4	-44	-177.7	-64	-159.1	153.3	0	0	112.3	R119 R125 R127 L148 E149 F294	R119-E121 IonicContact CZ-OE1 2.71Å; R119-E121 IonicContact NE-OE1 3.14Å; R119-E121 PolarHBondContact NE-OE1 2.8Å; R119-E121 IonicContact NH2-OE1 3.1Å; R119-E121 PolarHBondContact NH2-OE1 3.22Å; R119-E121 PolarHBondContact O-N 2.8Å; E121-R125 HydrophobicContact CB-CB 4.5Å; E121-R125 HydrophobicContact CB-CG 4.47Å; E121-R125 PolarHBondContact N-O 3.3Å; E121-R125 VanDerWaalsContact N-O 3.09Å; E121-R125 IonicContact OE2-CZ 2.76Å; E121-R125 IonicContact OE2-NE 3.88Å; E121-R125 PolarHBondContact OE2-NE 3.48Å; E121-R125 IonicContact OE2-NH2 3.97Å; E121-R127 HydrophobicContact CG-CB 4.06Å; E121-R127 VanDerWaalsContact OE1-CD 3.25Å; E121-R127 WeakPolarHBondContact OE1-CD 3.35Å; E121-R127 IonicContact OE1-NH1 3.75Å; E121-L148 HydrophobicContact CB-CD2 3.62Å; E121-L148 HydrophobicContact CG-CD2 3.58Å; E121-E149 PolarHBondContact O-N 2.69Å; E121-F294 WeakPolarHBondContact OE2-CE1 3.44Å
122	T	97.4	Very high	97.5	Very high	12 Å²	12	24.7 Å²	24.7	7%	0.074	12%	0.12	C	C	.	.	S	Bend	trans	-141.6	175.6	175.3	77.4	0	0	0	0	109.8	T124 R125 E149 Y158	T122-T124 PolarHBondContact O-N 2.85Å; T122-T124 VanDerWaalsContact O-N 3.12Å; T122-T124 PolarHBondContact OG1-N 2.76Å; T122-T124 VanDerWaalsContact OG1-N 3.15Å; T122-T124 PolarHBondContact OG1-OG1 3.44Å; T122-R125 HydrophobicContact CG2-CB 4.2Å; T122-R125 PolarHBondContact N-O 3.28Å; T122-R125 VanDerWaalsContact N-O 3.12Å; T122-R125 WeakPolarHBondContact OG1-CB 3.4Å; T122-R125 PolarHBondContact OG1-N 2.88Å; T122-E149 WeakPolarHBondContact CA-OE2 3.41Å; T122-E149 WeakPolarHBondContact CB-OE1 3.34Å; T122-E149 HydrophobicContact CG2-CG 4.02Å; T122-Y158 WeakPolarHBondContact O-CE1 3.22Å; T122-Y158 PolarHBondContact O-OH 3.36Å
123	S	96.8	Very high	97.4	Very high	22 Å²	22	22 Å²	22	15%	0.154	11%	0.114	C	C	.	.	S	Bend	trans	-55.3	-23	171.8	59.5	0	0	0	0	113.9	E149 A154 Q157	S123-E149 PolarHBondContact N-OE2 2.82Å; S123-E149 PolarHBondContact OG-OE1 2.73Å; S123-A154 WeakPolarHBondContact CB-O 3.43Å; S123-Q157 WeakPolarHBondContact O-CB 3.08Å; S123-Q157 PolarHBondContact O-N 3.2Å
124	T	97.2	Very high	97.2	Very high	18 Å²	18	23.2 Å²	23.2	11%	0.11	13%	0.129	C	C	.	.	S	Bend	trans	-126.7	-6.3	-176.4	54.8	0	0	0	0	115	T122 Q157 F296 T297	T122-T124 PolarHBondContact O-N 2.85Å; T122-T124 VanDerWaalsContact O-N 3.12Å; T122-T124 PolarHBondContact OG1-N 2.76Å; T122-T124 VanDerWaalsContact OG1-N 3.15Å; T122-T124 PolarHBondContact OG1-OG1 3.44Å; T124-Q157 HydrophobicContact CG2-CB 4.42Å; T124-Q157 HydrophobicContact CG2-CG 4.14Å; T124-F296 WeakPolarHBondContact O-CA 3.31Å; T124-T297 WeakPolarHBondContact CA-OG1 3.48Å; T124-T297 WeakPolarHBondContact CB-OG1 3.35Å; T124-T297 PolarHBondContact O-N 2.89Å; T124-T297 PolarHBondContact O-OG1 2.79Å
125	R	98	Very high	97	Very high	7 Å²	7	26.2 Å²	26.2	3%	0.026	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.2	-179.6	-170.2	169.9	72.3	-134	-1.6	111.7	E121 T122 R147 Y158 F294 V295 F296	E121-R125 HydrophobicContact CB-CB 4.5Å; E121-R125 HydrophobicContact CB-CG 4.47Å; E121-R125 PolarHBondContact N-O 3.3Å; E121-R125 VanDerWaalsContact N-O 3.09Å; E121-R125 IonicContact OE2-CZ 2.76Å; E121-R125 IonicContact OE2-NE 3.88Å; E121-R125 PolarHBondContact OE2-NE 3.48Å; E121-R125 IonicContact OE2-NH2 3.97Å; T122-R125 HydrophobicContact CG2-CB 4.2Å; T122-R125 PolarHBondContact N-O 3.28Å; T122-R125 VanDerWaalsContact N-O 3.12Å; T122-R125 WeakPolarHBondContact OG1-CB 3.4Å; T122-R125 PolarHBondContact OG1-N 2.88Å; R125-R147 PolarHBondContact NH2-O 3.26Å; R125-Y158 PolarHBondContact O-OH 2.87Å; R125-F294 HydrophobicContact CG-CD1 4.35Å; R125-V295 WeakPolarHBondContact CA-O 3.38Å; R125-F296 HydrophobicContact CB-CD1 4.37Å; R125-F296 VanDerWaalsContact CD-CE1 3.46Å; R125-F296 HydrophobicContact CG-CD1 3.93Å; R125-F296 HydrophobicContact CG-CE1 3.79Å
126	L	98.1	Very high	96.5	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.8	177.1	175.3	64.8	0	0	0	109.8	V118 R119 Q120 L128 Y158 V160 I171 F294 V295	V118-L126 HydrophobicContact CG1-CD1 3.53Å; R119-L126 WeakPolarHBondContact O-CD1 3.46Å; Q120-L126 HydrophobicContact CG-CD1 4.46Å; L126-L128 HydrophobicContact CD1-CD2 4.46Å; L126-L128 HydrophobicContact CD2-CD2 3.96Å; L126-L128 HydrophobicContact CG-CD2 4.02Å; L126-L128 HydrophobicContact CG-CG 4.5Å; L126-Y158 HydrophobicContact CB-CD2 4.12Å; L126-Y158 HydrophobicContact CB-CE1 4.26Å; L126-Y158 HydrophobicContact CB-CE2 3.79Å; L126-Y158 HydrophobicContact CB-CG 4.49Å; L126-Y158 HydrophobicContact CD1-CD2 4.28Å; L126-Y158 HydrophobicContact CD1-CE2 3.64Å; L126-Y158 HydrophobicContact CD2-CD2 4.06Å; L126-Y158 HydrophobicContact CD2-CE2 4.25Å; L126-Y158 HydrophobicContact CG-CD2 4.38Å; L126-Y158 HydrophobicContact CG-CE2 4.09Å; L126-V160 HydrophobicContact CD1-CG2 4.24Å; L126-V160 HydrophobicContact CD2-CG2 3.38Å; L126-V160 HydrophobicContact CG-CG2 4.44Å; L126-I171 HydrophobicContact CD2-CD1 4.11Å; L126-I171 HydrophobicContact CD2-CG1 4.39Å; L126-I171 HydrophobicContact CD2-CG2 4.08Å; L126-F294 CarbonylContact O-C 3.53Å; L126-F294 WeakPolarHBondContact O-CA 3.25Å; L126-V295 HydrophobicContact CB-CB 4.38Å; L126-V295 PolarHBondContact N-O 3.3Å; L126-V295 PolarHBondContact O-N 3.29Å
127	R	98.2	Very high	96.2	Very high	19 Å²	19	40.4 Å²	40.4	7%	0.072	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.3	173.5	-167.1	179.5	-180	172	-13.9	111	R119 E121 R129 D292 F293 F294	R119-R127 HydrophobicContact CB-CB 4.39Å; R119-R127 PolarHBondContact N-O 3.32Å; R119-R127 VanDerWaalsContact NH2-CD 3.28Å; R119-R127 PolarHBondContact O-N 2.84Å; E121-R127 HydrophobicContact CG-CB 4.06Å; E121-R127 VanDerWaalsContact OE1-CD 3.25Å; E121-R127 WeakPolarHBondContact OE1-CD 3.35Å; E121-R127 IonicContact OE1-NH1 3.75Å; R127-R129 HydrophobicContact CG-CG 4.09Å; R127-D292 WeakPolarHBondContact CG-OD1 3.27Å; R127-D292 IonicContact CZ-OD1 2.66Å; R127-D292 IonicContact CZ-OD2 2.8Å; R127-D292 VanDerWaalsContact CZ-OD2 3.3Å; R127-D292 IonicContact NE-OD1 3.34Å; R127-D292 PolarHBondContact NE-OD1 2.71Å; R127-D292 IonicContact NE-OD2 2.72Å; R127-D292 PolarHBondContact NE-OD2 3.1Å; R127-D292 IonicContact NH2-OD1 3.93Å; R127-D292 IonicContact NH2-OD2 3.73Å; R127-D292 PolarHBondContact NH2-OD2 2.8Å; R127-F293 CarbonylContact C-O 3.56Å; R127-F293 VanDerWaalsContact CA-O 3.28Å; R127-F293 WeakPolarHBondContact CA-O 3.18Å; R127-F294 HydrophobicContact CB-CD1 4.13Å; R127-F294 HydrophobicContact CB-CE1 4.17Å; R127-F294 VanDerWaalsContact CD-CE1 3.47Å; R127-F294 VanDerWaalsContact CD-CZ 3.47Å; R127-F294 HydrophobicContact CG-CD1 4.02Å; R127-F294 HydrophobicContact CG-CE1 3.79Å; R127-F294 HydrophobicContact CG-CE2 4.31Å; R127-F294 HydrophobicContact CG-CG 4.41Å; R127-F294 HydrophobicContact CG-CZ 3.94Å; R127-F294 VanDerWaalsContact NE-CZ 3.3Å
128	L	98.4	Very high	96.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	117.6	-178.7	-56.1	-178.6	0	0	0	109.1	F116 E117 V118 L126 L169 I171 F293 V295	F116-L128 HydrophobicContact CE2-CB 4.09Å; F116-L128 HydrophobicContact CE2-CD2 4.29Å; F116-L128 HydrophobicContact CZ-CD2 4.01Å; E117-L128 WeakPolarHBondContact O-CA 3.47Å; V118-L128 HydrophobicContact CB-CD2 4.4Å; V118-L128 HydrophobicContact CG1-CD2 4.15Å; V118-L128 HydrophobicContact CG2-CD2 3.82Å; L126-L128 HydrophobicContact CD1-CD2 4.46Å; L126-L128 HydrophobicContact CD2-CD2 3.96Å; L126-L128 HydrophobicContact CG-CD2 4.02Å; L126-L128 HydrophobicContact CG-CG 4.5Å; L128-L169 HydrophobicContact CD1-CD1 3.85Å; L128-L169 HydrophobicContact CD2-CD1 4.49Å; L128-I171 HydrophobicContact CD1-CD1 3.7Å; L128-F293 HydrophobicContact CB-CB 4.29Å; L128-F293 PolarHBondContact N-O 2.66Å; L128-F293 PolarHBondContact O-N 2.99Å; L128-V295 HydrophobicContact CD1-CG2 4.3Å
129	R	98	Very high	96.1	Very high	38 Å²	38	42.1 Å²	42.1	14%	0.143	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130.1	-176.1	-61	172.5	76.8	-142.7	4.7	111.6	F116 E117 R127 E140 L291 D292	F116-R129 CarbonylContact C-O 3.5Å; F116-R129 VanDerWaalsContact CA-O 3.28Å; F116-R129 WeakPolarHBondContact CA-O 3.3Å; E117-R129 HydrophobicContact CB-CB 4.25Å; E117-R129 PolarHBondContact N-O 2.91Å; E117-R129 PolarHBondContact O-N 2.83Å; E117-R129 WeakPolarHBondContact OE2-CD 3.22Å; E117-R129 IonicContact OE2-CZ 2.87Å; E117-R129 IonicContact OE2-NH1 3.72Å; E117-R129 PolarHBondContact OE2-NH1 3.41Å; R127-R129 HydrophobicContact CG-CG 4.09Å; R129-E140 IonicContact CZ-OE2 2.84Å; R129-E140 IonicContact NE-OE2 3.56Å; R129-E140 IonicContact NH2-OE1 3.22Å; R129-E140 PolarHBondContact NH2-OE1 3.5Å; R129-E140 IonicContact NH2-OE2 3.69Å; R129-E140 PolarHBondContact NH2-OE2 3.36Å; R129-L291 CarbonylContact C-O 3.52Å; R129-L291 WeakPolarHBondContact CA-O 3.08Å; R129-D292 HydrophobicContact CG-CB 4.41Å; R129-D292 VanDerWaalsContact CG-OD1 3.25Å; R129-D292 WeakPolarHBondContact CG-OD1 3.23Å
130	F	98.1	Very high	96.1	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.022	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	115.4	168.8	-56.7	-104.5	0	0	0	109.2	L99 I114 S115 F116 F167 L169 L192 I201 I290 L291	L99-F130 HydrophobicContact CD1-CD1 4.49Å; L99-F130 HydrophobicContact CD1-CE1 4.32Å; I114-F130 HydrophobicContact CD1-CD1 4.16Å; S115-F130 CarbonylContact O-C 3.6Å; S115-F130 WeakPolarHBondContact O-CA 3.35Å; F116-F130 HydrophobicContact CB-CD1 4.16Å; F116-F130 HydrophobicContact CB-CE1 4.15Å; F116-F130 AromaticContact CD2-CD1 3.81Å; F116-F130 HydrophobicContact CD2-CD1 3.81Å; F116-F130 HydrophobicContact CD2-CD2 4.01Å; F116-F130 AromaticContact CD2-CE1 3.45Å; F116-F130 HydrophobicContact CD2-CE1 3.45Å; F116-F130 VanDerWaalsContact CD2-CE1 3.45Å; F116-F130 AromaticContact CD2-CE2 3.66Å; F116-F130 HydrophobicContact CD2-CE2 3.66Å; F116-F130 HydrophobicContact CD2-CG 4.08Å; F116-F130 AromaticContact CD2-CZ 3.36Å; F116-F130 HydrophobicContact CD2-CZ 3.36Å; F116-F130 HydrophobicContact CE2-CD2 4.33Å; F116-F130 HydrophobicContact CE2-CE1 4.03Å; F116-F130 AromaticContact CE2-CE2 3.62Å; F116-F130 HydrophobicContact CE2-CE2 3.62Å; F116-F130 AromaticContact CE2-CZ 3.45Å; F116-F130 HydrophobicContact CE2-CZ 3.45Å; F116-F130 VanDerWaalsContact CE2-CZ 3.45Å; F116-F130 HydrophobicContact CG-CD1 4.33Å; F116-F130 AromaticContact CG-CE1 3.95Å; F116-F130 HydrophobicContact CG-CE1 3.95Å; F116-F130 HydrophobicContact CG-CZ 4.22Å; F116-F130 HydrophobicContact CZ-CZ 4.35Å; F130-F167 AromaticContact CE1-CE1 3.67Å; F130-F167 HydrophobicContact CE1-CE1 3.67Å; F130-F167 HydrophobicContact CE1-CZ 4.09Å; F130-F167 HydrophobicContact CZ-CE1 4.1Å; F130-F167 HydrophobicContact CZ-CZ 4.36Å; F130-L169 HydrophobicContact CZ-CD2 4.28Å; F130-L192 HydrophobicContact CD1-CD1 4.34Å; F130-L192 HydrophobicContact CD1-CD2 4.44Å; F130-L192 HydrophobicContact CE1-CD1 4.3Å; F130-L192 HydrophobicContact CE1-CD2 4.01Å; F130-I201 HydrophobicContact CE2-CD1 3.88Å; F130-I201 HydrophobicContact CZ-CD1 3.71Å; F130-I290 WeakPolarHBondContact O-CB 3.43Å; F130-L291 HydrophobicContact CB-CB 3.99Å; F130-L291 HydrophobicContact CB-CD1 4.45Å; F130-L291 HydrophobicContact CD2-CB 3.81Å; F130-L291 HydrophobicContact CD2-CD1 4.22Å; F130-L291 HydrophobicContact CG-CB 4.25Å; F130-L291 HydrophobicContact CG-CD1 4.36Å; F130-L291 PolarHBondContact N-O 2.78Å; F130-L291 PolarHBondContact O-N 2.94Å
131	T	97.6	Very high	96	Very high	37 Å²	37	40.4 Å²	40.4	23%	0.227	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	164.7	-176.9	56.4	0	0	0	0	110.5	I114 S115 I290	I114-T131 WeakPolarHBondContact CA-O 3.48Å; I114-T131 WeakPolarHBondContact CB-O 3.32Å; S115-T131 PolarHBondContact N-O 3.16Å; S115-T131 PolarHBondContact O-N 2.95Å; S115-T131 PolarHBondContact O-OG1 2.83Å; T131-I290 HydrophobicContact CG2-CD1 4.06Å
132	I	96.6	Very high	95.7	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.026	25%	0.252	C	S	.	.			trans	-110	106.2	176.7	-60	171.7	0	0	0	107.1	I111 I114 S134 Q135 I194	I111-I132 HydrophobicContact CB-CD1 4.44Å; I111-I132 HydrophobicContact CD1-CD1 4.21Å; I111-I132 HydrophobicContact CG1-CD1 3.74Å; I111-I132 HydrophobicContact CG1-CG1 4.5Å; I111-I132 HydrophobicContact CG2-CD1 4.29Å; I111-I132 HydrophobicContact CG2-CG1 4.16Å; I111-I132 HydrophobicContact CG2-CG2 3.89Å; I114-I132 HydrophobicContact CG2-CG1 4.38Å; I132-S134 WeakPolarHBondContact CG2-OG 3.43Å; I132-S134 PolarHBondContact O-N 2.79Å; I132-Q135 HydrophobicContact CB-CB 4.12Å; I132-Q135 HydrophobicContact CB-CG 4.49Å; I132-Q135 HydrophobicContact CG2-CB 4Å; I132-Q135 HydrophobicContact CG2-CG 3.9Å; I132-Q135 CarbonylContact O-C 3.5Å; I132-Q135 WeakPolarHBondContact O-CA 3.28Å; I132-Q135 PolarHBondContact O-N 2.83Å; I132-I194 HydrophobicContact CD1-CG2 3.86Å; I132-I194 HydrophobicContact CG1-CG2 4.07Å
133	P	93.1	Very high	95.4	Very high	58 Å²	58	46 Å²	46	38%	0.377	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.5	-175.2	-30.7	37.5	0	0	0	114.6	Q135	P133-Q135 VanDerWaalsContact C-N 3.27Å; P133-Q135 PolarHBondContact O-N 3.43Å
134	S	93.1	Very high	95.3	Very high	102 Å²	102	48.4 Å²	48.4	71%	0.713	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-2.5	176.5	62.9	0	0	0	0	114.2	I132	I132-S134 WeakPolarHBondContact CG2-OG 3.43Å; I132-S134 PolarHBondContact O-N 2.79Å
135	Q	93.3	Very high	95.2	Very high	63 Å²	63	50.3 Å²	50.3	29%	0.294	28%	0.279	S	S	.	.			trans	-137.1	71.5	-177.5	-60.1	-179.2	-2	0	0	109.8	I132 P133 N137 R138	I132-Q135 HydrophobicContact CB-CB 4.12Å; I132-Q135 HydrophobicContact CB-CG 4.49Å; I132-Q135 HydrophobicContact CG2-CB 4Å; I132-Q135 HydrophobicContact CG2-CG 3.9Å; I132-Q135 CarbonylContact O-C 3.5Å; I132-Q135 WeakPolarHBondContact O-CA 3.28Å; I132-Q135 PolarHBondContact O-N 2.83Å; P133-Q135 VanDerWaalsContact C-N 3.27Å; P133-Q135 PolarHBondContact O-N 3.43Å; Q135-N137 PolarHBondContact O-N 3.23Å; Q135-R138 HydrophobicContact CB-CG 3.94Å; Q135-R138 WeakPolarHBondContact O-CG 3.45Å
136	L	89.3	Confident	95	Very high	145 Å²	145	51 Å²	51	76%	0.759	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.2	-174.7	-61.7	176.4	0	0	0	114.1
137	N	91.7	Very high	94.7	Very high	163 Å²	163	62.1 Å²	62.1	87%	0.872	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	30.4	-174.4	-58.3	-20.5	0	0	0	112.6	Q135	Q135-N137 PolarHBondContact O-N 3.23Å
138	R	95.9	Very high	94.4	Very high	31 Å²	31	64.6 Å²	64.6	12%	0.117	34%	0.344	C	S	.	.			trans	-65.3	150.7	172.2	-72.7	-173.3	72	76.8	7.1	109.7	Q135 E140 N196 G289 I290	Q135-R138 HydrophobicContact CB-CG 3.94Å; Q135-R138 WeakPolarHBondContact O-CG 3.45Å; R138-E140 PolarHBondContact O-N 2.6Å; R138-N196 PolarHBondContact NH1-OD1 2.91Å; R138-N196 PolarHBondContact NH2-O 3.14Å; R138-G289 VanDerWaalsContact CZ-O 3.23Å; R138-G289 PolarHBondContact NE-O 3.32Å; R138-G289 PolarHBondContact NH2-O 2.69Å; R138-I290 HydrophobicContact CB-CG2 3.84Å
139	W	97	Very high	94.2	Very high	44 Å²	44	68 Å²	68	17%	0.167	36%	0.36	C	S	.	.			trans	-61.9	130.2	-178.5	177.1	-108.5	0	0	0	111.7	S269 G289 T523 N527 M528 I531	W139-S269 PolarHBondContact NE1-OG 2.72Å; W139-G289 WeakPolarHBondContact O-CA 3.17Å; W139-T523 HydrophobicContact CE3-CG2 3.97Å; W139-T523 HydrophobicContact CH2-CG2 3.73Å; W139-T523 HydrophobicContact CZ2-CG2 4.45Å; W139-T523 HydrophobicContact CZ3-CG2 3.45Å; W139-T523 VanDerWaalsContact CZ3-CG2 3.45Å; W139-N527 HydrophobicContact CB-CB 4.33Å; W139-N527 HydrophobicContact CD2-CB 3.63Å; W139-N527 HydrophobicContact CE3-CB 4.27Å; W139-N527 HydrophobicContact CG-CB 3.61Å; W139-N527 HydrophobicContact CZ2-CB 4.4Å; W139-N527 PolarHBondContact NE1-O 3.34Å; W139-M528 HydrophobicContact CH2-CG 4.49Å; W139-M528 HydrophobicContact CH2-SD 3.29Å; W139-M528 WeakPolarHBondContact CH2-SD 3.43Å; W139-M528 HydrophobicContact CZ2-SD 3.55Å; W139-M528 VanDerWaalsContact CZ2-SD 3.55Å; W139-M528 HydrophobicContact CZ3-SD 4.29Å; W139-I531 HydrophobicContact CZ2-CD1 3.99Å
140	E	96.6	Very high	93.9	Very high	63 Å²	63	73 Å²	73	29%	0.294	39%	0.39	S	S	.	.			trans	-132.8	124.2	169.8	-65.7	-170.4	-130.4	0	0	107.4	R129 R138 S142 I290	R129-E140 IonicContact CZ-OE2 2.84Å; R129-E140 IonicContact NE-OE2 3.56Å; R129-E140 IonicContact NH2-OE1 3.22Å; R129-E140 PolarHBondContact NH2-OE1 3.5Å; R129-E140 IonicContact NH2-OE2 3.69Å; R129-E140 PolarHBondContact NH2-OE2 3.36Å; R138-E140 PolarHBondContact O-N 2.6Å; E140-S142 PolarHBondContact O-N 2.04Å; E140-I290 VanDerWaalsContact CD-CD1 3.41Å; E140-I290 HydrophobicContact CG-CD1 3.73Å; E140-I290 HydrophobicContact CG-CG1 3.95Å; E140-I290 WeakPolarHBondContact OE2-CD1 3.3Å
141	P	95	Very high	93.4	Very high	13 Å²	13	75.3 Å²	75.3	8%	0.084	40%	0.404	C	S	.	.			trans	-59	127.7	178.3	-21.5	31.6	0	0	0	111.3	L143 L267	P141-L143 HydrophobicContact CB-CG 4.49Å; P141-L143 PolarHBondContact O-N 2.87Å; P141-L143 VanDerWaalsContact O-N 3.09Å; P141-L267 HydrophobicContact CB-CD1 4.25Å; P141-L267 HydrophobicContact CG-CD1 4.34Å
142	S	89.9	Confident	92.9	Very high	109 Å²	109	79.5 Å²	79.5	76%	0.762	43%	0.432	S	S	*	.			trans	-85.1	79.4	-179	-65.5	0	0	0	0	111.1	E140	E140-S142 PolarHBondContact O-N 2.04Å
143	L	92.6	Very high	92.7	Very high	23 Å²	23	80.2 Å²	80.2	12%	0.12	44%	0.436	C	S	.	.			trans	-100.6	145.8	174.3	-58.6	-175.3	0	0	0	111.5	P141 L145 L267 Y534 F561 A562	P141-L143 HydrophobicContact CB-CG 4.49Å; P141-L143 PolarHBondContact O-N 2.87Å; P141-L143 VanDerWaalsContact O-N 3.09Å; L143-L145 HydrophobicContact CB-CD2 4.2Å; L143-L145 PolarHBondContact O-N 3.49Å; L143-L267 HydrophobicContact CD1-CD1 3.66Å; L143-L267 HydrophobicContact CG-CD1 4.34Å; L143-Y534 HydrophobicContact CD2-CD1 4.15Å; L143-Y534 HydrophobicContact CD2-CD2 4.49Å; L143-Y534 HydrophobicContact CD2-CE1 3.58Å; L143-Y534 HydrophobicContact CD2-CE2 3.97Å; L143-Y534 VanDerWaalsContact CD2-CZ 3.48Å; L143-F561 HydrophobicContact CD1-CD1 3.99Å; L143-F561 HydrophobicContact CD1-CE1 3.86Å; L143-A562 HydrophobicContact CD1-CB 4.48Å
144	P	93.5	Very high	92.6	Very high	73 Å²	73	80.7 Å²	80.7	47%	0.474	45%	0.445	S	S	.	.			trans	-70	98.8	168.8	29.8	-31.9	0	0	0	109.3	Y534	P144-Y534 VanDerWaalsContact CD-OH 3.26Å; P144-Y534 WeakPolarHBondContact CD-OH 3.49Å
145	L	95.8	Very high	92.5	Very high	57 Å²	57	82.7 Å²	82.7	30%	0.298	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-87.5	147.1	178.9	-59.6	177	0	0	0	111.5	L143 L267 F294 L311	L143-L145 HydrophobicContact CB-CD2 4.2Å; L143-L145 PolarHBondContact O-N 3.49Å; L145-L267 HydrophobicContact CD1-CD2 3.92Å; L145-L267 HydrophobicContact CD2-CD2 4.24Å; L145-F294 HydrophobicContact CD1-CZ 3.8Å; L145-L311 CarbonylContact C-O 3.54Å; L145-L311 WeakPolarHBondContact CA-O 3.43Å; L145-L311 HydrophobicContact CB-CD1 4.08Å; L145-L311 HydrophobicContact CD2-CD1 4.11Å; L145-L311 HydrophobicContact CD2-CG 4.25Å
146	G	92.9	Very high	92.6	Very high	21 Å²	21	80.9 Å²	80.9	22%	0.216	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-56	156	179.4	0	0	0	0	0	114.7	D310 L311	G146-D310 VanDerWaalsContact CA-O 3.31Å; G146-D310 WeakPolarHBondContact CA-O 3.4Å; G146-L311 PolarHBondContact N-O 3.36Å
147	R	91.3	Very high	92.9	Very high	235 Å²	235	77.9 Å²	77.9	89%	0.887	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-65.8	151	-176.5	-63.9	-176.5	-178.6	179.8	1.4	112	R125	R125-R147 PolarHBondContact NH2-O 3.26Å
148	L	93.7	Very high	93.2	Very high	72 Å²	72	70.1 Å²	70.1	38%	0.377	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-83.5	148.2	170.3	-50.8	179.3	0	0	0	109.3	E121	E121-L148 HydrophobicContact CB-CD2 3.62Å; E121-L148 HydrophobicContact CG-CD2 3.58Å
149	E	93.5	Very high	93.2	Very high	71 Å²	71	71.4 Å²	71.4	33%	0.332	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-72.5	154.4	167.5	-75.6	176.1	-174.6	0	0	110.6	R93 E121 T122 S123 I153	R93-E149 PolarHBondContact NH1-O 3.12Å; R93-E149 PolarHBondContact NH2-O 2.97Å; E121-E149 PolarHBondContact O-N 2.69Å; T122-E149 WeakPolarHBondContact CA-OE2 3.41Å; T122-E149 WeakPolarHBondContact CB-OE1 3.34Å; T122-E149 HydrophobicContact CG2-CG 4.02Å; S123-E149 PolarHBondContact N-OE2 2.82Å; S123-E149 PolarHBondContact OG-OE1 2.73Å; E149-I153 HydrophobicContact CB-CG1 4.26Å; E149-I153 VanDerWaalsContact OE2-CG2 3.28Å; E149-I153 WeakPolarHBondContact OE2-CG2 3.5Å
150	D	91.5	Very high	93.2	Very high	144 Å²	144	71.5 Å²	71.5	77%	0.77	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-63.3	151.6	176.8	-67.4	-35	0	0	0	112.1	P152 I153	D150-P152 CarbonylContact O-C 3.53Å; D150-I153 PolarHBondContact O-N 2.81Å
151	T	87.4	Confident	93.1	Very high	52 Å²	52	71.1 Å²	71.1	32%	0.319	40%	0.4	S	S	.	.	S	Bend	trans	-93.7	138.9	178.6	37.4	0	0	0	0	111.3	E92 R93	E92-T151 HydrophobicContact CG-CG2 4.13Å; E92-T151 WeakPolarHBondContact OE1-CB 3.31Å; E92-T151 PolarHBondContact OE1-OG1 3.02Å; R93-T151 HydrophobicContact CG-CG2 3.6Å; R93-T151 VanDerWaalsContact CZ-CG2 3.48Å
152	P	87.5	Confident	93.2	Very high	125 Å²	125	73.1 Å²	73.1	81%	0.812	41%	0.409	S	S	*	.	S	Bend	cis	-72.5	144.7	-7.3	31.9	-34.9	0	0	0	112	D150 A154	D150-P152 CarbonylContact O-C 3.53Å; P152-A154 PolarHBondContact O-N 2.8Å
153	I	92.4	Very high	93.5	Very high	21 Å²	21	71.5 Å²	71.5	11%	0.108	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-68.7	121	178.1	-66.6	168.4	0	0	0	109.5	Q120 E149 D150 V156	Q120-I153 HydrophobicContact CB-CD1 3.71Å; Q120-I153 VanDerWaalsContact O-CD1 3.29Å; Q120-I153 WeakPolarHBondContact O-CD1 3.17Å; E149-I153 HydrophobicContact CB-CG1 4.26Å; E149-I153 VanDerWaalsContact OE2-CG2 3.28Å; E149-I153 WeakPolarHBondContact OE2-CG2 3.5Å; D150-I153 PolarHBondContact O-N 2.81Å; I153-V156 HydrophobicContact CB-CG2 3.9Å; I153-V156 HydrophobicContact CG2-CG2 3.57Å
154	A	90	Very high	93.5	Very high	68 Å²	68	74 Å²	74	56%	0.562	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	142.3	176.9	0	0	0	0	0	111.1	S123 P152 V156	S123-A154 WeakPolarHBondContact CB-O 3.43Å; P152-A154 PolarHBondContact O-N 2.8Å; A154-V156 PolarHBondContact O-N 2.79Å
155	N	92.5	Very high	93.5	Very high	143 Å²	143	74 Å²	74	77%	0.765	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	42.8	170.6	-58.4	-31.2	0	0	0	115.4	Q157	N155-Q157 VanDerWaalsContact O-CG 3.32Å; N155-Q157 WeakPolarHBondContact O-CG 3.46Å; N155-Q157 PolarHBondContact O-N 2.8Å; N155-Q157 VanDerWaalsContact O-N 3.13Å
156	V	95.2	Very high	93.5	Very high	25 Å²	25	73.4 Å²	73.4	15%	0.152	41%	0.41	C	S	.	.			trans	-52.8	119.3	175	-176.7	0	0	0	0	110.7	I153 A154 Y158 N174	I153-V156 HydrophobicContact CB-CG2 3.9Å; I153-V156 HydrophobicContact CG2-CG2 3.57Å; A154-V156 PolarHBondContact O-N 2.79Å; V156-Y158 HydrophobicContact CG1-CD1 3.98Å; V156-Y158 HydrophobicContact CG1-CD2 3.86Å; V156-Y158 HydrophobicContact CG1-CE1 3.76Å; V156-Y158 HydrophobicContact CG1-CE2 3.63Å; V156-Y158 HydrophobicContact CG1-CG 4.02Å; V156-Y158 WeakPolarHBondContact CG1-O 3.33Å; V156-N174 WeakPolarHBondContact O-CB 3.5Å; V156-N174 PolarHBondContact O-ND2 2.7Å
157	Q	95.8	Very high	93.7	Very high	82 Å²	82	72.6 Å²	72.6	38%	0.383	40%	0.4	S	S	.	.			trans	-92.8	9.5	-173.3	-57.2	-168.2	16	0	0	113.7	S123 T124 N155 R173 N174	S123-Q157 WeakPolarHBondContact O-CB 3.08Å; S123-Q157 PolarHBondContact O-N 3.2Å; T124-Q157 HydrophobicContact CG2-CB 4.42Å; T124-Q157 HydrophobicContact CG2-CG 4.14Å; N155-Q157 VanDerWaalsContact O-CG 3.32Å; N155-Q157 WeakPolarHBondContact O-CG 3.46Å; N155-Q157 PolarHBondContact O-N 2.8Å; N155-Q157 VanDerWaalsContact O-N 3.13Å; Q157-R173 CarbonylContact O-C 3.49Å; Q157-R173 WeakPolarHBondContact O-CA 3.34Å; Q157-N174 VanDerWaalsContact C-CB 3.43Å; Q157-N174 PolarHBondContact O-N 2.67Å
158	Y	96.8	Very high	94	Very high	1 Å²	1	61.5 Å²	61.5	0%	0.004	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	154.8	175.7	50.4	-90	0	0	0	112.2	Q120 T122 R125 L126 V156 V160 M172 T297	Q120-Y158 VanDerWaalsContact CA-OH 3.28Å; Q120-Y158 WeakPolarHBondContact CA-OH 3.37Å; Q120-Y158 VanDerWaalsContact CB-OH 3.31Å; Q120-Y158 WeakPolarHBondContact CB-OH 3.2Å; Q120-Y158 HydrophobicContact CG-CE2 3.99Å; T122-Y158 WeakPolarHBondContact O-CE1 3.22Å; T122-Y158 PolarHBondContact O-OH 3.36Å; R125-Y158 PolarHBondContact O-OH 2.87Å; L126-Y158 HydrophobicContact CB-CD2 4.12Å; L126-Y158 HydrophobicContact CB-CE1 4.26Å; L126-Y158 HydrophobicContact CB-CE2 3.79Å; L126-Y158 HydrophobicContact CB-CG 4.49Å; L126-Y158 HydrophobicContact CD1-CD2 4.28Å; L126-Y158 HydrophobicContact CD1-CE2 3.64Å; L126-Y158 HydrophobicContact CD2-CD2 4.06Å; L126-Y158 HydrophobicContact CD2-CE2 4.25Å; L126-Y158 HydrophobicContact CG-CD2 4.38Å; L126-Y158 HydrophobicContact CG-CE2 4.09Å; V156-Y158 HydrophobicContact CG1-CD1 3.98Å; V156-Y158 HydrophobicContact CG1-CD2 3.86Å; V156-Y158 HydrophobicContact CG1-CE1 3.76Å; V156-Y158 HydrophobicContact CG1-CE2 3.63Å; V156-Y158 HydrophobicContact CG1-CG 4.02Å; V156-Y158 WeakPolarHBondContact CG1-O 3.33Å; Y158-V160 HydrophobicContact CD2-CG2 4.45Å; Y158-M172 CarbonylContact C-O 3.52Å; Y158-M172 WeakPolarHBondContact CA-O 3.22Å; Y158-T297 HydrophobicContact CD1-CG2 3.76Å; Y158-T297 HydrophobicContact CG-CG2 4.16Å
159	N	96.2	Very high	94.1	Very high	58 Å²	58	58.1 Å²	58.1	31%	0.31	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	144.2	169	-81.6	-20	0	0	0	109.2	I171 M172 N174 Q178	N159-I171 WeakPolarHBondContact O-CA 3.47Å; N159-M172 HydrophobicContact CB-CE 3.66Å; N159-M172 PolarHBondContact N-O 3.49Å; N159-M172 PolarHBondContact O-N 2.65Å; N159-N174 PolarHBondContact ND2-OD1 3.36Å; N159-Q178 PolarHBondContact ND2-NE2 2.87Å; N159-Q178 PolarHBondContact ND2-OE1 2.64Å
160	V	96.5	Very high	94.3	Very high	45 Å²	45	57.5 Å²	57.5	27%	0.273	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123	177.3	-173.8	0	0	0	0	108.7	V118 L126 Y158 M162 L169 K170	V118-V160 HydrophobicContact CG1-CB 4.49Å; V118-V160 HydrophobicContact CG1-CG1 4.41Å; V118-V160 HydrophobicContact CG1-CG2 4.07Å; V118-V160 HydrophobicContact CG2-CG1 4.46Å; L126-V160 HydrophobicContact CD1-CG2 4.24Å; L126-V160 HydrophobicContact CD2-CG2 3.38Å; L126-V160 HydrophobicContact CG-CG2 4.44Å; Y158-V160 HydrophobicContact CD2-CG2 4.45Å; V160-M162 HydrophobicContact CG1-CE 4.04Å; V160-M162 HydrophobicContact CG1-CG 4.45Å; V160-L169 HydrophobicContact CG1-CD1 4.47Å; V160-K170 WeakPolarHBondContact CA-O 3.49Å
161	S	95.8	Very high	94.6	Very high	56 Å²	56	50.6 Å²	50.6	39%	0.392	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.7	172.6	-179.6	0	0	0	0	109.4	L169 K170	S161-L169 CarbonylContact O-C 3.59Å; S161-L169 WeakPolarHBondContact O-CA 2.83Å; S161-K170 PolarHBondContact N-O 2.71Å; S161-K170 PolarHBondContact O-N 3.41Å
162	M	96	Very high	95.1	Very high	54 Å²	54	49.3 Å²	49.3	27%	0.266	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.6	178.7	-57.7	178.5	-158.1	0	0	110.5	I85 V97 F116 V118 V160 G168 L169	I85-M162 HydrophobicContact CD1-CB 4.42Å; V97-M162 HydrophobicContact CG2-SD 3.92Å; F116-M162 HydrophobicContact CD1-CE 4.49Å; F116-M162 HydrophobicContact CD1-SD 4.27Å; F116-M162 HydrophobicContact CE1-CE 3.78Å; F116-M162 HydrophobicContact CE1-SD 3.87Å; V118-M162 HydrophobicContact CB-CE 4.04Å; V118-M162 HydrophobicContact CG2-CE 3.27Å; V160-M162 HydrophobicContact CG1-CE 4.04Å; V160-M162 HydrophobicContact CG1-CG 4.45Å; M162-G168 CarbonylContact C-O 3.58Å; M162-G168 WeakPolarHBondContact CA-O 3.2Å; M162-L169 HydrophobicContact CG-CB 4.35Å
163	E	96.1	Very high	95.5	Very high	76 Å²	76	44.2 Å²	44.2	36%	0.355	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	142.8	166.8	-66.6	-179.2	-170.8	0	0	108.9	P166 F167 G168 K170 T185	E163-P166 CarbonylContact C-O 3.59Å; E163-F167 WeakPolarHBondContact O-CA 3.24Å; E163-G168 PolarHBondContact N-O 3.49Å; E163-G168 PolarHBondContact O-N 2.97Å; E163-K170 IonicContact OE1-NZ 3.29Å; E163-T185 HydrophobicContact CG-CG2 4Å
164	S	94.2	Very high	95.6	Very high	76 Å²	76	46.8 Å²	46.8	53%	0.531	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-37.2	-171.8	54.3	0	0	0	0	114.1	Q84 I85	Q84-S164 CarbonylContact C-O 3.59Å; Q84-S164 VanDerWaalsContact CA-O 3.32Å; Q84-S164 WeakPolarHBondContact CA-O 3.26Å; I85-S164 PolarHBondContact N-O 2.79Å
165	S	92.7	Very high	95.6	Very high	72 Å²	72	46.6 Å²	46.6	50%	0.503	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.3	101.1	-177.2	174.2	0	0	0	0	111	Q84	Q84-S165 VanDerWaalsContact CD-OG 3.25Å; Q84-S165 PolarHBondContact NE2-OG 2.78Å
166	P	94.8	Very high	95.4	Very high	44 Å²	44	49.5 Å²	49.5	29%	0.286	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	cis	-68.9	154.1	0.3	32.5	-38.1	0	0	0	112.6	T82 E163 G168 T189	T82-P166 HydrophobicContact CG2-CB 4.31Å; T82-P166 WeakPolarHBondContact OG1-CB 3.42Å; E163-P166 CarbonylContact C-O 3.59Å; P166-G168 PolarHBondContact O-N 3.07Å; P166-T189 HydrophobicContact CB-CG2 3.96Å; P166-T189 HydrophobicContact CG-CG2 3.9Å
167	F	97.4	Very high	95.2	Very high	5 Å²	5	56.8 Å²	56.8	2%	0.022	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	127.1	171.2	169.5	-96.1	0	0	0	110.4	Y83 I85 L99 F116 F130 E163 L169 T189 L192	Y83-F167 WeakPolarHBondContact O-CB 3.27Å; Y83-F167 PolarHBondContact O-N 2.8Å; I85-F167 HydrophobicContact CD1-CD2 3.96Å; I85-F167 HydrophobicContact CD1-CE2 4.49Å; I85-F167 HydrophobicContact CG1-CB 4.49Å; I85-F167 HydrophobicContact CG1-CD2 3.75Å; L99-F167 HydrophobicContact CD1-CD1 3.62Å; L99-F167 HydrophobicContact CD1-CD2 4.17Å; L99-F167 HydrophobicContact CD1-CE1 3.7Å; L99-F167 HydrophobicContact CD1-CE2 4.2Å; L99-F167 HydrophobicContact CD1-CG 3.87Å; L99-F167 HydrophobicContact CD1-CZ 3.97Å; L99-F167 HydrophobicContact CD2-CB 3.96Å; L99-F167 HydrophobicContact CD2-CD1 4.25Å; L99-F167 HydrophobicContact CD2-CD2 3.49Å; L99-F167 VanDerWaalsContact CD2-CD2 3.49Å; L99-F167 HydrophobicContact CD2-CE2 4.02Å; L99-F167 HydrophobicContact CD2-CG 3.6Å; L99-F167 HydrophobicContact CG-CD2 4.49Å; L99-F167 HydrophobicContact CG-CG 4.4Å; F116-F167 HydrophobicContact CB-CZ 4.44Å; F116-F167 AromaticContact CD1-CE2 3.7Å; F116-F167 HydrophobicContact CD1-CE2 3.7Å; F116-F167 AromaticContact CD1-CZ 3.48Å; F116-F167 HydrophobicContact CD1-CZ 3.48Å; F116-F167 VanDerWaalsContact CD1-CZ 3.48Å; F116-F167 HydrophobicContact CD2-CZ 4.4Å; F116-F167 AromaticContact CE1-CE2 3.98Å; F116-F167 HydrophobicContact CE1-CE2 3.98Å; F116-F167 AromaticContact CE1-CZ 3.68Å; F116-F167 HydrophobicContact CE1-CZ 3.68Å; F116-F167 HydrophobicContact CG-CE2 4.41Å; F116-F167 AromaticContact CG-CZ 3.86Å; F116-F167 HydrophobicContact CG-CZ 3.86Å; F116-F167 HydrophobicContact CZ-CZ 4.22Å; F130-F167 AromaticContact CE1-CE1 3.67Å; F130-F167 HydrophobicContact CE1-CE1 3.67Å; F130-F167 HydrophobicContact CE1-CZ 4.09Å; F130-F167 HydrophobicContact CZ-CE1 4.1Å; F130-F167 HydrophobicContact CZ-CZ 4.36Å; E163-F167 WeakPolarHBondContact O-CA 3.24Å; F167-L169 HydrophobicContact CE1-CD2 4.35Å; F167-L169 HydrophobicContact CZ-CD2 4Å; F167-T189 WeakPolarHBondContact O-CG2 3.34Å; F167-L192 HydrophobicContact CD1-CD2 3.86Å; F167-L192 HydrophobicContact CE1-CD2 4.04Å
168	G	97.2	Very high	94.8	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	163.7	168.9	0	0	0	0	0	109.2	M162 E163 P166	M162-G168 CarbonylContact C-O 3.58Å; M162-G168 WeakPolarHBondContact CA-O 3.2Å; E163-G168 PolarHBondContact N-O 3.49Å; E163-G168 PolarHBondContact O-N 2.97Å; P166-G168 PolarHBondContact O-N 3.07Å
169	L	96.9	Very high	94.6	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	152.5	179.7	70.4	123.5	0	0	0	112.5	F116 L128 F130 V160 S161 M162 F167 I171 S184 F203	F116-L169 HydrophobicContact CE1-CD2 4.34Å; F116-L169 HydrophobicContact CE2-CD2 4.26Å; F116-L169 HydrophobicContact CZ-CD2 3.75Å; L128-L169 HydrophobicContact CD1-CD1 3.85Å; L128-L169 HydrophobicContact CD2-CD1 4.49Å; F130-L169 HydrophobicContact CZ-CD2 4.28Å; V160-L169 HydrophobicContact CG1-CD1 4.47Å; S161-L169 CarbonylContact O-C 3.59Å; S161-L169 WeakPolarHBondContact O-CA 2.83Å; M162-L169 HydrophobicContact CG-CB 4.35Å; F167-L169 HydrophobicContact CE1-CD2 4.35Å; F167-L169 HydrophobicContact CZ-CD2 4Å; L169-I171 HydrophobicContact CD1-CD1 4.02Å; L169-I171 HydrophobicContact CD1-CG1 3.72Å; L169-S184 PolarHBondContact N-OG 3.25Å; L169-S184 PolarHBondContact O-N 3.48Å; L169-S184 PolarHBondContact O-OG 3.06Å; L169-F203 HydrophobicContact CD2-CE1 4.45Å
170	K	97.7	Very high	94.6	Very high	58 Å²	58	56.8 Å²	56.8	25%	0.252	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136.3	170.4	-63.9	179	-175.6	174.5	0	108.8	V160 S161 E163 M172 L182 D183 T185	V160-K170 WeakPolarHBondContact CA-O 3.49Å; S161-K170 PolarHBondContact N-O 2.71Å; S161-K170 PolarHBondContact O-N 3.41Å; E163-K170 IonicContact OE1-NZ 3.29Å; K170-M172 HydrophobicContact CB-SD 3.85Å; K170-L182 WeakPolarHBondContact CA-O 3.46Å; K170-D183 WeakPolarHBondContact CE-OD1 3.49Å; K170-D183 VanDerWaalsContact CE-OD2 3.23Å; K170-D183 WeakPolarHBondContact CE-OD2 3.4Å; K170-D183 HydrophobicContact CG-CB 4.28Å; K170-D183 WeakPolarHBondContact CG-OD1 3.39Å; K170-D183 IonicContact NZ-OD2 3.84Å; K170-T185 HydrophobicContact CD-CG2 4.43Å; K170-T185 WeakPolarHBondContact CE-OG1 3.36Å; K170-T185 HydrophobicContact CG-CG2 3.94Å
171	I	97.8	Very high	94.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.8	172	-48.7	174.5	0	0	0	106.5	L126 L128 N159 L169 V180 I181 L182 V295	L126-I171 HydrophobicContact CD2-CD1 4.11Å; L126-I171 HydrophobicContact CD2-CG1 4.39Å; L126-I171 HydrophobicContact CD2-CG2 4.08Å; L128-I171 HydrophobicContact CD1-CD1 3.7Å; N159-I171 WeakPolarHBondContact O-CA 3.47Å; L169-I171 HydrophobicContact CD1-CD1 4.02Å; L169-I171 HydrophobicContact CD1-CG1 3.72Å; I171-V180 WeakPolarHBondContact O-CA 3.29Å; I171-I181 HydrophobicContact CB-CG1 4.13Å; I171-I181 HydrophobicContact CG2-CD1 4Å; I171-I181 HydrophobicContact CG2-CG1 4.06Å; I171-I181 VanDerWaalsContact O-CG1 3.27Å; I171-I181 WeakPolarHBondContact O-CG1 3.31Å; I171-I181 PolarHBondContact O-N 3.05Å; I171-L182 HydrophobicContact CB-CB 4.28Å; I171-L182 HydrophobicContact CD1-CB 4.11Å; I171-L182 HydrophobicContact CD1-CD1 3.88Å; I171-L182 HydrophobicContact CG1-CB 4.32Å; I171-L182 PolarHBondContact N-O 3.46Å; I171-L182 PolarHBondContact O-N 3.2Å; I171-V295 HydrophobicContact CD1-CB 4.32Å; I171-V295 HydrophobicContact CD1-CG1 4.22Å; I171-V295 HydrophobicContact CD1-CG2 3.72Å; I171-V295 HydrophobicContact CG2-CG1 4.4Å
172	M	97.3	Very high	94.7	Very high	25 Å²	25	52 Å²	52	12%	0.123	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	153.8	179.2	-51	92	53.9	0	0	110.6	Y158 N159 K170 Q178 D179 V180	Y158-M172 CarbonylContact C-O 3.52Å; Y158-M172 WeakPolarHBondContact CA-O 3.22Å; N159-M172 HydrophobicContact CB-CE 3.66Å; N159-M172 PolarHBondContact N-O 3.49Å; N159-M172 PolarHBondContact O-N 2.65Å; K170-M172 HydrophobicContact CB-SD 3.85Å; M172-Q178 WeakPolarHBondContact CG-O 3.21Å; M172-D179 CarbonylContact C-O 3.54Å; M172-D179 WeakPolarHBondContact CA-O 3.28Å; M172-V180 HydrophobicContact CG-CB 4.21Å; M172-V180 HydrophobicContact CG-CG2 3.6Å
173	R	95.9	Very high	94.8	Very high	17 Å²	17	50.9 Å²	50.9	6%	0.064	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	133.8	163.8	-63.9	175.3	-178.5	-74.2	-9.2	109.2	Q157 N175 Q178 D179 I181 A261 T297	Q157-R173 CarbonylContact O-C 3.49Å; Q157-R173 WeakPolarHBondContact O-CA 3.34Å; R173-N175 PolarHBondContact O-N 3.5Å; R173-Q178 WeakPolarHBondContact O-CA 3.36Å; R173-D179 PolarHBondContact N-O 3.42Å; R173-D179 IonicContact NE-OD2 3.57Å; R173-I181 HydrophobicContact CG-CG2 4.15Å; R173-A261 VanDerWaalsContact NH2-C 3.26Å; R173-A261 PolarHBondContact NH2-O 3.11Å; R173-T297 VanDerWaalsContact CZ-O 3.27Å; R173-T297 PolarHBondContact NH1-O 2.6Å; R173-T297 PolarHBondContact NH2-O 3.21Å
174	N	94.5	Very high	94.9	Very high	75 Å²	75	47.6 Å²	47.6	40%	0.401	25%	0.249	S	C	.	.	S	Bend	trans	-79.2	64.7	173.8	-166.4	19.2	0	0	0	110.5	V156 Q157 N159 Q178	V156-N174 WeakPolarHBondContact O-CB 3.5Å; V156-N174 PolarHBondContact O-ND2 2.7Å; Q157-N174 VanDerWaalsContact C-CB 3.43Å; Q157-N174 PolarHBondContact O-N 2.67Å; N159-N174 PolarHBondContact ND2-OD1 3.36Å; N174-Q178 PolarHBondContact OD1-NE2 2.78Å
175	N	89.8	Confident	95	Very high	64 Å²	64	44.6 Å²	44.6	34%	0.342	23%	0.227	S	C	.	.	S	Bend	trans	-123.3	177.9	175.1	66.4	24.2	0	0	0	109.8	R173 K177 Q178	R173-N175 PolarHBondContact O-N 3.5Å; N175-K177 PolarHBondContact O-N 2.92Å; N175-K177 PolarHBondContact OD1-N 2.9Å; N175-Q178 PolarHBondContact O-N 3.3Å; N175-Q178 VanDerWaalsContact O-N 3.12Å; N175-Q178 PolarHBondContact O-NE2 3.41Å; N175-Q178 PolarHBondContact OD1-N 2.93Å
176	Q	89.4	Confident	95	Very high	204 Å²	204	43.1 Å²	43.1	95%	0.953	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.1	-179.4	-68.6	-178.8	-11.6	0	0	113.7
177	K	89.6	Confident	94.8	Very high	179 Å²	179	43.2 Å²	43.2	78%	0.778	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-15.6	-178.9	-67	-176.5	179.3	178	0	113.3	N175 D179	N175-K177 PolarHBondContact O-N 2.92Å; N175-K177 PolarHBondContact OD1-N 2.9Å; K177-D179 PolarHBondContact O-N 2.85Å
178	Q	88.9	Confident	94.7	Very high	69 Å²	69	43.4 Å²	43.4	32%	0.322	23%	0.227	S	C	.	.			trans	46.1	48.5	-171.4	-64.2	-70	-57.1	0	0	111.5	N159 M172 R173 N174 N175 V180	N159-Q178 PolarHBondContact ND2-NE2 2.87Å; N159-Q178 PolarHBondContact ND2-OE1 2.64Å; M172-Q178 WeakPolarHBondContact CG-O 3.21Å; R173-Q178 WeakPolarHBondContact O-CA 3.36Å; N174-Q178 PolarHBondContact OD1-NE2 2.78Å; N175-Q178 PolarHBondContact O-N 3.3Å; N175-Q178 VanDerWaalsContact O-N 3.12Å; N175-Q178 PolarHBondContact O-NE2 3.41Å; N175-Q178 PolarHBondContact OD1-N 2.93Å; Q178-V180 PolarHBondContact O-N 3.04Å
179	D	92.1	Very high	94.6	Very high	29 Å²	29	43.8 Å²	43.8	16%	0.155	23%	0.229	C	C	.	.			trans	-65.5	114.2	-173.7	176.1	53.5	0	0	0	111.3	M172 R173 K177 I181 N206 K256	M172-D179 CarbonylContact C-O 3.54Å; M172-D179 WeakPolarHBondContact CA-O 3.28Å; R173-D179 PolarHBondContact N-O 3.42Å; R173-D179 IonicContact NE-OD2 3.57Å; K177-D179 PolarHBondContact O-N 2.85Å; D179-I181 PolarHBondContact O-N 3.27Å; D179-N206 PolarHBondContact OD1-ND2 2.77Å; D179-K256 IonicContact OD1-NZ 3.15Å; D179-K256 PolarHBondContact OD1-NZ 3.43Å; D179-K256 IonicContact OD2-NZ 2.81Å; D179-K256 PolarHBondContact OD2-NZ 3.4Å
180	V	95.9	Very high	94.5	Very high	43 Å²	43	43.9 Å²	43.9	26%	0.261	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	126.6	179.4	-178.2	0	0	0	0	109.5	I171 M172 Q178 D183 N206	I171-V180 WeakPolarHBondContact O-CA 3.29Å; M172-V180 HydrophobicContact CG-CB 4.21Å; M172-V180 HydrophobicContact CG-CG2 3.6Å; Q178-V180 PolarHBondContact O-N 3.04Å; V180-D183 HydrophobicContact CG1-CB 4.08Å; V180-N206 WeakPolarHBondContact O-CB 3.45Å; V180-N206 PolarHBondContact O-ND2 3.32Å
181	I	97	Very high	94.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-36	174.9	54.7	169.9	0	0	0	112.1	I171 R173 D179 N206 F262 V295	I171-I181 HydrophobicContact CB-CG1 4.13Å; I171-I181 HydrophobicContact CG2-CD1 4Å; I171-I181 HydrophobicContact CG2-CG1 4.06Å; I171-I181 VanDerWaalsContact O-CG1 3.27Å; I171-I181 WeakPolarHBondContact O-CG1 3.31Å; I171-I181 PolarHBondContact O-N 3.05Å; R173-I181 HydrophobicContact CG-CG2 4.15Å; D179-I181 PolarHBondContact O-N 3.27Å; I181-N206 PolarHBondContact O-N 3.01Å; I181-N206 VanDerWaalsContact O-N 3.15Å; I181-F262 HydrophobicContact CB-CB 4.2Å; I181-F262 HydrophobicContact CB-CD1 3.75Å; I181-F262 HydrophobicContact CB-CD2 4.25Å; I181-F262 HydrophobicContact CB-CE1 4.15Å; I181-F262 HydrophobicContact CB-CG 3.79Å; I181-F262 HydrophobicContact CD1-CB 3.88Å; I181-F262 HydrophobicContact CD1-CD2 4.43Å; I181-F262 HydrophobicContact CD1-CG 4.19Å; I181-F262 HydrophobicContact CG2-CB 4.17Å; I181-F262 HydrophobicContact CG2-CD1 3.85Å; I181-F262 HydrophobicContact CG2-CG 4.1Å; I181-F262 WeakPolarHBondContact O-CZ 3.26Å; I181-V295 HydrophobicContact CD1-CG1 3.84Å
182	L	97.7	Very high	94.3	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136.4	179.6	-67.9	172.9	0	0	0	110.2	K170 I171 F203 H204 V205 F262 I264 V295	K170-L182 WeakPolarHBondContact CA-O 3.46Å; I171-L182 HydrophobicContact CB-CB 4.28Å; I171-L182 HydrophobicContact CD1-CB 4.11Å; I171-L182 HydrophobicContact CD1-CD1 3.88Å; I171-L182 HydrophobicContact CG1-CB 4.32Å; I171-L182 PolarHBondContact N-O 3.46Å; I171-L182 PolarHBondContact O-N 3.2Å; L182-F203 HydrophobicContact CB-CD1 4.37Å; L182-F203 HydrophobicContact CD2-CB 3.97Å; L182-F203 HydrophobicContact CD2-CG 4.47Å; L182-H204 WeakPolarHBondContact CA-O 3.31Å; L182-V205 HydrophobicContact CD2-CG1 3.7Å; L182-F262 HydrophobicContact CD2-CE2 3.68Å; L182-F262 HydrophobicContact CD2-CZ 4.2Å; L182-F262 HydrophobicContact CG-CD2 4.4Å; L182-F262 HydrophobicContact CG-CE2 3.98Å; L182-I264 HydrophobicContact CD1-CB 4.35Å; L182-I264 HydrophobicContact CD1-CD1 3.95Å; L182-V295 HydrophobicContact CD1-CG1 3.94Å; L182-V295 HydrophobicContact CD1-CG2 3.75Å
183	D	97.9	Very high	94.3	Very high	30 Å²	30	40.3 Å²	40.3	16%	0.16	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	127.4	179.7	-172.8	-6.6	0	0	0	110.7	K170 V180 T185 L188 F203 H204	K170-D183 WeakPolarHBondContact CE-OD1 3.49Å; K170-D183 VanDerWaalsContact CE-OD2 3.23Å; K170-D183 WeakPolarHBondContact CE-OD2 3.4Å; K170-D183 HydrophobicContact CG-CB 4.28Å; K170-D183 WeakPolarHBondContact CG-OD1 3.39Å; K170-D183 IonicContact NZ-OD2 3.84Å; V180-D183 HydrophobicContact CG1-CB 4.08Å; D183-T185 VanDerWaalsContact OD1-CB 3.28Å; D183-T185 WeakPolarHBondContact OD1-CB 3.34Å; D183-T185 WeakPolarHBondContact OD1-CG2 3.46Å; D183-T185 PolarHBondContact OD1-N 2.79Å; D183-T185 PolarHBondContact OD1-OG1 3.03Å; D183-T185 PolarHBondContact OD2-OG1 2.91Å; D183-L188 WeakPolarHBondContact O-CD1 3.42Å; D183-F203 CarbonylContact O-C 3.41Å; D183-F203 WeakPolarHBondContact O-CA 3.41Å; D183-H204 HydrophobicContact CB-CB 4.28Å; D183-H204 PolarHBondContact N-O 3.1Å; D183-H204 VanDerWaalsContact N-O 3.08Å; D183-H204 PolarHBondContact O-N 2.76Å
184	S	97.4	Very high	94.4	Very high	7 Å²	7	39.7 Å²	39.7	5%	0.049	21%	0.212	C	C	.	.			trans	-119.5	17.8	173.9	64.7	0	0	0	0	113.4	L169 T189 T202	L169-S184 PolarHBondContact N-OG 3.25Å; L169-S184 PolarHBondContact O-N 3.48Å; L169-S184 PolarHBondContact O-OG 3.06Å; S184-T189 VanDerWaalsContact O-CG2 3.32Å; S184-T189 WeakPolarHBondContact O-CG2 3.28Å; S184-T189 PolarHBondContact O-N 3.09Å; S184-T202 WeakPolarHBondContact CB-O 3.46Å
185	T	96.7	Very high	94.4	Very high	12 Å²	12	36.2 Å²	36.2	7%	0.074	19%	0.193	C	C	.	.			trans	-86.2	-179.8	-178.1	66.9	0	0	0	0	113.4	E163 K170 D183 S187 L188	E163-T185 HydrophobicContact CG-CG2 4Å; K170-T185 HydrophobicContact CD-CG2 4.43Å; K170-T185 WeakPolarHBondContact CE-OG1 3.36Å; K170-T185 HydrophobicContact CG-CG2 3.94Å; D183-T185 VanDerWaalsContact OD1-CB 3.28Å; D183-T185 WeakPolarHBondContact OD1-CB 3.34Å; D183-T185 WeakPolarHBondContact OD1-CG2 3.46Å; D183-T185 PolarHBondContact OD1-N 2.79Å; D183-T185 PolarHBondContact OD1-OG1 3.03Å; D183-T185 PolarHBondContact OD2-OG1 2.91Å; T185-S187 PolarHBondContact O-N 3.23Å; T185-L188 WeakPolarHBondContact O-CB 3.39Å; T185-L188 PolarHBondContact O-N 3.1Å
186	G	93	Very high	94.6	Very high	42 Å²	42	36.4 Å²	36.4	43%	0.433	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	63	-132.5	177.7	0	0	0	0	0	113.2	L188 T189	G186-L188 PolarHBondContact O-N 3.36Å; G186-T189 WeakPolarHBondContact O-CG2 3.14Å; G186-T189 PolarHBondContact O-N 3.39Å; G186-T189 PolarHBondContact O-OG1 3.35Å
187	S	90.1	Very high	94.9	Very high	46 Å²	46	27.5 Å²	27.5	32%	0.322	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-66.1	-18.9	178.9	51.9	0	0	0	0	113.7	T185 T189	T185-S187 PolarHBondContact O-N 3.23Å; S187-T189 PolarHBondContact O-N 3.48Å
188	L	95.4	Very high	95.3	Very high	9 Å²	9	19 Å²	19	5%	0.047	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-70.2	-22.9	178.5	-55.4	177	0	0	0	112.6	L40 D183 T185 G186 S190 S191 T202 H204 L279	L40-L188 HydrophobicContact CD1-CD2 3.73Å; L40-L188 HydrophobicContact CD2-CD2 4.09Å; L40-L188 HydrophobicContact CG-CD2 4.38Å; D183-L188 WeakPolarHBondContact O-CD1 3.42Å; T185-L188 WeakPolarHBondContact O-CB 3.39Å; T185-L188 PolarHBondContact O-N 3.1Å; G186-L188 PolarHBondContact O-N 3.36Å; L188-S190 PolarHBondContact O-N 2.85Å; L188-S190 VanDerWaalsContact O-N 3.12Å; L188-S191 VanDerWaalsContact O-CB 3.26Å; L188-S191 WeakPolarHBondContact O-CB 3.36Å; L188-S191 PolarHBondContact O-N 3.16Å; L188-S191 PolarHBondContact O-OG 3.15Å; L188-T202 HydrophobicContact CD2-CG2 3.9Å; L188-H204 HydrophobicContact CD1-CB 3.67Å; L188-L279 HydrophobicContact CD2-CD2 3.56Å
189	T	95.8	Very high	95.7	Very high	9 Å²	9	15.8 Å²	15.8	6%	0.055	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-59.9	-25.3	179.9	60.6	0	0	0	0	113.1	P166 F167 S184 G186 S187 S191 L192	P166-T189 HydrophobicContact CB-CG2 3.96Å; P166-T189 HydrophobicContact CG-CG2 3.9Å; F167-T189 WeakPolarHBondContact O-CG2 3.34Å; S184-T189 VanDerWaalsContact O-CG2 3.32Å; S184-T189 WeakPolarHBondContact O-CG2 3.28Å; S184-T189 PolarHBondContact O-N 3.09Å; G186-T189 WeakPolarHBondContact O-CG2 3.14Å; G186-T189 PolarHBondContact O-N 3.39Å; G186-T189 PolarHBondContact O-OG1 3.35Å; S187-T189 PolarHBondContact O-N 3.48Å; T189-S191 PolarHBondContact O-N 2.82Å; T189-L192 PolarHBondContact O-N 3Å
190	S	94.5	Very high	96	Very high	3 Å²	3	14.5 Å²	14.5	2%	0.021	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-65.4	-20.9	173.7	-57.7	0	0	0	0	113.8	L188	L188-S190 PolarHBondContact O-N 2.85Å; L188-S190 VanDerWaalsContact O-N 3.12Å
191	S	95.1	Very high	96.1	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.014	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-76.6	-19.4	-177.8	69.7	0	0	0	0	114.2	L188 T189 I193 Q200 T202	L188-S191 VanDerWaalsContact O-CB 3.26Å; L188-S191 WeakPolarHBondContact O-CB 3.36Å; L188-S191 PolarHBondContact O-N 3.16Å; L188-S191 PolarHBondContact O-OG 3.15Å; T189-S191 PolarHBondContact O-N 2.82Å; S191-I193 PolarHBondContact O-N 3.14Å; S191-Q200 CarbonylContact O-C 3.42Å; S191-Q200 WeakPolarHBondContact O-CG 3.36Å; S191-Q200 PolarHBondContact O-NE2 3.33Å; S191-Q200 VanDerWaalsContact O-NE2 3.08Å; S191-T202 WeakPolarHBondContact CB-OG1 3.46Å; S191-T202 VanDerWaalsContact OG-CB 3.31Å; S191-T202 WeakPolarHBondContact OG-CB 3.48Å; S191-T202 PolarHBondContact OG-N 2.91Å; S191-T202 PolarHBondContact OG-OG1 3.17Å
192	L	97.2	Very high	96.1	Very high	6 Å²	6	12.6 Å²	12.6	3%	0.031	8%	0.082	C	C	.	.			trans	-73.4	96.5	-177.4	-178.5	58.8	0	0	0	110	Y83 K101 I114 F130 F167 T189 I194 Q200 I201 L291	Y83-L192 HydrophobicContact CD2-CB 4.24Å; Y83-L192 HydrophobicContact CD2-CD2 3.57Å; Y83-L192 HydrophobicContact CD2-CG 3.64Å; Y83-L192 HydrophobicContact CE2-CD2 4.22Å; Y83-L192 HydrophobicContact CE2-CG 3.88Å; Y83-L192 WeakPolarHBondContact CE2-O 3.36Å; Y83-L192 HydrophobicContact CG-CD2 4.21Å; K101-L192 PolarHBondContact NZ-O 3.37Å; I114-L192 HydrophobicContact CD1-CD2 4.34Å; F130-L192 HydrophobicContact CD1-CD1 4.34Å; F130-L192 HydrophobicContact CD1-CD2 4.44Å; F130-L192 HydrophobicContact CE1-CD1 4.3Å; F130-L192 HydrophobicContact CE1-CD2 4.01Å; F167-L192 HydrophobicContact CD1-CD2 3.86Å; F167-L192 HydrophobicContact CE1-CD2 4.04Å; T189-L192 PolarHBondContact O-N 3Å; L192-I194 HydrophobicContact CD1-CD1 4.14Å; L192-I194 HydrophobicContact CD1-CG1 4.2Å; L192-Q200 WeakPolarHBondContact CA-O 3.07Å; L192-I201 HydrophobicContact CD1-CB 4.23Å; L192-I201 HydrophobicContact CD1-CD1 4.19Å; L192-I201 HydrophobicContact CD1-CG1 4.32Å; L192-L291 HydrophobicContact CD1-CD1 4.22Å
193	I	96.9	Very high	96.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127.1	177.8	-53.7	-55.9	0	0	0	107.9	F76 Y80 Y106 E110 S191 F198 L199 Q200	F76-I193 HydrophobicContact CE1-CD1 4.49Å; F76-I193 HydrophobicContact CZ-CG1 4.46Å; Y80-I193 HydrophobicContact CE1-CD1 4.06Å; Y106-I193 HydrophobicContact CD1-CG2 3.78Å; Y106-I193 HydrophobicContact CD2-CD1 4.13Å; Y106-I193 HydrophobicContact CD2-CG1 4.08Å; Y106-I193 HydrophobicContact CG-CD1 4.19Å; Y106-I193 HydrophobicContact CG-CG1 4.12Å; Y106-I193 HydrophobicContact CG-CG2 3.82Å; E110-I193 HydrophobicContact CG-CG2 4.33Å; S191-I193 PolarHBondContact O-N 3.14Å; I193-F198 HydrophobicContact CB-CD1 4.35Å; I193-F198 HydrophobicContact CB-CE1 4.24Å; I193-F198 HydrophobicContact CG2-CD1 3.91Å; I193-F198 HydrophobicContact CG2-CE1 4.17Å; I193-L199 CarbonylContact O-C 3.52Å; I193-L199 WeakPolarHBondContact O-CA 3.45Å; I193-Q200 HydrophobicContact CB-CB 4.23Å; I193-Q200 PolarHBondContact N-O 3.35Å; I193-Q200 VanDerWaalsContact N-O 3.08Å; I193-Q200 PolarHBondContact O-N 3.18Å
194	I	97.2	Very high	96.1	Very high	4 Å²	4	13.9 Å²	13.9	2%	0.021	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	114	175.9	-56.2	-67.2	0	0	0	108.4	Y83 I111 I114 I132 L192 L199 L291	Y83-I194 HydrophobicContact CE2-CG1 4.49Å; I111-I194 HydrophobicContact CB-CG2 4.29Å; I111-I194 WeakPolarHBondContact CB-O 3.12Å; I111-I194 HydrophobicContact CG1-CG2 4.28Å; I111-I194 WeakPolarHBondContact CG1-O 2.99Å; I111-I194 PolarHBondContact N-O 3.25Å; I114-I194 HydrophobicContact CD1-CG1 3.91Å; I114-I194 HydrophobicContact CG2-CB 4.17Å; I114-I194 HydrophobicContact CG2-CG1 4.35Å; I114-I194 HydrophobicContact CG2-CG2 4.06Å; I132-I194 HydrophobicContact CD1-CG2 3.86Å; I132-I194 HydrophobicContact CG1-CG2 4.07Å; L192-I194 HydrophobicContact CD1-CD1 4.14Å; L192-I194 HydrophobicContact CD1-CG1 4.2Å; I194-L199 HydrophobicContact CD1-CB 4.12Å; I194-L199 HydrophobicContact CD1-CD2 4.13Å; I194-L199 HydrophobicContact CD1-CG 4.2Å; I194-L291 HydrophobicContact CD1-CD1 3.57Å; I194-L291 HydrophobicContact CD1-CG 4.03Å
195	S	95.5	Very high	96.1	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.007	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	172.7	172.5	-57.4	0	0	0	0	109.2	E110 Q197 F198	E110-S195 WeakPolarHBondContact CA-OG 3.47Å; S195-Q197 VanDerWaalsContact C-N 3.3Å; S195-Q197 PolarHBondContact O-N 2.6Å; S195-F198 WeakPolarHBondContact CA-O 3.45Å; S195-F198 WeakPolarHBondContact CB-O 3.49Å; S195-F198 PolarHBondContact N-O 3.18Å
196	N	93.5	Very high	96	Very high	68 Å²	68	15.7 Å²	15.7	36%	0.364	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-41.3	-178.9	-171.9	51.6	0	0	0	113.2	R138	R138-N196 PolarHBondContact NH1-OD1 2.91Å; R138-N196 PolarHBondContact NH2-O 3.14Å
197	Q	95.9	Very high	96.2	Very high	17 Å²	17	14.3 Å²	14.3	8%	0.079	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	25	-176.4	-65.3	-178.2	-89.4	0	0	113.9	S195 I287 T494 P499 Y526	S195-Q197 VanDerWaalsContact C-N 3.3Å; S195-Q197 PolarHBondContact O-N 2.6Å; Q197-I287 CarbonylContact C-O 3.55Å; Q197-I287 WeakPolarHBondContact CA-O 3.49Å; Q197-I287 WeakPolarHBondContact O-CA 3.22Å; Q197-T494 PolarHBondContact NE2-O 2.77Å; Q197-P499 HydrophobicContact CB-CG 4.2Å; Q197-Y526 PolarHBondContact NE2-OH 3.46Å
198	F	97	Very high	96.4	Very high	1 Å²	1	13.4 Å²	13.4	0%	0.004	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	115	172.3	-174.8	-98.5	0	0	0	109.7	P44 Y106 Y107 I193 S195 Q200 R285 T286 Y500	P44-F198 HydrophobicContact CG-CE2 4.38Å; P44-F198 HydrophobicContact CG-CZ 4.23Å; Y106-F198 HydrophobicContact CD1-CD1 4.15Å; Y106-F198 HydrophobicContact CD1-CE1 4.11Å; Y106-F198 AromaticContact CE1-CD1 3.72Å; Y106-F198 HydrophobicContact CE1-CD1 3.72Å; Y106-F198 AromaticContact CE1-CE1 3.37Å; Y106-F198 HydrophobicContact CE1-CE1 3.37Å; Y106-F198 AromaticContact CE1-CZ 3.95Å; Y106-F198 HydrophobicContact CE1-CZ 3.95Å; Y106-F198 AromaticContact CZ-CE1 3.74Å; Y107-F198 HydrophobicContact CD2-CB 4.07Å; Y107-F198 HydrophobicContact CD2-CD1 4.45Å; Y107-F198 HydrophobicContact CD2-CG 4.47Å; Y107-F198 HydrophobicContact CE2-CB 3.47Å; Y107-F198 VanDerWaalsContact CE2-CB 3.47Å; Y107-F198 AromaticContact CE2-CD1 3.79Å; Y107-F198 HydrophobicContact CE2-CD1 3.79Å; Y107-F198 HydrophobicContact CE2-CD2 4.28Å; Y107-F198 AromaticContact CE2-CG 3.61Å; Y107-F198 HydrophobicContact CE2-CG 3.61Å; I193-F198 HydrophobicContact CB-CD1 4.35Å; I193-F198 HydrophobicContact CB-CE1 4.24Å; I193-F198 HydrophobicContact CG2-CD1 3.91Å; I193-F198 HydrophobicContact CG2-CE1 4.17Å; S195-F198 WeakPolarHBondContact CA-O 3.45Å; S195-F198 WeakPolarHBondContact CB-O 3.49Å; S195-F198 PolarHBondContact N-O 3.18Å; F198-Q200 HydrophobicContact CE1-CB 3.81Å; F198-Q200 HydrophobicContact CZ-CB 4.15Å; F198-R285 HydrophobicContact CE2-CB 4.42Å; F198-R285 HydrophobicContact CE2-CG 4.44Å; F198-R285 HydrophobicContact CZ-CG 4.32Å; F198-T286 CarbonylContact C-O 3.59Å; F198-T286 WeakPolarHBondContact CA-O 3.31Å; F198-Y500 AromaticContact CD2-CD1 3.55Å; F198-Y500 HydrophobicContact CD2-CD1 3.55Å; F198-Y500 HydrophobicContact CD2-CD2 4.4Å; F198-Y500 HydrophobicContact CD2-CE1 4.2Å; F198-Y500 AromaticContact CD2-CG 3.66Å; F198-Y500 HydrophobicContact CD2-CG 3.66Å; F198-Y500 AromaticContact CE2-CD1 3.63Å; F198-Y500 HydrophobicContact CE2-CD1 3.63Å; F198-Y500 HydrophobicContact CE2-CD2 4.05Å; F198-Y500 AromaticContact CE2-CE1 3.87Å; F198-Y500 HydrophobicContact CE2-CE1 3.87Å; F198-Y500 HydrophobicContact CE2-CE2 4.3Å; F198-Y500 AromaticContact CE2-CG 3.73Å; F198-Y500 HydrophobicContact CE2-CG 3.73Å
199	L	97.9	Very high	96.4	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.01	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.1	177.5	-60.4	81.4	0	0	0	107.5	I193 I194 R285 T286 L291	I193-L199 CarbonylContact O-C 3.52Å; I193-L199 WeakPolarHBondContact O-CA 3.45Å; I194-L199 HydrophobicContact CD1-CB 4.12Å; I194-L199 HydrophobicContact CD1-CD2 4.13Å; I194-L199 HydrophobicContact CD1-CG 4.2Å; L199-R285 CarbonylContact O-C 3.58Å; L199-R285 VanDerWaalsContact O-CA 3.3Å; L199-R285 WeakPolarHBondContact O-CA 3.42Å; L199-T286 HydrophobicContact CB-CG2 3.81Å; L199-T286 HydrophobicContact CD1-CG2 4.23Å; L199-T286 HydrophobicContact CG-CG2 4.45Å; L199-T286 PolarHBondContact N-O 3.11Å; L199-T286 PolarHBondContact O-N 3.35Å; L199-L291 HydrophobicContact CB-CD2 3.74Å; L199-L291 HydrophobicContact CB-CG 4.07Å; L199-L291 HydrophobicContact CD2-CD2 4.33Å; L199-L291 HydrophobicContact CD2-CG 4.08Å
200	Q	98.1	Very high	96.5	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	142	-178.4	-173.3	-179.5	-97.9	0	0	111.4	S191 L192 I193 F198 T283 Y284 R285	S191-Q200 CarbonylContact O-C 3.42Å; S191-Q200 WeakPolarHBondContact O-CG 3.36Å; S191-Q200 PolarHBondContact O-NE2 3.33Å; S191-Q200 VanDerWaalsContact O-NE2 3.08Å; L192-Q200 WeakPolarHBondContact CA-O 3.07Å; I193-Q200 HydrophobicContact CB-CB 4.23Å; I193-Q200 PolarHBondContact N-O 3.35Å; I193-Q200 VanDerWaalsContact N-O 3.08Å; I193-Q200 PolarHBondContact O-N 3.18Å; F198-Q200 HydrophobicContact CE1-CB 3.81Å; F198-Q200 HydrophobicContact CZ-CB 4.15Å; Q200-T283 HydrophobicContact CG-CG2 3.64Å; Q200-Y284 VanDerWaalsContact CA-O 3.22Å; Q200-Y284 WeakPolarHBondContact CA-O 3.43Å; Q200-Y284 WeakPolarHBondContact CG-O 3.43Å; Q200-R285 HydrophobicContact CB-CG 4.35Å; Q200-R285 HydrophobicContact CG-CG 3.86Å
201	I	98	Very high	96.6	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.015	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	144.6	165.8	-170.4	168.7	0	0	0	110	F130 L192 F203 T283 Y284 L291 F293	F130-I201 HydrophobicContact CE2-CD1 3.88Å; F130-I201 HydrophobicContact CZ-CD1 3.71Å; L192-I201 HydrophobicContact CD1-CB 4.23Å; L192-I201 HydrophobicContact CD1-CD1 4.19Å; L192-I201 HydrophobicContact CD1-CG1 4.32Å; I201-F203 HydrophobicContact CD1-CE1 4.16Å; I201-F203 HydrophobicContact CD1-CE2 4Å; I201-F203 HydrophobicContact CD1-CZ 3.57Å; I201-F203 HydrophobicContact CG1-CE2 4.11Å; I201-F203 HydrophobicContact CG1-CZ 4.13Å; I201-F203 HydrophobicContact CG2-CD2 4.49Å; I201-F203 HydrophobicContact CG2-CE2 3.79Å; I201-F203 HydrophobicContact CG2-CZ 4.42Å; I201-T283 WeakPolarHBondContact O-CA 3.01Å; I201-Y284 PolarHBondContact N-O 3.03Å; I201-Y284 VanDerWaalsContact N-O 3.16Å; I201-Y284 PolarHBondContact O-N 2.89Å; I201-L291 HydrophobicContact CB-CD1 4.04Å; I201-L291 HydrophobicContact CG2-CD1 3.9Å; I201-F293 HydrophobicContact CG2-CE2 3.65Å; I201-F293 HydrophobicContact CG2-CZ 3.56Å
202	T	97.9	Very high	96.7	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.006	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.2	173.8	-55.6	0	0	0	0	111	L40 S184 L188 S191 A281 I282 T283	L40-T202 HydrophobicContact CD2-CG2 4.01Å; S184-T202 WeakPolarHBondContact CB-O 3.46Å; L188-T202 HydrophobicContact CD2-CG2 3.9Å; S191-T202 WeakPolarHBondContact CB-OG1 3.46Å; S191-T202 VanDerWaalsContact OG-CB 3.31Å; S191-T202 WeakPolarHBondContact OG-CB 3.48Å; S191-T202 PolarHBondContact OG-N 2.91Å; S191-T202 PolarHBondContact OG-OG1 3.17Å; T202-A281 HydrophobicContact CG2-CB 3.84Å; T202-I282 WeakPolarHBondContact CA-O 3.41Å; T202-T283 WeakPolarHBondContact CG2-OG1 3.47Å; T202-T283 WeakPolarHBondContact OG1-CG2 3.32Å; T202-T283 PolarHBondContact OG1-OG1 3.08Å
203	F	97.8	Very high	96.7	Very high	1 Å²	1	14 Å²	14	0%	0.004	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.2	167.2	-61.3	-82.7	0	0	0	109.8	L169 L182 D183 I201 I264 A281 I282 Y284 F293	L169-F203 HydrophobicContact CD2-CE1 4.45Å; L182-F203 HydrophobicContact CB-CD1 4.37Å; L182-F203 HydrophobicContact CD2-CB 3.97Å; L182-F203 HydrophobicContact CD2-CG 4.47Å; D183-F203 CarbonylContact O-C 3.41Å; D183-F203 WeakPolarHBondContact O-CA 3.41Å; I201-F203 HydrophobicContact CD1-CE1 4.16Å; I201-F203 HydrophobicContact CD1-CE2 4Å; I201-F203 HydrophobicContact CD1-CZ 3.57Å; I201-F203 HydrophobicContact CG1-CE2 4.11Å; I201-F203 HydrophobicContact CG1-CZ 4.13Å; I201-F203 HydrophobicContact CG2-CD2 4.49Å; I201-F203 HydrophobicContact CG2-CE2 3.79Å; I201-F203 HydrophobicContact CG2-CZ 4.42Å; F203-I264 HydrophobicContact CD2-CD1 4.18Å; F203-I264 HydrophobicContact CE2-CD1 4.18Å; F203-A281 CarbonylContact O-C 3.51Å; F203-A281 VanDerWaalsContact O-CA 3.26Å; F203-A281 WeakPolarHBondContact O-CA 3.29Å; F203-A281 WeakPolarHBondContact O-CB 3.45Å; F203-I282 PolarHBondContact N-O 2.69Å; F203-I282 PolarHBondContact O-N 3.33Å; F203-Y284 HydrophobicContact CD2-CD2 4.29Å; F203-Y284 HydrophobicContact CD2-CE2 4.19Å; F203-F293 HydrophobicContact CE2-CD2 4.44Å; F203-F293 HydrophobicContact CE2-CE1 4.41Å; F203-F293 HydrophobicContact CE2-CE2 4.14Å; F203-F293 HydrophobicContact CE2-CZ 4.14Å
204	H	97.6	Very high	96.6	Very high	56 Å²	56	14.1 Å²	14.1	26%	0.259	7%	0.072	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	131.2	157.8	171.9	-70.1	0	0	0	108.6	L182 D183 L188 L279	L182-H204 WeakPolarHBondContact CA-O 3.31Å; D183-H204 HydrophobicContact CB-CB 4.28Å; D183-H204 PolarHBondContact N-O 3.1Å; D183-H204 VanDerWaalsContact N-O 3.08Å; D183-H204 PolarHBondContact O-N 2.76Å; L188-H204 HydrophobicContact CD1-CB 3.67Å; H204-L279 PolarHBondContact CD2-O 2.77Å; H204-L279 PolarHBondContact NE2-O 2.91Å
205	V	96.6	Very high	96.6	Very high	1 Å²	1	14 Å²	14	1%	0.006	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.6	-179.4	-72	0	0	0	0	109.5	L182 A207 L224 F252 F262 P280 I282	L182-V205 HydrophobicContact CD2-CG1 3.7Å; V205-A207 VanDerWaalsContact C-N 3.29Å; V205-A207 PolarHBondContact O-N 2.88Å; V205-L224 HydrophobicContact CG2-CD1 4.1Å; V205-L224 HydrophobicContact CG2-CD2 4.42Å; V205-F252 HydrophobicContact CG1-CE1 4.31Å; V205-F262 HydrophobicContact CB-CZ 3.98Å; V205-F262 HydrophobicContact CG1-CE2 4.42Å; V205-F262 HydrophobicContact CG1-CZ 4.1Å; V205-P280 HydrophobicContact CG2-CB 4.29Å; V205-P280 WeakPolarHBondContact CG2-O 3.42Å; V205-P280 PolarHBondContact N-O 3.03Å; V205-I282 HydrophobicContact CG1-CD1 3.76Å; V205-I282 HydrophobicContact CG1-CG1 3.86Å; V205-I282 HydrophobicContact CG2-CD1 4.32Å; V205-I282 HydrophobicContact CG2-CG1 4.05Å
206	N	94.9	Very high	96.6	Very high	57 Å²	57	13.9 Å²	13.9	31%	0.305	7%	0.071	S	C	.	.			trans	-81.5	78.7	176.6	-172.3	10.6	0	0	0	110.4	D179 V180 I181 K256	D179-N206 PolarHBondContact OD1-ND2 2.77Å; V180-N206 WeakPolarHBondContact O-CB 3.45Å; V180-N206 PolarHBondContact O-ND2 3.32Å; I181-N206 PolarHBondContact O-N 3.01Å; I181-N206 VanDerWaalsContact O-N 3.15Å; N206-K256 WeakPolarHBondContact O-CD 3.48Å; N206-K256 WeakPolarHBondContact O-CG 3.32Å
207	A	96.4	Very high	96.6	Very high	12 Å²	12	11.6 Å²	11.6	10%	0.099	6%	0.058	C	C	.	.			trans	-151.9	152.2	-178.3	0	0	0	0	0	110.4	V205 L224 L255 F262	V205-A207 VanDerWaalsContact C-N 3.29Å; V205-A207 PolarHBondContact O-N 2.88Å; A207-L224 HydrophobicContact CB-CD1 3.7Å; A207-L224 VanDerWaalsContact O-CD1 3.29Å; A207-L224 WeakPolarHBondContact O-CD1 3.37Å; A207-L255 CarbonylContact C-O 3.5Å; A207-L255 WeakPolarHBondContact CA-O 3.29Å; A207-L255 VanDerWaalsContact CB-O 3.27Å; A207-L255 WeakPolarHBondContact CB-O 3.5Å; A207-F262 HydrophobicContact CB-CE1 4.19Å
208	Q	95.2	Very high	96.4	Very high	27 Å²	27	11.9 Å²	11.9	13%	0.126	6%	0.059	C	C	.	.	S	Bend	trans	-95	-22	172.1	75.8	-66.2	-25.3	0	0	113.1	L255 K256 Y257 H696	Q208-L255 PolarHBondContact N-O 3.01Å; Q208-L255 VanDerWaalsContact NE2-C 3.28Å; Q208-L255 PolarHBondContact NE2-O 3.08Å; Q208-L255 PolarHBondContact OE1-O 2.77Å; Q208-K256 PolarHBondContact NE2-O 2.86Å; Q208-K256 PolarHBondContact OE1-O 3.46Å; Q208-Y257 HydrophobicContact CB-CD1 4.43Å; Q208-Y257 HydrophobicContact CB-CD2 4.11Å; Q208-Y257 HydrophobicContact CB-CE1 3.96Å; Q208-Y257 HydrophobicContact CB-CE2 3.6Å; Q208-Y257 HydrophobicContact CB-CG 4.5Å; Q208-Y257 HydrophobicContact CG-CD1 4Å; Q208-Y257 HydrophobicContact CG-CD2 4.36Å; Q208-Y257 HydrophobicContact CG-CE1 3.84Å; Q208-Y257 HydrophobicContact CG-CE2 4.21Å; Q208-Y257 HydrophobicContact CG-CG 4.26Å; Q208-H696 PolarHBondContact NE2-CE1 3.11Å; Q208-H696 VanDerWaalsContact NE2-CE1 3.27Å; Q208-H696 PolarHBondContact NE2-ND1 3.47Å
209	K	96.3	Very high	96.2	Very high	40 Å²	40	15.4 Å²	15.4	17%	0.174	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	145.6	177	-68.7	-62.8	177.9	179	0	110.3	F211 P221 L255 H696	K209-F211 HydrophobicContact CB-CE2 4.41Å; K209-P221 HydrophobicContact CB-CB 4.22Å; K209-P221 HydrophobicContact CD-CB 4.25Å; K209-L255 PolarHBondContact N-O 2.91Å; K209-L255 PolarHBondContact O-N 3.06Å; K209-H696 HydrophobicContact CG-CB 4.23Å; K209-H696 WeakPolarHBondContact CG-O 3.21Å
210	G	97	Very high	96	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	150.4	175.4	0	0	0	0	0	112.5	N222 F252 M253	G210-N222 VanDerWaalsContact C-ND2 3.34Å; G210-N222 PolarHBondContact N-O 3.48Å; G210-N222 WeakPolarHBondContact O-CB 3.32Å; G210-N222 PolarHBondContact O-N 3.38Å; G210-N222 PolarHBondContact O-ND2 3.2Å; G210-F252 VanDerWaalsContact CA-CE2 3.46Å; G210-F252 VanDerWaalsContact CA-CZ 3.4Å; G210-M253 CarbonylContact C-O 3.54Å; G210-M253 WeakPolarHBondContact CA-O 3.16Å
211	F	97.4	Very high	95.9	Very high	1 Å²	1	16.1 Å²	16.1	0%	0.004	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.4	175.1	-55.9	-94.7	0	0	0	109.4	K209 F220 P221 F252 M253 L255 M594 A686 F687	K209-F211 HydrophobicContact CB-CE2 4.41Å; F211-F220 HydrophobicContact CD1-CD2 4.46Å; F211-F220 HydrophobicContact CD1-CE1 4.45Å; F211-F220 AromaticContact CD1-CE2 3.58Å; F211-F220 HydrophobicContact CD1-CE2 3.58Å; F211-F220 AromaticContact CD1-CZ 3.56Å; F211-F220 HydrophobicContact CD1-CZ 3.56Å; F211-F220 HydrophobicContact CE1-CE1 4.19Å; F211-F220 HydrophobicContact CE1-CE2 4.14Å; F211-F220 AromaticContact CE1-CZ 3.67Å; F211-F220 HydrophobicContact CE1-CZ 3.67Å; F211-P221 HydrophobicContact CD1-CB 4.03Å; F211-P221 HydrophobicContact CD1-CG 4.29Å; F211-P221 HydrophobicContact CE1-CB 3.61Å; F211-P221 HydrophobicContact CE1-CG 3.46Å; F211-P221 VanDerWaalsContact CE1-CG 3.46Å; F211-P221 HydrophobicContact CZ-CB 3.87Å; F211-P221 HydrophobicContact CZ-CG 3.79Å; F211-F252 CarbonylContact O-C 3.54Å; F211-F252 VanDerWaalsContact O-CA 3.32Å; F211-F252 WeakPolarHBondContact O-CA 3.12Å; F211-F252 WeakPolarHBondContact O-CD2 3.44Å; F211-M253 HydrophobicContact CB-CB 4.37Å; F211-M253 HydrophobicContact CB-CE 4.22Å; F211-M253 HydrophobicContact CD2-CE 3.85Å; F211-M253 HydrophobicContact CG-CE 4.1Å; F211-M253 PolarHBondContact N-O 2.93Å; F211-M253 PolarHBondContact O-N 3.01Å; F211-L255 HydrophobicContact CE2-CB 3.82Å; F211-L255 HydrophobicContact CE2-CD2 3.95Å; F211-L255 HydrophobicContact CZ-CD2 4.18Å; F211-M594 HydrophobicContact CB-CE 4.15Å; F211-M594 HydrophobicContact CB-SD 3.64Å; F211-A686 HydrophobicContact CZ-CB 4.17Å; F211-F687 HydrophobicContact CB-CZ 4.42Å; F211-F687 AromaticContact CD1-CE1 3.61Å; F211-F687 HydrophobicContact CD1-CE1 3.61Å; F211-F687 AromaticContact CD1-CZ 3.63Å; F211-F687 HydrophobicContact CD1-CZ 3.63Å; F211-F687 AromaticContact CD2-CE1 3.99Å; F211-F687 HydrophobicContact CD2-CE1 3.99Å; F211-F687 AromaticContact CE1-CE1 3.52Å; F211-F687 HydrophobicContact CE1-CE1 3.52Å; F211-F687 AromaticContact CE1-CZ 3.95Å; F211-F687 HydrophobicContact CE1-CZ 3.95Å; F211-F687 AromaticContact CE2-CE1 3.94Å; F211-F687 HydrophobicContact CE2-CE1 3.94Å; F211-F687 AromaticContact CG-CE1 3.85Å; F211-F687 HydrophobicContact CG-CE1 3.85Å; F211-F687 AromaticContact CG-CZ 3.95Å; F211-F687 HydrophobicContact CG-CZ 3.95Å; F211-F687 AromaticContact CZ-CE1 3.71Å; F211-F687 HydrophobicContact CZ-CE1 3.71Å
212	G	95.9	Very high	95.7	Very high	1 Å²	1	16 Å²	16	1%	0.01	8%	0.084	C	C	.	.			trans	66.6	-164.5	-169.2	0	0	0	0	0	112.5	K218 N222 F251	G212-K218 PolarHBondContact O-NZ 3.1Å; G212-N222 PolarHBondContact O-ND2 3.3Å; G212-F251 WeakPolarHBondContact CA-O 3.27Å
213	P	96.7	Very high	95.4	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.006	9%	0.087	C	C	.	.			cis	-57	169.7	-30.8	28.1	-34.5	0	0	0	112.1	K218 F232 H249 F251 V274	P213-K218 VanDerWaalsContact O-CE 3.29Å; P213-K218 WeakPolarHBondContact O-CE 3.45Å; P213-K218 PolarHBondContact O-NZ 2.87Å; P213-F232 HydrophobicContact CB-CE1 4.1Å; P213-F232 HydrophobicContact CB-CE2 4.37Å; P213-F232 HydrophobicContact CB-CZ 3.74Å; P213-F232 HydrophobicContact CG-CE1 4.36Å; P213-F232 HydrophobicContact CG-CE2 3.93Å; P213-F232 HydrophobicContact CG-CZ 3.51Å; P213-H249 VanDerWaalsContact CA-O 3.28Å; P213-H249 WeakPolarHBondContact CA-O 3.32Å; P213-H249 WeakPolarHBondContact CB-O 3.5Å; P213-F251 WeakPolarHBondContact CA-O 3.32Å; P213-V274 HydrophobicContact CG-CB 4.16Å; P213-V274 HydrophobicContact CG-CG1 4.22Å; P213-V274 HydrophobicContact CG-CG2 4.03Å
214	G	96.3	Very high	95.3	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.01	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-146.5	-175.7	179.8	0	0	0	0	0	111.1	F232 H249	G214-F232 WeakPolarHBondContact O-CD1 3.46Å; G214-F232 WeakPolarHBondContact O-CE1 3.01Å; G214-H249 PolarHBondContact N-O 3.43Å; G214-H249 VanDerWaalsContact N-O 3.09Å; G214-H249 WeakPolarHBondContact O-CA 3.42Å; G214-H249 PolarHBondContact O-N 2.9Å
215	E	97.6	Very high	95	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	11%	0.105	C	C	.	.	S	Bend	cis	-88.7	116.5	3.2	-175.5	-176.9	-176.1	0	0	111.5	L245 Y246 G247 H570 F592	E215-L245 HydrophobicContact CB-CB 4.41Å; E215-L245 HydrophobicContact CG-CB 4.05Å; E215-L245 HydrophobicContact CG-CD1 4.17Å; E215-L245 PolarHBondContact O-N 2.74Å; E215-Y246 WeakPolarHBondContact OE1-CD2 3.38Å; E215-Y246 PolarHBondContact OE2-N 3.5Å; E215-G247 WeakPolarHBondContact CB-O 3.49Å; E215-G247 PolarHBondContact N-O 2.98Å; E215-G247 PolarHBondContact OE2-N 2.86Å; E215-H570 IonicContact OE1-CE1 3.5Å; E215-H570 IonicContact OE1-NE2 3.08Å; E215-H570 PolarHBondContact OE1-NE2 3.27Å; E215-H570 IonicContact OE2-CE1 3.41Å; E215-H570 IonicContact OE2-NE2 3.74Å; E215-F592 HydrophobicContact CB-CE2 4.47Å; E215-F592 HydrophobicContact CB-CZ 4.1Å; E215-F592 HydrophobicContact CG-CE2 3.83Å; E215-F592 HydrophobicContact CG-CZ 3.8Å
216	I	95.5	Very high	94.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.			trans	-150.7	137	-178.5	-62	-177	0	0	0	108.5	K218 L230 F232 Q588	I216-K218 HydrophobicContact CG2-CB 4.09Å; I216-K218 HydrophobicContact CG2-CD 4.4Å; I216-K218 HydrophobicContact CG2-CG 4.35Å; I216-K218 PolarHBondContact O-N 3.12Å; I216-L230 HydrophobicContact CD1-CB 3.72Å; I216-L230 HydrophobicContact CD1-CD1 4.41Å; I216-L230 HydrophobicContact CD1-CD2 4.1Å; I216-L230 HydrophobicContact CD1-CG 4.29Å; I216-L230 HydrophobicContact CG2-CD2 4.43Å; I216-F232 HydrophobicContact CD1-CD1 4.23Å; I216-F232 HydrophobicContact CD1-CE1 3.5Å; I216-F232 VanDerWaalsContact CD1-CE1 3.5Å; I216-F232 HydrophobicContact CD1-CE2 4.3Å; I216-F232 HydrophobicContact CD1-CZ 3.52Å; I216-F232 HydrophobicContact CG1-CE1 3.91Å; I216-F232 HydrophobicContact CG1-CZ 4.38Å; I216-Q588 VanDerWaalsContact C-NE2 3.35Å; I216-Q588 PolarHBondContact O-NE2 3.48Å
217	E	93.4	Very high	94.7	Very high	20 Å²	20	24.1 Å²	24.1	9%	0.093	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-76	107.7	165.3	-64	-161.1	155.5	0	0	110.4	P239 P241 N242 L245 T584	E217-P239 HydrophobicContact CG-CB 4.09Å; E217-P239 WeakPolarHBondContact OE1-CB 3.39Å; E217-P241 CarbonylContact O-C 3.55Å; E217-P241 WeakPolarHBondContact O-CA 3.29Å; E217-N242 PolarHBondContact O-N 2.74Å; E217-L245 HydrophobicContact CG-CD1 4.1Å; E217-T584 HydrophobicContact CB-CG2 3.91Å; E217-T584 VanDerWaalsContact CD-CG2 3.48Å; E217-T584 HydrophobicContact CG-CG2 3.53Å; E217-T584 WeakPolarHBondContact OE1-CG2 3.28Å
218	K	90.8	Very high	94.5	Very high	22 Å²	22	24.6 Å²	24.6	10%	0.096	12%	0.122	C	C	.	.			trans	-147.5	170.6	-177.5	61.8	178.9	175	173.8	0	111.7	G212 P213 I216 F220 N222 M228 L230	G212-K218 PolarHBondContact O-NZ 3.1Å; P213-K218 VanDerWaalsContact O-CE 3.29Å; P213-K218 WeakPolarHBondContact O-CE 3.45Å; P213-K218 PolarHBondContact O-NZ 2.87Å; I216-K218 HydrophobicContact CG2-CB 4.09Å; I216-K218 HydrophobicContact CG2-CD 4.4Å; I216-K218 HydrophobicContact CG2-CG 4.35Å; I216-K218 PolarHBondContact O-N 3.12Å; K218-F220 PolarHBondContact O-N 3.22Å; K218-N222 WeakPolarHBondContact CD-OD1 3.22Å; K218-N222 WeakPolarHBondContact CE-OD1 3.5Å; K218-N222 PolarHBondContact NZ-OD1 3.15Å; K218-M228 HydrophobicContact CB-CE 4.49Å; K218-M228 HydrophobicContact CD-CE 4.36Å; K218-L230 HydrophobicContact CD-CD1 3.69Å; K218-L230 HydrophobicContact CD-CD2 4.32Å; K218-L230 VanDerWaalsContact NZ-CD1 3.26Å
219	V	91.8	Very high	94.4	Very high	76 Å²	76	26.4 Å²	26.4	46%	0.461	13%	0.127	S	C	.	.			trans	-55	131.3	172.1	58.6	0	0	0	0	111	P223 M228	V219-P223 HydrophobicContact CG1-CG 3.89Å; V219-M228 HydrophobicContact CG1-CE 3.85Å; V219-M228 HydrophobicContact CG1-SD 4.01Å
220	F	93.9	Very high	94.4	Very high	11 Å²	11	24.5 Å²	24.5	5%	0.048	12%	0.119	C	C	.	.	S	Bend	trans	-126.2	137.1	179.7	-178.7	-87.8	0	0	0	111.1	F211 K218 V587 I590 N591 A684 N699	F211-F220 HydrophobicContact CD1-CD2 4.46Å; F211-F220 HydrophobicContact CD1-CE1 4.45Å; F211-F220 AromaticContact CD1-CE2 3.58Å; F211-F220 HydrophobicContact CD1-CE2 3.58Å; F211-F220 AromaticContact CD1-CZ 3.56Å; F211-F220 HydrophobicContact CD1-CZ 3.56Å; F211-F220 HydrophobicContact CE1-CE1 4.19Å; F211-F220 HydrophobicContact CE1-CE2 4.14Å; F211-F220 AromaticContact CE1-CZ 3.67Å; F211-F220 HydrophobicContact CE1-CZ 3.67Å; K218-F220 PolarHBondContact O-N 3.22Å; F220-V587 HydrophobicContact CB-CB 4.2Å; F220-V587 HydrophobicContact CB-CG1 3.48Å; F220-V587 VanDerWaalsContact CB-CG1 3.48Å; F220-V587 HydrophobicContact CB-CG2 3.61Å; F220-V587 HydrophobicContact CD1-CG2 4.1Å; F220-V587 HydrophobicContact CD2-CG1 3.65Å; F220-V587 HydrophobicContact CE2-CG1 4.49Å; F220-V587 HydrophobicContact CG-CB 4.34Å; F220-V587 HydrophobicContact CG-CG1 3.66Å; F220-V587 HydrophobicContact CG-CG2 3.91Å; F220-I590 HydrophobicContact CE1-CD1 4.32Å; F220-I590 HydrophobicContact CE2-CG2 4.29Å; F220-I590 HydrophobicContact CZ-CB 4.45Å; F220-I590 HydrophobicContact CZ-CD1 4.4Å; F220-I590 HydrophobicContact CZ-CG2 3.79Å; F220-N591 WeakPolarHBondContact CE2-OD1 3.36Å; F220-A684 HydrophobicContact CE1-CB 4.38Å; F220-A684 HydrophobicContact CZ-CB 4.19Å; F220-N699 HydrophobicContact CB-CB 4.46Å; F220-N699 HydrophobicContact CD1-CB 3.77Å; F220-N699 VanDerWaalsContact O-CB 3.3Å; F220-N699 WeakPolarHBondContact O-CB 3.41Å; F220-N699 PolarHBondContact O-ND2 3.5Å; F220-N699 VanDerWaalsContact O-ND2 3.14Å
221	P	96.1	Very high	94.4	Very high	6 Å²	6	24.5 Å²	24.5	4%	0.039	12%	0.12	C	C	.	.	S	Bend	cis	-65.3	162.1	-15.8	-21.7	37	0	0	0	111.6	K209 F211 H696	K209-P221 HydrophobicContact CB-CB 4.22Å; K209-P221 HydrophobicContact CD-CB 4.25Å; F211-P221 HydrophobicContact CD1-CB 4.03Å; F211-P221 HydrophobicContact CD1-CG 4.29Å; F211-P221 HydrophobicContact CE1-CB 3.61Å; F211-P221 HydrophobicContact CE1-CG 3.46Å; F211-P221 VanDerWaalsContact CE1-CG 3.46Å; F211-P221 HydrophobicContact CZ-CB 3.87Å; F211-P221 HydrophobicContact CZ-CG 3.79Å; P221-H696 WeakPolarHBondContact CG-O 3.35Å
222	N	94.7	Very high	94.4	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.011	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	128.5	-179.1	-57.9	-83.2	0	0	0	110.6	G210 G212 K218 L224 I276	G210-N222 VanDerWaalsContact C-ND2 3.34Å; G210-N222 PolarHBondContact N-O 3.48Å; G210-N222 WeakPolarHBondContact O-CB 3.32Å; G210-N222 PolarHBondContact O-N 3.38Å; G210-N222 PolarHBondContact O-ND2 3.2Å; G212-N222 PolarHBondContact O-ND2 3.3Å; K218-N222 WeakPolarHBondContact CD-OD1 3.22Å; K218-N222 WeakPolarHBondContact CE-OD1 3.5Å; K218-N222 PolarHBondContact NZ-OD1 3.15Å; N222-L224 PolarHBondContact O-N 3.07Å; N222-I276 HydrophobicContact CB-CD1 3.93Å
223	P	92.2	Very high	94.5	Very high	11 Å²	11	24.7 Å²	24.7	7%	0.071	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	125	169.2	28.5	-31.4	0	0	0	109.9	V219 N225 K226 M228 I276	V219-P223 HydrophobicContact CG1-CG 3.89Å; P223-N225 VanDerWaalsContact C-N 3.25Å; P223-N225 WeakPolarHBondContact CB-OD1 3.27Å; P223-K226 HydrophobicContact CB-CB 4.36Å; P223-K226 HydrophobicContact CB-CD 4.29Å; P223-K226 HydrophobicContact CB-CG 4.13Å; P223-K226 HydrophobicContact CG-CB 4.18Å; P223-K226 HydrophobicContact CG-CD 4.01Å; P223-K226 HydrophobicContact CG-CG 4.21Å; P223-M228 HydrophobicContact CG-SD 3.72Å; P223-I276 WeakPolarHBondContact O-CG2 3.44Å
224	L	94.3	Very high	94.6	Very high	7 Å²	7	24.7 Å²	24.7	4%	0.037	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	17.2	173.6	-56	178.5	0	0	0	112.3	V205 A207 N222 F252 I276 P280	V205-L224 HydrophobicContact CG2-CD1 4.1Å; V205-L224 HydrophobicContact CG2-CD2 4.42Å; A207-L224 HydrophobicContact CB-CD1 3.7Å; A207-L224 VanDerWaalsContact O-CD1 3.29Å; A207-L224 WeakPolarHBondContact O-CD1 3.37Å; N222-L224 PolarHBondContact O-N 3.07Å; L224-F252 HydrophobicContact CD1-CZ 4.44Å; L224-F252 HydrophobicContact CD2-CE2 4.27Å; L224-F252 HydrophobicContact CD2-CZ 4.02Å; L224-I276 HydrophobicContact CD2-CG2 3.69Å; L224-P280 HydrophobicContact CB-CB 3.9Å; L224-P280 WeakPolarHBondContact O-CA 3.22Å
225	N	92.2	Very high	94.7	Very high	114 Å²	114	25.4 Å²	25.4	61%	0.61	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.5	16.4	179.5	70.8	-28.1	0	0	0	112.3	P223	P223-N225 VanDerWaalsContact C-N 3.25Å; P223-N225 WeakPolarHBondContact CB-OD1 3.27Å
226	K	91.6	Very high	94.7	Very high	117 Å²	117	25.8 Å²	25.8	51%	0.509	13%	0.125	S	C	.	.	S	Bend	trans	-131.4	160.3	178.6	-67.7	-166.6	176.6	-169.6	0	110.2	P223 T277	P223-K226 HydrophobicContact CB-CB 4.36Å; P223-K226 HydrophobicContact CB-CD 4.29Å; P223-K226 HydrophobicContact CB-CG 4.13Å; P223-K226 HydrophobicContact CG-CB 4.18Å; P223-K226 HydrophobicContact CG-CD 4.01Å; P223-K226 HydrophobicContact CG-CG 4.21Å; K226-T277 CarbonylContact O-C 3.47Å
227	W	92.9	Very high	94.6	Very high	37 Å²	37	26.5 Å²	26.5	14%	0.14	13%	0.132	C	C	.	.			trans	-86.4	119.4	170.3	-60.3	93.8	0	0	0	110	Q36 R39 L71 P72 I276 T277 P278	Q36-W227 WeakPolarHBondContact O-CZ2 3.48Å; R39-W227 WeakPolarHBondContact O-CH2 3.44Å; L71-W227 HydrophobicContact CD1-CZ2 3.69Å; P72-W227 HydrophobicContact CG-CH2 4.44Å; P72-W227 HydrophobicContact CG-CZ3 4.33Å; W227-I276 WeakPolarHBondContact CA-O 3.28Å; W227-T277 HydrophobicContact CE3-CG2 3.74Å; W227-T277 HydrophobicContact CH2-CG2 4.33Å; W227-T277 VanDerWaalsContact CZ3-CB 3.42Å; W227-T277 HydrophobicContact CZ3-CG2 3.4Å; W227-T277 VanDerWaalsContact CZ3-CG2 3.4Å; W227-P278 VanDerWaalsContact CD2-CD 3.47Å; W227-P278 HydrophobicContact CD2-CG 4.2Å; W227-P278 VanDerWaalsContact CE2-CG 3.47Å; W227-P278 HydrophobicContact CH2-CG 4.27Å; W227-P278 VanDerWaalsContact CZ2-CD 3.46Å; W227-P278 HydrophobicContact CZ2-CG 3.51Å
228	M	92.8	Very high	94.7	Very high	22 Å²	22	29 Å²	29	11%	0.108	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	138.9	175	-63	175.2	60.8	0	0	109.3	K218 V219 P223 L230 A275 I276	K218-M228 HydrophobicContact CB-CE 4.49Å; K218-M228 HydrophobicContact CD-CE 4.36Å; V219-M228 HydrophobicContact CG1-CE 3.85Å; V219-M228 HydrophobicContact CG1-SD 4.01Å; P223-M228 HydrophobicContact CG-SD 3.72Å; M228-L230 HydrophobicContact CE-CD2 4.32Å; M228-A275 CarbonylContact O-C 3.42Å; M228-A275 WeakPolarHBondContact O-CA 3.45Å; M228-I276 HydrophobicContact CB-CB 4.31Å; M228-I276 PolarHBondContact N-O 2.91Å; M228-I276 PolarHBondContact O-N 2.91Å
229	R	93.9	Very high	94.8	Very high	64 Å²	64	28.3 Å²	28.3	24%	0.242	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.3	172.9	-69.7	179.4	60	-171	-5.1	108.2	P44 E273 A275 K503	P44-R229 VanDerWaalsContact O-CZ 3.23Å; P44-R229 PolarHBondContact O-NH1 3.08Å; P44-R229 PolarHBondContact O-NH2 2.73Å; R229-E273 IonicContact CZ-OE1 2.84Å; R229-E273 IonicContact CZ-OE2 3.73Å; R229-E273 VanDerWaalsContact NE-CD 3.33Å; R229-E273 IonicContact NE-OE1 2.85Å; R229-E273 PolarHBondContact NE-OE1 3.49Å; R229-E273 IonicContact NE-OE2 3.91Å; R229-E273 PolarHBondContact NE-OE2 2.91Å; R229-E273 IonicContact NH2-OE1 3.67Å; R229-E273 PolarHBondContact NH2-OE1 2.77Å; R229-E273 IonicContact NH2-OE2 2.71Å; R229-E273 PolarHBondContact NH2-OE2 2.9Å; R229-A275 HydrophobicContact CG-CB 4.04Å; R229-K503 HydrophobicContact CB-CD 4.08Å
230	L	95	Very high	94.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	113.2	-172.6	-60.3	179.8	0	0	0	109.1	I216 K218 M228 F232 N242 E273 V274	I216-L230 HydrophobicContact CD1-CB 3.72Å; I216-L230 HydrophobicContact CD1-CD1 4.41Å; I216-L230 HydrophobicContact CD1-CD2 4.1Å; I216-L230 HydrophobicContact CD1-CG 4.29Å; I216-L230 HydrophobicContact CG2-CD2 4.43Å; K218-L230 HydrophobicContact CD-CD1 3.69Å; K218-L230 HydrophobicContact CD-CD2 4.32Å; K218-L230 VanDerWaalsContact NZ-CD1 3.26Å; M228-L230 HydrophobicContact CE-CD2 4.32Å; L230-F232 HydrophobicContact CB-CE2 3.8Å; L230-F232 HydrophobicContact CB-CZ 3.95Å; L230-F232 WeakPolarHBondContact O-CD2 3.3Å; L230-F232 VanDerWaalsContact O-CE2 3.25Å; L230-F232 WeakPolarHBondContact O-CE2 3.47Å; L230-N242 HydrophobicContact CD2-CB 4.49Å; L230-E273 CarbonylContact O-C 3.54Å; L230-E273 VanDerWaalsContact O-CA 3.23Å; L230-E273 WeakPolarHBondContact O-CA 3.06Å; L230-E273 WeakPolarHBondContact O-CG 3.44Å; L230-V274 PolarHBondContact N-O 2.97Å; L230-V274 PolarHBondContact O-N 2.94Å
231	G	96.8	Very high	94.8	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	148.7	174.1	0	0	0	0	0	111.9	N244 Q272 K503	G231-N244 WeakPolarHBondContact O-CB 3.13Å; G231-Q272 CarbonylContact C-O 3.56Å; G231-Q272 WeakPolarHBondContact CA-O 3.13Å; G231-K503 WeakPolarHBondContact CA-O 3.36Å; G231-K503 PolarHBondContact N-O 3.19Å
232	F	98.2	Very high	94.6	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.009	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	114.2	177.9	-61.9	-85.1	0	0	0	110	P213 G214 I216 L230 T248 A271 Q272 V274	P213-F232 HydrophobicContact CB-CE1 4.1Å; P213-F232 HydrophobicContact CB-CE2 4.37Å; P213-F232 HydrophobicContact CB-CZ 3.74Å; P213-F232 HydrophobicContact CG-CE1 4.36Å; P213-F232 HydrophobicContact CG-CE2 3.93Å; P213-F232 HydrophobicContact CG-CZ 3.51Å; G214-F232 WeakPolarHBondContact O-CD1 3.46Å; G214-F232 WeakPolarHBondContact O-CE1 3.01Å; I216-F232 HydrophobicContact CD1-CD1 4.23Å; I216-F232 HydrophobicContact CD1-CE1 3.5Å; I216-F232 VanDerWaalsContact CD1-CE1 3.5Å; I216-F232 HydrophobicContact CD1-CE2 4.3Å; I216-F232 HydrophobicContact CD1-CZ 3.52Å; I216-F232 HydrophobicContact CG1-CE1 3.91Å; I216-F232 HydrophobicContact CG1-CZ 4.38Å; L230-F232 HydrophobicContact CB-CE2 3.8Å; L230-F232 HydrophobicContact CB-CZ 3.95Å; L230-F232 WeakPolarHBondContact O-CD2 3.3Å; L230-F232 VanDerWaalsContact O-CE2 3.25Å; L230-F232 WeakPolarHBondContact O-CE2 3.47Å; F232-T248 HydrophobicContact CB-CG2 3.91Å; F232-A271 WeakPolarHBondContact O-CA 3.48Å; F232-Q272 HydrophobicContact CB-CG 3.8Å; F232-Q272 HydrophobicContact CD2-CG 4.26Å; F232-Q272 HydrophobicContact CG-CG 4.42Å; F232-Q272 PolarHBondContact N-O 3.4Å; F232-Q272 PolarHBondContact O-N 2.84Å; F232-Q272 VanDerWaalsContact O-N 3.09Å; F232-V274 HydrophobicContact CD2-CG2 4.28Å; F232-V274 HydrophobicContact CE2-CB 3.96Å; F232-V274 HydrophobicContact CE2-CG2 3.82Å
233	W	98.4	Very high	94.7	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.011	19%	0.192	C	C	.	.			trans	-165	116.6	176.2	-172.1	-115.8	0	0	0	106.3	H235 N244 A271 I504 L509 H529 N530	W233-H235 PolarHBondContact O-N 3.39Å; W233-N244 WeakPolarHBondContact O-CB 3.23Å; W233-N244 PolarHBondContact O-ND2 3.27Å; W233-A271 HydrophobicContact CB-CB 4.38Å; W233-A271 HydrophobicContact CD2-CB 3.8Å; W233-A271 HydrophobicContact CE3-CB 3.27Å; W233-A271 HydrophobicContact CG-CB 4.31Å; W233-A271 HydrophobicContact CZ3-CB 3.73Å; W233-I504 HydrophobicContact CB-CB 4.47Å; W233-I504 HydrophobicContact CB-CD1 4.22Å; W233-I504 HydrophobicContact CB-CG2 3.72Å; W233-I504 HydrophobicContact CG-CD1 4.2Å; W233-L509 HydrophobicContact CD2-CD2 4.45Å; W233-L509 HydrophobicContact CZ2-CB 4.35Å; W233-L509 PolarHBondContact NE1-O 2.92Å; W233-H529 AromaticContact CD1-NE2 3.63Å; W233-H529 AromaticContact CD2-CD2 3.19Å; W233-H529 AromaticContact CD2-CG 3.97Å; W233-H529 AromaticContact CD2-NE2 3.48Å; W233-H529 AromaticContact CE2-CD2 3.16Å; W233-H529 AromaticContact CE2-CE1 3.74Å; W233-H529 AromaticContact CE2-CG 3.51Å; W233-H529 AromaticContact CE2-ND1 3.84Å; W233-H529 AromaticContact CE2-NE2 3.31Å; W233-H529 VanDerWaalsContact CE2-NE2 3.31Å; W233-H529 HydrophobicContact CE3-CB 4.3Å; W233-H529 AromaticContact CE3-CD2 3.33Å; W233-H529 AromaticContact CG-CD2 3.92Å; W233-H529 AromaticContact CG-NE2 3.74Å; W233-H529 HydrophobicContact CH2-CB 3.11Å; W233-H529 AromaticContact CH2-CD2 3.55Å; W233-H529 AromaticContact CH2-CG 3.34Å; W233-H529 HydrophobicContact CZ2-CB 3.51Å; W233-H529 AromaticContact CZ2-CD2 3.37Å; W233-H529 WeakPolarHBondContact CZ2-CD2 3.49Å; W233-H529 AromaticContact CZ2-CE1 4Å; W233-H529 AromaticContact CZ2-CG 3.19Å; W233-H529 AromaticContact CZ2-ND1 3.62Å; W233-H529 AromaticContact CZ2-NE2 3.86Å; W233-H529 HydrophobicContact CZ3-CB 3.55Å; W233-H529 AromaticContact CZ3-CD2 3.51Å; W233-H529 AromaticContact CZ3-CG 3.73Å; W233-H529 AromaticContact NE1-CD2 3.76Å; W233-H529 AromaticContact NE1-CE1 3.66Å; W233-H529 AromaticContact NE1-NE2 3.36Å; W233-H529 PolarHBondContact NE1-NE2 2.89Å; W233-N530 WeakPolarHBondContact CA-OD1 3.39Å
234	S	98.6	Very high	94.9	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	19%	0.19	C	C	.	.			trans	-53.8	121.6	-174.8	-75.5	0	0	0	0	111.4	L245 Y246 H529 N530 S559	S234-L245 CarbonylContact C-O 3.5Å; S234-L245 WeakPolarHBondContact CA-O 3.1Å; S234-Y246 WeakPolarHBondContact CB-O 3.36Å; S234-Y246 PolarHBondContact OG-O 3.42Å; S234-H529 PolarHBondContact N-NE2 2.65Å; S234-H529 PolarHBondContact O-CE1 3.03Å; S234-H529 VanDerWaalsContact O-CE1 3.27Å; S234-H529 PolarHBondContact O-NE2 3.46Å; S234-N530 PolarHBondContact N-OD1 2.02Å; S234-N530 PolarHBondContact OG-OD1 3.09Å; S234-S559 PolarHBondContact OG-OG 3.01Å
235	H	98.3	Very high	95.1	Very high	16 Å²	16	36.7 Å²	36.7	7%	0.074	19%	0.189	C	C	.	.			trans	-141.5	129	-167.5	-178.5	85.5	0	0	0	111.8	W233 G237 N244 L245 Y246 D511	W233-H235 PolarHBondContact O-N 3.39Å; H235-G237 PolarHBondContact O-N 3.4Å; H235-N244 VanDerWaalsContact CB-ND2 3.27Å; H235-N244 WeakPolarHBondContact CB-ND2 3.27Å; H235-L245 PolarHBondContact N-O 3.15Å; H235-L245 CarbonylContact O-C 3.56Å; H235-Y246 WeakPolarHBondContact O-CD1 3.48Å; H235-D511 IonicContact CE1-OD2 2.73Å; H235-D511 PolarHBondContact CE1-OD2 3.23Å
236	D	98	Very high	95.4	Very high	9 Å²	9	31.3 Å²	31.3	5%	0.048	16%	0.16	C	C	.	.			trans	-79.7	113.5	174.6	173	39.9	0	0	0	110.5	A479 K512 R558	D236-A479 HydrophobicContact CB-CB 3.65Å; D236-K512 WeakPolarHBondContact O-CE 3.32Å; D236-K512 WeakPolarHBondContact OD2-CE 3.31Å; D236-K512 IonicContact OD2-NZ 3.36Å; D236-K512 PolarHBondContact OD2-NZ 3.04Å; D236-R558 VanDerWaalsContact CG-NH2 3.26Å; D236-R558 IonicContact OD1-CZ 2.7Å; D236-R558 IonicContact OD1-NH1 3.95Å; D236-R558 IonicContact OD1-NH2 3.15Å; D236-R558 PolarHBondContact OD1-NH2 3Å
237	G	93.4	Very high	95.7	Very high	15 Å²	15	25.8 Å²	25.8	16%	0.155	14%	0.137	C	C	.	.	S	Bend	trans	-175.1	168.8	173.8	0	0	0	0	0	112.6	H235 Y246	H235-G237 PolarHBondContact O-N 3.4Å; G237-Y246 WeakPolarHBondContact O-CE1 3.37Å; G237-Y246 PolarHBondContact O-OH 2.86Å
238	I	94.1	Very high	96	Very high	72 Å²	72	24.1 Å²	24.1	37%	0.369	13%	0.13	S	C	.	.	S	Bend	trans	-63	132.8	170.6	-62.9	168.7	0	0	0	108	Q240 L576 T608	I238-Q240 PolarHBondContact O-N 3.32Å; I238-L576 HydrophobicContact CG2-CD1 4.48Å; I238-L576 HydrophobicContact CG2-CD2 3.68Å; I238-L576 HydrophobicContact CG2-CG 3.91Å; I238-T608 HydrophobicContact CD1-CG2 4.1Å
239	P	94.7	Very high	96.2	Very high	9 Å²	9	23 Å²	23	6%	0.058	13%	0.125	C	C	.	.			trans	-53.2	130.7	178.4	-28.7	37.5	0	0	0	112.8	E217 L245 Y246 D574 V575	E217-P239 HydrophobicContact CG-CB 4.09Å; E217-P239 WeakPolarHBondContact OE1-CB 3.39Å; P239-L245 HydrophobicContact CB-CD1 4.23Å; P239-L245 HydrophobicContact CB-CD2 4.31Å; P239-Y246 WeakPolarHBondContact CD-OH 3.19Å; P239-Y246 HydrophobicContact CG-CE2 4.44Å; P239-Y246 WeakPolarHBondContact CG-OH 3.4Å; P239-D574 WeakPolarHBondContact CD-O 3.45Å; P239-V575 HydrophobicContact CG-CG1 4.16Å
240	Q	92.2	Very high	96.4	Very high	95 Å²	95	20.1 Å²	20.1	44%	0.444	11%	0.114	S	C	.	.			trans	-131.1	142.5	-179.6	-75.6	174.5	62	0	0	110.5	I238 N242 S243	I238-Q240 PolarHBondContact O-N 3.32Å; Q240-N242 PolarHBondContact O-N 3.06Å; Q240-S243 PolarHBondContact O-N 2.75Å
241	P	92.4	Very high	96.5	Very high	96 Å²	96	20.1 Å²	20.1	62%	0.623	11%	0.114	S	C	*	.	B	Isolated β-bridge	trans	-57.7	128.7	178.5	-27	34.9	0	0	0	113.6	E217 S243	E217-P241 CarbonylContact O-C 3.55Å; E217-P241 WeakPolarHBondContact O-CA 3.29Å; P241-S243 VanDerWaalsContact C-N 3.25Å; P241-S243 PolarHBondContact O-N 2.92Å
242	N	93.1	Very high	96.6	Very high	74 Å²	74	20.1 Å²	20.1	40%	0.396	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	22.3	178.7	-49.7	-70.2	0	0	0	115.5	E217 L230 Q240	E217-N242 PolarHBondContact O-N 2.74Å; L230-N242 HydrophobicContact CD2-CB 4.49Å; Q240-N242 PolarHBondContact O-N 3.06Å
243	S	95.3	Very high	96.6	Very high	17 Å²	17	20 Å²	20	12%	0.119	11%	0.113	C	C	.	.			trans	-105.6	149.4	177	-64.9	0	0	0	0	111.6	Q240 P241 L505	Q240-S243 PolarHBondContact O-N 2.75Å; P241-S243 VanDerWaalsContact C-N 3.25Å; P241-S243 PolarHBondContact O-N 2.92Å; S243-L505 WeakPolarHBondContact OG-CD2 3.36Å
244	N	97.5	Very high	96.6	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.011	11%	0.113	C	C	.	.			trans	-63	137.6	168.9	55	-61.3	0	0	0	110.6	G231 W233 H235 I504 L505	G231-N244 WeakPolarHBondContact O-CB 3.13Å; W233-N244 WeakPolarHBondContact O-CB 3.23Å; W233-N244 PolarHBondContact O-ND2 3.27Å; H235-N244 VanDerWaalsContact CB-ND2 3.27Å; H235-N244 WeakPolarHBondContact CB-ND2 3.27Å; N244-I504 HydrophobicContact CB-CG2 4.45Å; N244-I504 WeakPolarHBondContact OD1-CA 3.36Å; N244-I504 WeakPolarHBondContact OD1-CB 3.49Å; N244-L505 PolarHBondContact OD1-N 3.26Å
245	L	97.9	Very high	96.6	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.026	11%	0.113	C	C	.	.			trans	-120.6	-149.2	-179.7	-56.2	179	0	0	0	110.1	E215 E217 S234 H235 P239	E215-L245 HydrophobicContact CB-CB 4.41Å; E215-L245 HydrophobicContact CG-CB 4.05Å; E215-L245 HydrophobicContact CG-CD1 4.17Å; E215-L245 PolarHBondContact O-N 2.74Å; E217-L245 HydrophobicContact CG-CD1 4.1Å; S234-L245 CarbonylContact C-O 3.5Å; S234-L245 WeakPolarHBondContact CA-O 3.1Å; H235-L245 PolarHBondContact N-O 3.15Å; H235-L245 CarbonylContact O-C 3.56Å; P239-L245 HydrophobicContact CB-CD1 4.23Å; P239-L245 HydrophobicContact CB-CD2 4.31Å
246	Y	98.5	Very high	96.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-71.5	-41.4	-167	-37.6	-72.7	0	0	0	113.5	E215 S234 H235 G237 P239 E477 R558 S559 G573 D574	E215-Y246 WeakPolarHBondContact OE1-CD2 3.38Å; E215-Y246 PolarHBondContact OE2-N 3.5Å; S234-Y246 WeakPolarHBondContact CB-O 3.36Å; S234-Y246 PolarHBondContact OG-O 3.42Å; H235-Y246 WeakPolarHBondContact O-CD1 3.48Å; G237-Y246 WeakPolarHBondContact O-CE1 3.37Å; G237-Y246 PolarHBondContact O-OH 2.86Å; P239-Y246 WeakPolarHBondContact CD-OH 3.19Å; P239-Y246 HydrophobicContact CG-CE2 4.44Å; P239-Y246 WeakPolarHBondContact CG-OH 3.4Å; Y246-E477 WeakPolarHBondContact CD1-OE1 3.4Å; Y246-R558 HydrophobicContact CD1-CG 3.76Å; Y246-R558 HydrophobicContact CD2-CG 4.17Å; Y246-R558 HydrophobicContact CE1-CG 4.35Å; Y246-R558 HydrophobicContact CG-CG 3.65Å; Y246-S559 WeakPolarHBondContact O-CA 3.46Å; Y246-S559 WeakPolarHBondContact O-CB 3.44Å; Y246-S559 PolarHBondContact O-OG 3.05Å; Y246-G573 VanDerWaalsContact CE2-CA 3.48Å; Y246-D574 PolarHBondContact OH-N 3.12Å
247	G	98.3	Very high	96.3	Very high	2 Å²	2	27.6 Å²	27.6	2%	0.021	14%	0.143	C	C	.	.			trans	-105.2	155.9	-177.6	0	0	0	0	0	115.6	E215 S560	E215-G247 WeakPolarHBondContact CB-O 3.49Å; E215-G247 PolarHBondContact N-O 2.98Å; E215-G247 PolarHBondContact OE2-N 2.86Å; G247-S560 CarbonylContact C-O 3.57Å; G247-S560 WeakPolarHBondContact CA-O 3.37Å
248	T	98.3	Very high	96.4	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-123.1	110.5	174.1	-66.3	0	0	0	0	111	F232 N250 N530 S560 F561	F232-T248 HydrophobicContact CB-CG2 3.91Å; T248-N250 VanDerWaalsContact CG2-OD1 3.31Å; T248-N250 WeakPolarHBondContact CG2-OD1 3.43Å; T248-N530 PolarHBondContact OG1-OD1 3Å; T248-S560 PolarHBondContact N-O 3.28Å; T248-F561 HydrophobicContact CG2-CD2 4.29Å; T248-F561 HydrophobicContact CG2-CE2 4Å; T248-F561 WeakPolarHBondContact O-CD2 3.34Å
249	H	98.3	Very high	96.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-127.2	95	-174.9	-65.4	-78.5	0	0	0	110.8	P213 G214 F251 S560 F561 F592 F595	P213-H249 VanDerWaalsContact CA-O 3.28Å; P213-H249 WeakPolarHBondContact CA-O 3.32Å; P213-H249 WeakPolarHBondContact CB-O 3.5Å; G214-H249 PolarHBondContact N-O 3.43Å; G214-H249 VanDerWaalsContact N-O 3.09Å; G214-H249 WeakPolarHBondContact O-CA 3.42Å; G214-H249 PolarHBondContact O-N 2.9Å; H249-F251 PolarHBondContact O-N 2.83Å; H249-S560 PolarHBondContact NE2-OG 3.31Å; H249-F561 PolarHBondContact CE1-O 2.99Å; H249-F592 AromaticContact NE2-CE1 3.66Å; H249-F595 HydrophobicContact CB-CB 4.41Å; H249-F595 HydrophobicContact CB-CD1 3.8Å; H249-F595 HydrophobicContact CB-CD2 3.8Å; H249-F595 HydrophobicContact CB-CE1 3.91Å; H249-F595 HydrophobicContact CB-CE2 3.93Å; H249-F595 HydrophobicContact CB-CG 3.76Å; H249-F595 HydrophobicContact CB-CZ 4Å; H249-F595 AromaticContact CD2-CD2 3.79Å; H249-F595 AromaticContact CG-CD2 3.64Å; H249-F595 AromaticContact CG-CG 3.74Å; H249-F595 AromaticContact ND1-CG 3.98Å
250	N	97.2	Very high	96.6	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.011	15%	0.147	C	C	.	.			trans	-86.4	33.8	-171.3	-48.5	-38.7	0	0	0	113.9	T248 F265 F266 N268 Q272	T248-N250 VanDerWaalsContact CG2-OD1 3.31Å; T248-N250 WeakPolarHBondContact CG2-OD1 3.43Å; N250-F265 HydrophobicContact CB-CD2 4.44Å; N250-F265 HydrophobicContact CB-CE2 4.35Å; N250-F265 WeakPolarHBondContact O-CA 3.15Å; N250-F266 HydrophobicContact CB-CB 4.02Å; N250-F266 WeakPolarHBondContact CB-O 3.42Å; N250-F266 PolarHBondContact ND2-O 3.39Å; N250-F266 PolarHBondContact O-N 2.82Å; N250-N268 PolarHBondContact ND2-O 2.88Å; N250-Q272 PolarHBondContact ND2-NE2 3.4Å; N250-Q272 PolarHBondContact OD1-NE2 3.15Å
251	F	98.3	Very high	96.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.5	177.2	177.1	-107.2	0	0	0	110.2	G212 P213 H249 M253 F265 F296 V304 Y308 M594	G212-F251 WeakPolarHBondContact CA-O 3.27Å; P213-F251 WeakPolarHBondContact CA-O 3.32Å; H249-F251 PolarHBondContact O-N 2.83Å; F251-M253 HydrophobicContact CE1-CB 4.04Å; F251-M253 HydrophobicContact CZ-CB 4.18Å; F251-F265 HydrophobicContact CB-CD2 4.29Å; F251-F265 HydrophobicContact CD2-CB 4.07Å; F251-F296 HydrophobicContact CD2-CD2 4.46Å; F251-F296 HydrophobicContact CD2-CE2 4.13Å; F251-F296 AromaticContact CE2-CD2 3.74Å; F251-F296 HydrophobicContact CE2-CD2 3.74Å; F251-F296 AromaticContact CE2-CE2 3.81Å; F251-F296 HydrophobicContact CE2-CE2 3.81Å; F251-V304 HydrophobicContact CE2-CG1 4.46Å; F251-V304 HydrophobicContact CZ-CG1 3.9Å; F251-Y308 HydrophobicContact CB-CE1 4.23Å; F251-Y308 HydrophobicContact CB-CE2 4.2Å; F251-Y308 HydrophobicContact CD1-CD1 4.3Å; F251-Y308 HydrophobicContact CD1-CE1 4.44Å; F251-Y308 HydrophobicContact CD2-CD1 4.27Å; F251-Y308 AromaticContact CD2-CD2 3.78Å; F251-Y308 HydrophobicContact CD2-CD2 3.78Å; F251-Y308 HydrophobicContact CD2-CE2 4.08Å; F251-Y308 AromaticContact CD2-CG 3.88Å; F251-Y308 HydrophobicContact CD2-CG 3.88Å; F251-Y308 HydrophobicContact CE1-CD1 4.49Å; F251-Y308 HydrophobicContact CE2-CD1 4.44Å; F251-Y308 HydrophobicContact CE2-CD2 4.13Å; F251-Y308 AromaticContact CE2-CG 3.9Å; F251-Y308 HydrophobicContact CE2-CG 3.9Å; F251-Y308 HydrophobicContact CG-CD1 4.17Å; F251-Y308 HydrophobicContact CG-CD2 4.31Å; F251-Y308 HydrophobicContact CG-CE1 4.16Å; F251-Y308 HydrophobicContact CG-CE2 4.29Å; F251-Y308 HydrophobicContact CG-CG 4.25Å; F251-Y308 HydrophobicContact CZ-CG 4.32Å; F251-M594 HydrophobicContact CD1-CE 4.05Å; F251-M594 HydrophobicContact CD1-CG 3.99Å; F251-M594 HydrophobicContact CD1-SD 4.1Å; F251-M594 HydrophobicContact CE1-CE 4.42Å; F251-M594 HydrophobicContact CE1-CG 3.7Å; F251-M594 HydrophobicContact CE1-SD 3.86Å
252	F	98.1	Very high	97.2	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.3	173.2	174.7	-87.9	0	0	0	110	V205 G210 F211 L224 G263 I264 I282	V205-F252 HydrophobicContact CG1-CE1 4.31Å; G210-F252 VanDerWaalsContact CA-CE2 3.46Å; G210-F252 VanDerWaalsContact CA-CZ 3.4Å; F211-F252 CarbonylContact O-C 3.54Å; F211-F252 VanDerWaalsContact O-CA 3.32Å; F211-F252 WeakPolarHBondContact O-CA 3.12Å; F211-F252 WeakPolarHBondContact O-CD2 3.44Å; L224-F252 HydrophobicContact CD1-CZ 4.44Å; L224-F252 HydrophobicContact CD2-CE2 4.27Å; L224-F252 HydrophobicContact CD2-CZ 4.02Å; F252-G263 CarbonylContact O-C 3.35Å; F252-G263 VanDerWaalsContact O-CA 3.32Å; F252-G263 WeakPolarHBondContact O-CA 3.39Å; F252-I264 HydrophobicContact CB-CG2 3.95Å; F252-I264 HydrophobicContact CD1-CG2 4.03Å; F252-I264 HydrophobicContact CG-CG2 4.45Å; F252-I264 PolarHBondContact N-O 2.89Å; F252-I264 PolarHBondContact O-N 3.39Å; F252-I282 HydrophobicContact CB-CD1 4.41Å; F252-I282 HydrophobicContact CD1-CD1 3.46Å; F252-I282 VanDerWaalsContact CD1-CD1 3.46Å; F252-I282 HydrophobicContact CD2-CD1 3.55Å; F252-I282 HydrophobicContact CE1-CD1 3.44Å; F252-I282 VanDerWaalsContact CE1-CD1 3.44Å; F252-I282 HydrophobicContact CE2-CD1 3.51Å; F252-I282 HydrophobicContact CG-CD1 3.52Å; F252-I282 HydrophobicContact CZ-CD1 3.47Å; F252-I282 VanDerWaalsContact CZ-CD1 3.47Å
253	M	98.4	Very high	97.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.6	171.5	179.7	174.6	62.9	0	0	110.4	G210 F211 F251 A261 F262 P301 V304 I305 M594 F687	G210-M253 CarbonylContact C-O 3.54Å; G210-M253 WeakPolarHBondContact CA-O 3.16Å; F211-M253 HydrophobicContact CB-CB 4.37Å; F211-M253 HydrophobicContact CB-CE 4.22Å; F211-M253 HydrophobicContact CD2-CE 3.85Å; F211-M253 HydrophobicContact CG-CE 4.1Å; F211-M253 PolarHBondContact N-O 2.93Å; F211-M253 PolarHBondContact O-N 3.01Å; F251-M253 HydrophobicContact CE1-CB 4.04Å; F251-M253 HydrophobicContact CZ-CB 4.18Å; M253-A261 HydrophobicContact CG-CB 4.23Å; M253-A261 HydrophobicContact SD-CB 4.28Å; M253-F262 CarbonylContact C-O 3.52Å; M253-F262 VanDerWaalsContact CA-O 3.31Å; M253-F262 WeakPolarHBondContact CA-O 3.49Å; M253-F262 WeakPolarHBondContact CG-O 3.39Å; M253-P301 HydrophobicContact CE-CB 3.98Å; M253-P301 HydrophobicContact SD-CB 3.85Å; M253-V304 HydrophobicContact CG-CG1 4.2Å; M253-V304 HydrophobicContact SD-CB 4.04Å; M253-V304 HydrophobicContact SD-CG1 4.16Å; M253-I305 HydrophobicContact CE-CD1 4.41Å; M253-I305 HydrophobicContact SD-CG1 4.38Å; M253-M594 HydrophobicContact CB-SD 4.29Å; M253-M594 HydrophobicContact CE-SD 4.06Å; M253-F687 HydrophobicContact CE-CD1 3.83Å; M253-F687 HydrophobicContact CE-CE1 3.24Å; M253-F687 HydrophobicContact CE-CE2 4.26Å; M253-F687 HydrophobicContact CE-CZ 3.5Å
254	G	98.1	Very high	97.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.8	172.6	0	0	0	0	0	110.8	A261 F262	G254-A261 CarbonylContact O-C 3.52Å; G254-A261 WeakPolarHBondContact O-CA 3.29Å; G254-A261 WeakPolarHBondContact O-CB 3.43Å; G254-F262 PolarHBondContact N-O 2.67Å; G254-F262 PolarHBondContact O-N 2.83Å
255	L	97.9	Very high	97.6	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.4	174.4	-179.7	62.5	0	0	0	109.7	A207 Q208 K209 F211 A261 P301 A686 P690 H696	A207-L255 CarbonylContact C-O 3.5Å; A207-L255 WeakPolarHBondContact CA-O 3.29Å; A207-L255 VanDerWaalsContact CB-O 3.27Å; A207-L255 WeakPolarHBondContact CB-O 3.5Å; Q208-L255 PolarHBondContact N-O 3.01Å; Q208-L255 VanDerWaalsContact NE2-C 3.28Å; Q208-L255 PolarHBondContact NE2-O 3.08Å; Q208-L255 PolarHBondContact OE1-O 2.77Å; K209-L255 PolarHBondContact N-O 2.91Å; K209-L255 PolarHBondContact O-N 3.06Å; F211-L255 HydrophobicContact CE2-CB 3.82Å; F211-L255 HydrophobicContact CE2-CD2 3.95Å; F211-L255 HydrophobicContact CZ-CD2 4.18Å; L255-A261 HydrophobicContact CD1-CB 4.16Å; L255-P301 HydrophobicContact CD1-CG 3.86Å; L255-A686 HydrophobicContact CD2-CB 3.99Å; L255-P690 HydrophobicContact CD1-CB 4.28Å; L255-H696 HydrophobicContact CD2-CB 4.42Å
256	K	96.2	Very high	97.7	Very high	20 Å²	20	15 Å²	15	9%	0.087	7%	0.07	C	C	.	.			trans	-100.2	161.8	178.8	-65.5	-171.4	71.6	-144.3	0	112.1	D179 N206 Q208 D258 G259 T260 H696	D179-K256 IonicContact OD1-NZ 3.15Å; D179-K256 PolarHBondContact OD1-NZ 3.43Å; D179-K256 IonicContact OD2-NZ 2.81Å; D179-K256 PolarHBondContact OD2-NZ 3.4Å; N206-K256 WeakPolarHBondContact O-CD 3.48Å; N206-K256 WeakPolarHBondContact O-CG 3.32Å; Q208-K256 PolarHBondContact NE2-O 2.86Å; Q208-K256 PolarHBondContact OE1-O 3.46Å; K256-D258 VanDerWaalsContact CB-OD1 3.25Å; K256-D258 WeakPolarHBondContact CB-OD1 3.26Å; K256-D258 IonicContact NZ-OD2 2.75Å; K256-D258 PolarHBondContact O-N 3.02Å; K256-G259 PolarHBondContact O-N 3.26Å; K256-G259 VanDerWaalsContact O-N 3.07Å; K256-T260 VanDerWaalsContact CB-O 3.27Å; K256-T260 WeakPolarHBondContact CB-O 3.31Å; K256-T260 PolarHBondContact N-O 2.7Å; K256-H696 PolarHBondContact O-CE1 3Å
257	Y	94.6	Very high	97.7	Very high	168 Å²	168	15.3 Å²	15.3	66%	0.659	7%	0.072	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-24.9	-177.3	-76.6	-76.6	0	0	0	112.3	Q208 G259 L693	Q208-Y257 HydrophobicContact CB-CD1 4.43Å; Q208-Y257 HydrophobicContact CB-CD2 4.11Å; Q208-Y257 HydrophobicContact CB-CE1 3.96Å; Q208-Y257 HydrophobicContact CB-CE2 3.6Å; Q208-Y257 HydrophobicContact CB-CG 4.5Å; Q208-Y257 HydrophobicContact CG-CD1 4Å; Q208-Y257 HydrophobicContact CG-CD2 4.36Å; Q208-Y257 HydrophobicContact CG-CE1 3.84Å; Q208-Y257 HydrophobicContact CG-CE2 4.21Å; Q208-Y257 HydrophobicContact CG-CG 4.26Å; Y257-G259 VanDerWaalsContact C-N 3.26Å; Y257-G259 PolarHBondContact O-N 3.44Å; Y257-L693 HydrophobicContact CD1-CD2 3.8Å; Y257-L693 WeakPolarHBondContact O-CD2 3.45Å
258	D	94.5	Very high	97.7	Very high	84 Å²	84	15.3 Å²	15.3	45%	0.449	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	4.6	177.5	60.3	9.9	0	0	0	113.4	K256 T260	K256-D258 VanDerWaalsContact CB-OD1 3.25Å; K256-D258 WeakPolarHBondContact CB-OD1 3.26Å; K256-D258 IonicContact NZ-OD2 2.75Å; K256-D258 PolarHBondContact O-N 3.02Å; D258-T260 VanDerWaalsContact C-N 3.27Å; D258-T260 PolarHBondContact O-N 3.24Å; D258-T260 WeakPolarHBondContact OD1-CB 3.29Å; D258-T260 PolarHBondContact OD1-N 2.98Å; D258-T260 PolarHBondContact OD1-OG1 2.98Å
259	G	96.4	Very high	97.7	Very high	3 Å²	3	15.2 Å²	15.2	3%	0.031	7%	0.071	C	C	.	.	S	Bend	trans	81.3	-1.2	-177.3	0	0	0	0	0	114.8	K256 Y257 P690	K256-G259 PolarHBondContact O-N 3.26Å; K256-G259 VanDerWaalsContact O-N 3.07Å; Y257-G259 VanDerWaalsContact C-N 3.26Å; Y257-G259 PolarHBondContact O-N 3.44Å; G259-P690 WeakPolarHBondContact CA-O 3.4Å; G259-P690 WeakPolarHBondContact O-CB 3.31Å
260	T	97.1	Very high	97.7	Very high	32 Å²	32	15.2 Å²	15.2	20%	0.196	7%	0.071	C	C	.	.			trans	-76.7	149.8	171.6	66.5	0	0	0	0	111.1	K256 D258 P299	K256-T260 VanDerWaalsContact CB-O 3.27Å; K256-T260 WeakPolarHBondContact CB-O 3.31Å; K256-T260 PolarHBondContact N-O 2.7Å; D258-T260 VanDerWaalsContact C-N 3.27Å; D258-T260 PolarHBondContact O-N 3.24Å; D258-T260 WeakPolarHBondContact OD1-CB 3.29Å; D258-T260 PolarHBondContact OD1-N 2.98Å; D258-T260 PolarHBondContact OD1-OG1 2.98Å; T260-P299 CarbonylContact C-O 3.59Å; T260-P299 WeakPolarHBondContact CA-O 3.28Å; T260-P299 HydrophobicContact CG2-CB 4.42Å
261	A	98.2	Very high	97.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	155.6	-177.7	0	0	0	0	0	111.6	R173 M253 G254 L255 P299 P301 V304	R173-A261 VanDerWaalsContact NH2-C 3.26Å; R173-A261 PolarHBondContact NH2-O 3.11Å; M253-A261 HydrophobicContact CG-CB 4.23Å; M253-A261 HydrophobicContact SD-CB 4.28Å; G254-A261 CarbonylContact O-C 3.52Å; G254-A261 WeakPolarHBondContact O-CA 3.29Å; G254-A261 WeakPolarHBondContact O-CB 3.43Å; L255-A261 HydrophobicContact CD1-CB 4.16Å; A261-P299 PolarHBondContact N-O 2.96Å; A261-P301 HydrophobicContact CB-CB 4.38Å; A261-P301 HydrophobicContact CB-CG 3.88Å; A261-V304 HydrophobicContact CB-CG2 4.01Å; A261-V304 VanDerWaalsContact O-CG2 3.31Å; A261-V304 WeakPolarHBondContact O-CG2 3.49Å
262	F	98.5	Very high	97.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	159.2	171.9	68.7	-87.9	0	0	0	109.3	I181 L182 V205 A207 M253 G254 F296	I181-F262 HydrophobicContact CB-CB 4.2Å; I181-F262 HydrophobicContact CB-CD1 3.75Å; I181-F262 HydrophobicContact CB-CD2 4.25Å; I181-F262 HydrophobicContact CB-CE1 4.15Å; I181-F262 HydrophobicContact CB-CG 3.79Å; I181-F262 HydrophobicContact CD1-CB 3.88Å; I181-F262 HydrophobicContact CD1-CD2 4.43Å; I181-F262 HydrophobicContact CD1-CG 4.19Å; I181-F262 HydrophobicContact CG2-CB 4.17Å; I181-F262 HydrophobicContact CG2-CD1 3.85Å; I181-F262 HydrophobicContact CG2-CG 4.1Å; I181-F262 WeakPolarHBondContact O-CZ 3.26Å; L182-F262 HydrophobicContact CD2-CE2 3.68Å; L182-F262 HydrophobicContact CD2-CZ 4.2Å; L182-F262 HydrophobicContact CG-CD2 4.4Å; L182-F262 HydrophobicContact CG-CE2 3.98Å; V205-F262 HydrophobicContact CB-CZ 3.98Å; V205-F262 HydrophobicContact CG1-CE2 4.42Å; V205-F262 HydrophobicContact CG1-CZ 4.1Å; A207-F262 HydrophobicContact CB-CE1 4.19Å; M253-F262 CarbonylContact C-O 3.52Å; M253-F262 VanDerWaalsContact CA-O 3.31Å; M253-F262 WeakPolarHBondContact CA-O 3.49Å; M253-F262 WeakPolarHBondContact CG-O 3.39Å; G254-F262 PolarHBondContact N-O 2.67Å; G254-F262 PolarHBondContact O-N 2.83Å; F262-F296 CarbonylContact C-O 3.58Å; F262-F296 VanDerWaalsContact CA-O 3.29Å; F262-F296 WeakPolarHBondContact CA-O 3.47Å; F262-F296 WeakPolarHBondContact CB-O 3.28Å
263	G	98.6	Very high	97.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	149.6	176.9	0	0	0	0	0	111.6	F252 V295 F296 V304	F252-G263 CarbonylContact O-C 3.35Å; F252-G263 VanDerWaalsContact O-CA 3.32Å; F252-G263 WeakPolarHBondContact O-CA 3.39Å; G263-V295 CarbonylContact O-C 3.29Å; G263-V295 WeakPolarHBondContact O-CA 3.48Å; G263-F296 PolarHBondContact N-O 3.41Å; G263-F296 PolarHBondContact O-N 2.96Å; G263-V304 VanDerWaalsContact N-CG1 3.29Å
264	I	98.5	Very high	97.6	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	124.9	165.7	-176.3	173.6	0	0	0	108.8	L182 F203 F252 Y284 F293 F294 V295	L182-I264 HydrophobicContact CD1-CB 4.35Å; L182-I264 HydrophobicContact CD1-CD1 3.95Å; F203-I264 HydrophobicContact CD2-CD1 4.18Å; F203-I264 HydrophobicContact CE2-CD1 4.18Å; F252-I264 HydrophobicContact CB-CG2 3.95Å; F252-I264 HydrophobicContact CD1-CG2 4.03Å; F252-I264 HydrophobicContact CG-CG2 4.45Å; F252-I264 PolarHBondContact N-O 2.89Å; F252-I264 PolarHBondContact O-N 3.39Å; I264-Y284 HydrophobicContact CD1-CE2 4.22Å; I264-Y284 VanDerWaalsContact CG2-OH 3.29Å; I264-Y284 WeakPolarHBondContact CG2-OH 3.35Å; I264-F293 HydrophobicContact CD1-CB 4.42Å; I264-F293 HydrophobicContact CD1-CD1 3.71Å; I264-F293 HydrophobicContact CD1-CE1 4.29Å; I264-F293 HydrophobicContact CD1-CG 4.27Å; I264-F293 HydrophobicContact CG1-CB 4.39Å; I264-F293 HydrophobicContact CG1-CD1 3.94Å; I264-F294 CarbonylContact C-O 3.48Å; I264-F294 VanDerWaalsContact CA-O 3.26Å; I264-F294 WeakPolarHBondContact CA-O 3.32Å; I264-V295 HydrophobicContact CG1-CG2 4.37Å
265	F	98.7	Very high	97.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.5	174.7	171.9	-127.4	0	0	0	109.7	N250 F251 L267 F293 F294 F296 Y308 L311 I312 A562	N250-F265 HydrophobicContact CB-CD2 4.44Å; N250-F265 HydrophobicContact CB-CE2 4.35Å; N250-F265 WeakPolarHBondContact O-CA 3.15Å; F251-F265 HydrophobicContact CB-CD2 4.29Å; F251-F265 HydrophobicContact CD2-CB 4.07Å; F265-L267 HydrophobicContact CD1-CB 4.46Å; F265-L267 HydrophobicContact CE1-CB 3.85Å; F265-L267 HydrophobicContact CE1-CD1 4Å; F265-L267 HydrophobicContact CE1-CG 4.43Å; F265-L267 HydrophobicContact CZ-CB 4.22Å; F265-L267 HydrophobicContact CZ-CD1 3.94Å; F265-F293 CarbonylContact O-C 3.44Å; F265-F293 VanDerWaalsContact O-CA 3.28Å; F265-F293 WeakPolarHBondContact O-CA 3.31Å; F265-F294 HydrophobicContact CB-CB 4.32Å; F265-F294 AromaticContact CD1-CD2 3.77Å; F265-F294 HydrophobicContact CD1-CD2 3.77Å; F265-F294 HydrophobicContact CD1-CE2 4.39Å; F265-F294 HydrophobicContact CD1-CG 4.42Å; F265-F294 HydrophobicContact CE1-CD2 4.4Å; F265-F294 PolarHBondContact N-O 2.84Å; F265-F294 PolarHBondContact O-N 3.08Å; F265-F296 HydrophobicContact CB-CE2 3.73Å; F265-F296 HydrophobicContact CB-CZ 4.23Å; F265-Y308 HydrophobicContact CB-CD2 4.27Å; F265-Y308 HydrophobicContact CB-CE2 4.08Å; F265-Y308 HydrophobicContact CD1-CE2 4.07Å; F265-Y308 AromaticContact CD2-CE2 3.83Å; F265-Y308 HydrophobicContact CD2-CE2 3.83Å; F265-Y308 HydrophobicContact CE1-CE2 4.48Å; F265-Y308 HydrophobicContact CE2-CE2 4.28Å; F265-Y308 HydrophobicContact CG-CD2 4.36Å; F265-Y308 AromaticContact CG-CE2 3.73Å; F265-Y308 HydrophobicContact CG-CE2 3.73Å; F265-L311 HydrophobicContact CD1-CD2 3.82Å; F265-L311 HydrophobicContact CE1-CD2 4.32Å; F265-I312 HydrophobicContact CE1-CG2 4.44Å; F265-A562 HydrophobicContact CE1-CB 4.49Å; F265-A562 HydrophobicContact CE2-CB 3.68Å; F265-A562 HydrophobicContact CZ-CB 3.47Å; F265-A562 VanDerWaalsContact CZ-CB 3.47Å
266	F	98.5	Very high	97.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	104.3	175.6	-179	-148.8	0	0	0	111.1	N250 N268 Y284 T286 L291 F293	N250-F266 HydrophobicContact CB-CB 4.02Å; N250-F266 WeakPolarHBondContact CB-O 3.42Å; N250-F266 PolarHBondContact ND2-O 3.39Å; N250-F266 PolarHBondContact O-N 2.82Å; F266-N268 HydrophobicContact CD1-CB 4.23Å; F266-N268 HydrophobicContact CD2-CB 4.06Å; F266-N268 HydrophobicContact CE1-CB 3.77Å; F266-N268 HydrophobicContact CE2-CB 3.51Å; F266-N268 HydrophobicContact CG-CB 4.38Å; F266-N268 HydrophobicContact CZ-CB 3.37Å; F266-N268 PolarHBondContact O-N 2.84Å; F266-Y284 HydrophobicContact CB-CD1 4.14Å; F266-Y284 HydrophobicContact CB-CE1 4.04Å; F266-Y284 AromaticContact CD1-CD1 3.67Å; F266-Y284 HydrophobicContact CD1-CD1 3.67Å; F266-Y284 HydrophobicContact CD1-CE1 4.38Å; F266-Y284 HydrophobicContact CD1-CG 4.33Å; F266-Y284 HydrophobicContact CE1-CD1 4.45Å; F266-Y284 HydrophobicContact CG-CD1 4.16Å; F266-T286 HydrophobicContact CE1-CG2 4.15Å; F266-T286 HydrophobicContact CZ-CG2 3.76Å; F266-L291 HydrophobicContact CE2-CD2 4.05Å; F266-L291 HydrophobicContact CZ-CD2 3.72Å; F266-F293 HydrophobicContact CB-CD1 3.75Å; F266-F293 HydrophobicContact CB-CE1 3.62Å; F266-F293 HydrophobicContact CD1-CE1 4.22Å; F266-F293 AromaticContact CD2-CD1 3.89Å; F266-F293 HydrophobicContact CD2-CD1 3.89Å; F266-F293 AromaticContact CD2-CE1 3.59Å; F266-F293 HydrophobicContact CD2-CE1 3.59Å; F266-F293 HydrophobicContact CD2-CE2 4.38Å; F266-F293 HydrophobicContact CD2-CG 4.4Å; F266-F293 AromaticContact CD2-CZ 3.86Å; F266-F293 HydrophobicContact CD2-CZ 3.86Å; F266-F293 HydrophobicContact CE2-CE1 4.37Å; F266-F293 HydrophobicContact CE2-CZ 4.18Å; F266-F293 HydrophobicContact CG-CD1 4.01Å; F266-F293 AromaticContact CG-CE1 3.53Å; F266-F293 HydrophobicContact CG-CE1 3.53Å; F266-F293 HydrophobicContact CG-CZ 4.1Å
267	L	98.3	Very high	97.2	Very high	6 Å²	6	14.7 Å²	14.7	3%	0.031	7%	0.07	C	C	.	.			trans	-79.3	85.8	179.5	-178.4	58.4	0	0	0	110.5	P141 L143 L145 F265 D292 F294 F561	P141-L267 HydrophobicContact CB-CD1 4.25Å; P141-L267 HydrophobicContact CG-CD1 4.34Å; L143-L267 HydrophobicContact CD1-CD1 3.66Å; L143-L267 HydrophobicContact CG-CD1 4.34Å; L145-L267 HydrophobicContact CD1-CD2 3.92Å; L145-L267 HydrophobicContact CD2-CD2 4.24Å; F265-L267 HydrophobicContact CD1-CB 4.46Å; F265-L267 HydrophobicContact CE1-CB 3.85Å; F265-L267 HydrophobicContact CE1-CD1 4Å; F265-L267 HydrophobicContact CE1-CG 4.43Å; F265-L267 HydrophobicContact CZ-CB 4.22Å; F265-L267 HydrophobicContact CZ-CD1 3.94Å; L267-D292 HydrophobicContact CB-CB 4.39Å; L267-D292 PolarHBondContact N-O 2.65Å; L267-F294 HydrophobicContact CB-CD2 4.44Å; L267-F294 HydrophobicContact CB-CE2 3.92Å; L267-F294 HydrophobicContact CD2-CE2 3.93Å; L267-F294 HydrophobicContact CD2-CZ 4.37Å; L267-F561 HydrophobicContact CD1-CE1 4.37Å
268	N	98.5	Very high	97.2	Very high	2 Å²	2	8 Å²	8	1%	0.011	5%	0.047	C	C	.	.			trans	-152	132.3	176.7	-171.4	-73.2	0	0	0	109.4	N250 F266 N270 Q272 T286 G288 I290	N250-N268 PolarHBondContact ND2-O 2.88Å; F266-N268 HydrophobicContact CD1-CB 4.23Å; F266-N268 HydrophobicContact CD2-CB 4.06Å; F266-N268 HydrophobicContact CE1-CB 3.77Å; F266-N268 HydrophobicContact CE2-CB 3.51Å; F266-N268 HydrophobicContact CG-CB 4.38Å; F266-N268 HydrophobicContact CZ-CB 3.37Å; F266-N268 PolarHBondContact O-N 2.84Å; N268-N270 WeakPolarHBondContact OD1-CB 3.45Å; N268-N270 PolarHBondContact OD1-N 2.95Å; N268-Q272 PolarHBondContact O-NE2 3.02Å; N268-T286 PolarHBondContact OD1-OG1 3.14Å; N268-G288 PolarHBondContact ND2-O 3.14Å; N268-I290 PolarHBondContact ND2-O 3.11Å
269	S	98.4	Very high	97.1	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.034	C	C	.	.			trans	-105.7	-0.6	-177.1	63.4	0	0	0	0	113.8	W139 N527 N530	W139-S269 PolarHBondContact NE1-OG 2.72Å; S269-N527 PolarHBondContact OG-O 3.46Å; S269-N530 WeakPolarHBondContact O-CB 3.21Å; S269-N530 PolarHBondContact O-ND2 2.76Å
270	N	98.7	Very high	97	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	-71.7	165	174.8	-66.9	101.2	0	0	0	110.8	N268 Q272 I287 G288 G289 Y526 N527 N530	N268-N270 WeakPolarHBondContact OD1-CB 3.45Å; N268-N270 PolarHBondContact OD1-N 2.95Å; N270-Q272 PolarHBondContact O-N 3.22Å; N270-I287 HydrophobicContact CB-CG1 4.01Å; N270-G288 WeakPolarHBondContact OD1-CA 3.33Å; N270-G288 PolarHBondContact OD1-O 3.4Å; N270-G289 PolarHBondContact OD1-N 3.34Å; N270-Y526 VanDerWaalsContact ND2-CD1 3.32Å; N270-Y526 WeakPolarHBondContact ND2-CD1 3.49Å; N270-Y526 PolarHBondContact ND2-O 2.81Å; N270-N527 PolarHBondContact ND2-OD1 2.82Å; N270-N530 PolarHBondContact O-ND2 3.3Å
271	A	98.6	Very high	97	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.035	C	C	.	.	S	Bend	trans	-60.1	136	171.8	0	0	0	0	0	110.1	F232 W233 I287 P502 L509	F232-A271 WeakPolarHBondContact O-CA 3.48Å; W233-A271 HydrophobicContact CB-CB 4.38Å; W233-A271 HydrophobicContact CD2-CB 3.8Å; W233-A271 HydrophobicContact CE3-CB 3.27Å; W233-A271 HydrophobicContact CG-CB 4.31Å; W233-A271 HydrophobicContact CZ3-CB 3.73Å; A271-I287 HydrophobicContact CB-CD1 3.5Å; A271-I287 HydrophobicContact CB-CG1 4.12Å; A271-I287 WeakPolarHBondContact O-CG1 3.41Å; A271-I287 PolarHBondContact O-N 2.88Å; A271-I287 VanDerWaalsContact O-N 3.15Å; A271-P502 HydrophobicContact CB-CG 4.09Å; A271-L509 HydrophobicContact CB-CD2 3.59Å
272	Q	98	Very high	96.9	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	169.5	-171.9	65.1	-171.7	-46.6	0	0	112.9	G231 F232 N250 N268 N270 R285 P502	G231-Q272 CarbonylContact C-O 3.56Å; G231-Q272 WeakPolarHBondContact CA-O 3.13Å; F232-Q272 HydrophobicContact CB-CG 3.8Å; F232-Q272 HydrophobicContact CD2-CG 4.26Å; F232-Q272 HydrophobicContact CG-CG 4.42Å; F232-Q272 PolarHBondContact N-O 3.4Å; F232-Q272 PolarHBondContact O-N 2.84Å; F232-Q272 VanDerWaalsContact O-N 3.09Å; N250-Q272 PolarHBondContact ND2-NE2 3.4Å; N250-Q272 PolarHBondContact OD1-NE2 3.15Å; N268-Q272 PolarHBondContact O-NE2 3.02Å; N270-Q272 PolarHBondContact O-N 3.22Å; Q272-R285 CarbonylContact C-O 3.59Å; Q272-R285 WeakPolarHBondContact CA-O 3.26Å; Q272-R285 WeakPolarHBondContact CB-O 3.06Å; Q272-P502 WeakPolarHBondContact O-CB 3.48Å
273	E	96	Very high	96.9	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	142.3	173.9	-170.7	-175.5	108.9	0	0	110.3	R229 L230 R285 Y500 P502 K503	R229-E273 IonicContact CZ-OE1 2.84Å; R229-E273 IonicContact CZ-OE2 3.73Å; R229-E273 VanDerWaalsContact NE-CD 3.33Å; R229-E273 IonicContact NE-OE1 2.85Å; R229-E273 PolarHBondContact NE-OE1 3.49Å; R229-E273 IonicContact NE-OE2 3.91Å; R229-E273 PolarHBondContact NE-OE2 2.91Å; R229-E273 IonicContact NH2-OE1 3.67Å; R229-E273 PolarHBondContact NH2-OE1 2.77Å; R229-E273 IonicContact NH2-OE2 2.71Å; R229-E273 PolarHBondContact NH2-OE2 2.9Å; L230-E273 CarbonylContact O-C 3.54Å; L230-E273 VanDerWaalsContact O-CA 3.23Å; L230-E273 WeakPolarHBondContact O-CA 3.06Å; L230-E273 WeakPolarHBondContact O-CG 3.44Å; E273-R285 HydrophobicContact CB-CB 4.32Å; E273-R285 PolarHBondContact N-O 3.12Å; E273-R285 PolarHBondContact O-N 3.37Å; E273-R285 IonicContact OE1-CZ 3.6Å; E273-R285 IonicContact OE1-NH1 2.8Å; E273-R285 PolarHBondContact OE1-NH1 3.41Å; E273-Y500 PolarHBondContact OE2-OH 3.01Å; E273-Y500 VanDerWaalsContact OE2-OH 3.08Å; E273-P502 HydrophobicContact CB-CB 4.15Å; E273-K503 WeakPolarHBondContact OE2-CB 3.02Å; E273-K503 PolarHBondContact OE2-N 2.8Å
274	V	96.6	Very high	96.9	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122	167.1	-179.6	0	0	0	0	109.1	P213 L230 F232 I282 T283 Y284	P213-V274 HydrophobicContact CG-CB 4.16Å; P213-V274 HydrophobicContact CG-CG1 4.22Å; P213-V274 HydrophobicContact CG-CG2 4.03Å; L230-V274 PolarHBondContact N-O 2.97Å; L230-V274 PolarHBondContact O-N 2.94Å; F232-V274 HydrophobicContact CD2-CG2 4.28Å; F232-V274 HydrophobicContact CE2-CB 3.96Å; F232-V274 HydrophobicContact CE2-CG2 3.82Å; V274-I282 HydrophobicContact CG1-CG2 3.37Å; V274-T283 WeakPolarHBondContact CA-O 3.32Å; V274-Y284 HydrophobicContact CG2-CD1 3.87Å; V274-Y284 HydrophobicContact CG2-CE1 3.99Å
275	A	96	Very high	96.9	Very high	7 Å²	7	6.2 Å²	6.2	6%	0.058	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.9	175.4	0	0	0	0	0	111	M228 R229 I282 T283	M228-A275 CarbonylContact O-C 3.42Å; M228-A275 WeakPolarHBondContact O-CA 3.45Å; R229-A275 HydrophobicContact CG-CB 4.04Å; A275-I282 CarbonylContact O-C 3.55Å; A275-I282 WeakPolarHBondContact O-CA 3.11Å; A275-T283 PolarHBondContact N-O 3.26Å; A275-T283 PolarHBondContact O-N 2.87Å
276	I	95.3	Very high	96.9	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	135.3	173.8	-59.8	175.4	0	0	0	108.2	N222 P223 L224 W227 M228 A281	N222-I276 HydrophobicContact CB-CD1 3.93Å; P223-I276 WeakPolarHBondContact O-CG2 3.44Å; L224-I276 HydrophobicContact CD2-CG2 3.69Å; W227-I276 WeakPolarHBondContact CA-O 3.28Å; M228-I276 HydrophobicContact CB-CB 4.31Å; M228-I276 PolarHBondContact N-O 2.91Å; M228-I276 PolarHBondContact O-N 2.91Å; I276-A281 WeakPolarHBondContact CA-O 3.18Å
277	T	94.1	Very high	96.8	Very high	6 Å²	6	6.2 Å²	6.2	4%	0.037	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	160.2	-175	80.5	0	0	0	0	111.5	K226 W227 L279 P280 A281	K226-T277 CarbonylContact O-C 3.47Å; W227-T277 HydrophobicContact CE3-CG2 3.74Å; W227-T277 HydrophobicContact CH2-CG2 4.33Å; W227-T277 VanDerWaalsContact CZ3-CB 3.42Å; W227-T277 HydrophobicContact CZ3-CG2 3.4Å; W227-T277 VanDerWaalsContact CZ3-CG2 3.4Å; T277-L279 PolarHBondContact O-N 3Å; T277-L279 WeakPolarHBondContact OG1-CB 3.33Å; T277-L279 PolarHBondContact OG1-N 3.22Å; T277-P280 VanDerWaalsContact O-CA 3.31Å; T277-P280 WeakPolarHBondContact O-CA 3.5Å; T277-A281 PolarHBondContact N-O 2.95Å; T277-A281 PolarHBondContact O-N 3.09Å; T277-A281 PolarHBondContact OG1-N 3.39Å
278	P	93.9	Very high	96.8	Very high	26 Å²	26	6.1 Å²	6.1	17%	0.169	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	2.5	175	32.3	-38.3	0	0	0	114.7	V37 W227 P280	V37-P278 HydrophobicContact CB-CG 4.29Å; V37-P278 HydrophobicContact CG1-CB 4.29Å; V37-P278 HydrophobicContact CG1-CG 4.12Å; W227-P278 VanDerWaalsContact CD2-CD 3.47Å; W227-P278 HydrophobicContact CD2-CG 4.2Å; W227-P278 VanDerWaalsContact CE2-CG 3.47Å; W227-P278 HydrophobicContact CH2-CG 4.27Å; W227-P278 VanDerWaalsContact CZ2-CD 3.46Å; W227-P278 HydrophobicContact CZ2-CG 3.51Å; P278-P280 WeakPolarHBondContact O-CD 3.42Å; P278-P280 VanDerWaalsContact O-N 3.07Å
279	L	92.8	Very high	96.8	Very high	33 Å²	33	6.1 Å²	6.1	17%	0.173	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	18.6	167.1	-168.8	54.2	0	0	0	111.8	V37 E38 L40 L188 H204 T277 A281	V37-L279 WeakPolarHBondContact O-CB 3.31Å; E38-L279 HydrophobicContact CG-CD1 4.36Å; L40-L279 HydrophobicContact CD2-CD2 4.47Å; L188-L279 HydrophobicContact CD2-CD2 3.56Å; H204-L279 PolarHBondContact CD2-O 2.77Å; H204-L279 PolarHBondContact NE2-O 2.91Å; T277-L279 PolarHBondContact O-N 3Å; T277-L279 WeakPolarHBondContact OG1-CB 3.33Å; T277-L279 PolarHBondContact OG1-N 3.22Å; L279-A281 VanDerWaalsContact C-N 3.31Å; L279-A281 HydrophobicContact CB-CB 3.98Å; L279-A281 HydrophobicContact CD2-CB 4.39Å; L279-A281 HydrophobicContact CG-CB 4.34Å
280	P	94.7	Very high	96.8	Very high	38 Å²	38	6.4 Å²	6.4	25%	0.247	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn		2.8	80.9	-126.2	20.3	-38.3	0	0	0	113.8	V205 L224 T277 P278	V205-P280 HydrophobicContact CG2-CB 4.29Å; V205-P280 WeakPolarHBondContact CG2-O 3.42Å; V205-P280 PolarHBondContact N-O 3.03Å; L224-P280 HydrophobicContact CB-CB 3.9Å; L224-P280 WeakPolarHBondContact O-CA 3.22Å; T277-P280 VanDerWaalsContact O-CA 3.31Å; T277-P280 WeakPolarHBondContact O-CA 3.5Å; P278-P280 WeakPolarHBondContact O-CD 3.42Å; P278-P280 VanDerWaalsContact O-N 3.07Å
281	A	95.9	Very high	96.7	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	154.8	178	0	0	0	0	0	112.3	T202 F203 I276 T277 L279	T202-A281 HydrophobicContact CG2-CB 3.84Å; F203-A281 CarbonylContact O-C 3.51Å; F203-A281 VanDerWaalsContact O-CA 3.26Å; F203-A281 WeakPolarHBondContact O-CA 3.29Å; F203-A281 WeakPolarHBondContact O-CB 3.45Å; I276-A281 WeakPolarHBondContact CA-O 3.18Å; T277-A281 PolarHBondContact N-O 2.95Å; T277-A281 PolarHBondContact O-N 3.09Å; T277-A281 PolarHBondContact OG1-N 3.39Å; L279-A281 VanDerWaalsContact C-N 3.31Å; L279-A281 HydrophobicContact CB-CB 3.98Å; L279-A281 HydrophobicContact CD2-CB 4.39Å; L279-A281 HydrophobicContact CG-CB 4.34Å
282	I	97.1	Very high	96.7	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.005	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.2	175.5	-55.1	-176.6	0	0	0	108.5	T202 F203 V205 F252 V274 A275 Y284	T202-I282 WeakPolarHBondContact CA-O 3.41Å; F203-I282 PolarHBondContact N-O 2.69Å; F203-I282 PolarHBondContact O-N 3.33Å; V205-I282 HydrophobicContact CG1-CD1 3.76Å; V205-I282 HydrophobicContact CG1-CG1 3.86Å; V205-I282 HydrophobicContact CG2-CD1 4.32Å; V205-I282 HydrophobicContact CG2-CG1 4.05Å; F252-I282 HydrophobicContact CB-CD1 4.41Å; F252-I282 HydrophobicContact CD1-CD1 3.46Å; F252-I282 VanDerWaalsContact CD1-CD1 3.46Å; F252-I282 HydrophobicContact CD2-CD1 3.55Å; F252-I282 HydrophobicContact CE1-CD1 3.44Å; F252-I282 VanDerWaalsContact CE1-CD1 3.44Å; F252-I282 HydrophobicContact CE2-CD1 3.51Å; F252-I282 HydrophobicContact CG-CD1 3.52Å; F252-I282 HydrophobicContact CZ-CD1 3.47Å; F252-I282 VanDerWaalsContact CZ-CD1 3.47Å; V274-I282 HydrophobicContact CG1-CG2 3.37Å; A275-I282 CarbonylContact O-C 3.55Å; A275-I282 WeakPolarHBondContact O-CA 3.11Å; I282-Y284 HydrophobicContact CB-CE2 4.23Å; I282-Y284 HydrophobicContact CG2-CD2 4.17Å; I282-Y284 HydrophobicContact CG2-CE1 4.41Å; I282-Y284 HydrophobicContact CG2-CE2 3.6Å
283	T	97.8	Very high	96.8	Very high	5 Å²	5	6.5 Å²	6.5	3%	0.031	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.5	173.2	-54.5	0	0	0	0	109.2	Q200 I201 T202 V274 A275 R285	Q200-T283 HydrophobicContact CG-CG2 3.64Å; I201-T283 WeakPolarHBondContact O-CA 3.01Å; T202-T283 WeakPolarHBondContact CG2-OG1 3.47Å; T202-T283 WeakPolarHBondContact OG1-CG2 3.32Å; T202-T283 PolarHBondContact OG1-OG1 3.08Å; V274-T283 WeakPolarHBondContact CA-O 3.32Å; A275-T283 PolarHBondContact N-O 3.26Å; A275-T283 PolarHBondContact O-N 2.87Å; T283-R285 HydrophobicContact CG2-CG 4.24Å
284	Y	98.3	Very high	96.9	Very high	3 Å²	3	6.5 Å²	6.5	1%	0.012	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.6	173.3	-64.8	-90.9	0	0	0	109	Q200 I201 F203 I264 F266 V274 I282 F293	Q200-Y284 VanDerWaalsContact CA-O 3.22Å; Q200-Y284 WeakPolarHBondContact CA-O 3.43Å; Q200-Y284 WeakPolarHBondContact CG-O 3.43Å; I201-Y284 PolarHBondContact N-O 3.03Å; I201-Y284 VanDerWaalsContact N-O 3.16Å; I201-Y284 PolarHBondContact O-N 2.89Å; F203-Y284 HydrophobicContact CD2-CD2 4.29Å; F203-Y284 HydrophobicContact CD2-CE2 4.19Å; I264-Y284 HydrophobicContact CD1-CE2 4.22Å; I264-Y284 VanDerWaalsContact CG2-OH 3.29Å; I264-Y284 WeakPolarHBondContact CG2-OH 3.35Å; F266-Y284 HydrophobicContact CB-CD1 4.14Å; F266-Y284 HydrophobicContact CB-CE1 4.04Å; F266-Y284 AromaticContact CD1-CD1 3.67Å; F266-Y284 HydrophobicContact CD1-CD1 3.67Å; F266-Y284 HydrophobicContact CD1-CE1 4.38Å; F266-Y284 HydrophobicContact CD1-CG 4.33Å; F266-Y284 HydrophobicContact CE1-CD1 4.45Å; F266-Y284 HydrophobicContact CG-CD1 4.16Å; V274-Y284 HydrophobicContact CG2-CD1 3.87Å; V274-Y284 HydrophobicContact CG2-CE1 3.99Å; I282-Y284 HydrophobicContact CB-CE2 4.23Å; I282-Y284 HydrophobicContact CG2-CD2 4.17Å; I282-Y284 HydrophobicContact CG2-CE1 4.41Å; I282-Y284 HydrophobicContact CG2-CE2 3.6Å; Y284-F293 AromaticContact CD1-CE1 3.98Å; Y284-F293 HydrophobicContact CD1-CE1 3.98Å; Y284-F293 AromaticContact CD2-CE1 3.7Å; Y284-F293 HydrophobicContact CD2-CE1 3.7Å; Y284-F293 AromaticContact CD2-CZ 3.94Å; Y284-F293 HydrophobicContact CD2-CZ 3.94Å; Y284-F293 HydrophobicContact CE1-CE1 4.16Å; Y284-F293 AromaticContact CE2-CE1 3.9Å; Y284-F293 HydrophobicContact CE2-CE1 3.9Å; Y284-F293 AromaticContact CG-CE1 3.74Å; Y284-F293 HydrophobicContact CG-CE1 3.74Å; Y284-F293 AromaticContact CG-CZ 3.95Å; Y284-F293 HydrophobicContact CG-CZ 3.95Å
285	R	98.2	Very high	97	Very high	4 Å²	4	6.6 Å²	6.6	2%	0.015	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	118.5	175.5	-64.5	165.6	-178.4	157.5	-10	108.8	D41 P44 F198 L199 Q200 Q272 E273 T283 Y500	D41-R285 VanDerWaalsContact CB-NH2 3.32Å; D41-R285 PolarHBondContact O-NH2 3.01Å; D41-R285 IonicContact OD2-CZ 3.51Å; D41-R285 IonicContact OD2-NH1 2.63Å; D41-R285 IonicContact OD2-NH2 3.43Å; D41-R285 PolarHBondContact OD2-NH2 2.85Å; P44-R285 VanDerWaalsContact CB-NH1 3.34Å; F198-R285 HydrophobicContact CE2-CB 4.42Å; F198-R285 HydrophobicContact CE2-CG 4.44Å; F198-R285 HydrophobicContact CZ-CG 4.32Å; L199-R285 CarbonylContact O-C 3.58Å; L199-R285 VanDerWaalsContact O-CA 3.3Å; L199-R285 WeakPolarHBondContact O-CA 3.42Å; Q200-R285 HydrophobicContact CB-CG 4.35Å; Q200-R285 HydrophobicContact CG-CG 3.86Å; Q272-R285 CarbonylContact C-O 3.59Å; Q272-R285 WeakPolarHBondContact CA-O 3.26Å; Q272-R285 WeakPolarHBondContact CB-O 3.06Å; E273-R285 HydrophobicContact CB-CB 4.32Å; E273-R285 PolarHBondContact N-O 3.12Å; E273-R285 PolarHBondContact O-N 3.37Å; E273-R285 IonicContact OE1-CZ 3.6Å; E273-R285 IonicContact OE1-NH1 2.8Å; E273-R285 PolarHBondContact OE1-NH1 3.41Å; T283-R285 HydrophobicContact CG2-CG 4.24Å; R285-Y500 HydrophobicContact CB-CE1 4.15Å
286	T	98.5	Very high	97.1	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	152.2	175.1	-178.3	0	0	0	0	110.8	F198 L199 F266 N268 G288 L291	F198-T286 CarbonylContact C-O 3.59Å; F198-T286 WeakPolarHBondContact CA-O 3.31Å; L199-T286 HydrophobicContact CB-CG2 3.81Å; L199-T286 HydrophobicContact CD1-CG2 4.23Å; L199-T286 HydrophobicContact CG-CG2 4.45Å; L199-T286 PolarHBondContact N-O 3.11Å; L199-T286 PolarHBondContact O-N 3.35Å; F266-T286 HydrophobicContact CE1-CG2 4.15Å; F266-T286 HydrophobicContact CZ-CG2 3.76Å; N268-T286 PolarHBondContact OD1-OG1 3.14Å; T286-G288 WeakPolarHBondContact CG2-O 3.32Å; T286-G288 PolarHBondContact OG1-N 2.85Å; T286-G288 PolarHBondContact OG1-O 2.98Å; T286-L291 HydrophobicContact CG2-CD2 4.25Å
287	I	98	Very high	97.2	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.038	C	C	.	.	S	Bend	trans	-89.4	-0.3	179.8	70.6	178.4	0	0	0	113.4	Q197 N270 A271 Y500 P502 L509 Y526	Q197-I287 CarbonylContact C-O 3.55Å; Q197-I287 WeakPolarHBondContact CA-O 3.49Å; Q197-I287 WeakPolarHBondContact O-CA 3.22Å; N270-I287 HydrophobicContact CB-CG1 4.01Å; A271-I287 HydrophobicContact CB-CD1 3.5Å; A271-I287 HydrophobicContact CB-CG1 4.12Å; A271-I287 WeakPolarHBondContact O-CG1 3.41Å; A271-I287 PolarHBondContact O-N 2.88Å; A271-I287 VanDerWaalsContact O-N 3.15Å; I287-Y500 HydrophobicContact CG2-CD1 3.9Å; I287-Y500 WeakPolarHBondContact CG2-O 3.32Å; I287-P502 HydrophobicContact CG2-CG 4.02Å; I287-L509 HydrophobicContact CD1-CD1 3.57Å; I287-L509 HydrophobicContact CD1-CD2 4.19Å; I287-Y526 WeakPolarHBondContact CB-OH 3.4Å; I287-Y526 HydrophobicContact CD1-CD2 4.16Å; I287-Y526 HydrophobicContact CD1-CE1 4.03Å; I287-Y526 HydrophobicContact CD1-CE2 3.34Å; I287-Y526 WeakPolarHBondContact CD1-OH 3.39Å; I287-Y526 HydrophobicContact CG1-CE1 3.82Å; I287-Y526 HydrophobicContact CG1-CE2 4.03Å; I287-Y526 VanDerWaalsContact CG1-CZ 3.4Å; I287-Y526 WeakPolarHBondContact CG1-OH 3.49Å; I287-Y526 PolarHBondContact O-OH 2.98Å
288	G	97.6	Very high	97.3	Very high	3 Å²	3	6.1 Å²	6.1	3%	0.031	4%	0.037	C	C	.	.	S	Bend	trans	-166.4	-175.1	-175.5	0	0	0	0	0	114.6	N268 N270 T286	N268-G288 PolarHBondContact ND2-O 3.14Å; N270-G288 WeakPolarHBondContact OD1-CA 3.33Å; N270-G288 PolarHBondContact OD1-O 3.4Å; T286-G288 WeakPolarHBondContact CG2-O 3.32Å; T286-G288 PolarHBondContact OG1-N 2.85Å; T286-G288 PolarHBondContact OG1-O 2.98Å
289	G	97.7	Very high	97.4	Very high	3 Å²	3	7.5 Å²	7.5	3%	0.031	5%	0.047	C	C	.	.	S	Bend	trans	64.6	-144.1	179.8	0	0	0	0	0	113.2	R138 W139 N270	R138-G289 VanDerWaalsContact CZ-O 3.23Å; R138-G289 PolarHBondContact NE-O 3.32Å; R138-G289 PolarHBondContact NH2-O 2.69Å; W139-G289 WeakPolarHBondContact O-CA 3.17Å; N270-G289 PolarHBondContact OD1-N 3.34Å
290	I	98.1	Very high	97.6	Very high	6 Å²	6	11 Å²	11	3%	0.031	6%	0.06	C	C	.	.			trans	-122.1	169.7	176	66.3	167.1	0	0	0	110.7	F130 T131 R138 E140 N268 D292	F130-I290 WeakPolarHBondContact O-CB 3.43Å; T131-I290 HydrophobicContact CG2-CD1 4.06Å; R138-I290 HydrophobicContact CB-CG2 3.84Å; E140-I290 VanDerWaalsContact CD-CD1 3.41Å; E140-I290 HydrophobicContact CG-CD1 3.73Å; E140-I290 HydrophobicContact CG-CG1 3.95Å; E140-I290 WeakPolarHBondContact OE2-CD1 3.3Å; N268-I290 PolarHBondContact ND2-O 3.11Å; I290-D292 HydrophobicContact CD1-CB 4.02Å; I290-D292 HydrophobicContact CG1-CB 4.06Å
291	L	98.4	Very high	97.7	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	106.4	166.6	-60.1	-178.5	0	0	0	109.3	R129 F130 L192 I194 L199 I201 F266 T286 F293	R129-L291 CarbonylContact C-O 3.52Å; R129-L291 WeakPolarHBondContact CA-O 3.08Å; F130-L291 HydrophobicContact CB-CB 3.99Å; F130-L291 HydrophobicContact CB-CD1 4.45Å; F130-L291 HydrophobicContact CD2-CB 3.81Å; F130-L291 HydrophobicContact CD2-CD1 4.22Å; F130-L291 HydrophobicContact CG-CB 4.25Å; F130-L291 HydrophobicContact CG-CD1 4.36Å; F130-L291 PolarHBondContact N-O 2.78Å; F130-L291 PolarHBondContact O-N 2.94Å; L192-L291 HydrophobicContact CD1-CD1 4.22Å; I194-L291 HydrophobicContact CD1-CD1 3.57Å; I194-L291 HydrophobicContact CD1-CG 4.03Å; L199-L291 HydrophobicContact CB-CD2 3.74Å; L199-L291 HydrophobicContact CB-CG 4.07Å; L199-L291 HydrophobicContact CD2-CD2 4.33Å; L199-L291 HydrophobicContact CD2-CG 4.08Å; I201-L291 HydrophobicContact CB-CD1 4.04Å; I201-L291 HydrophobicContact CG2-CD1 3.9Å; F266-L291 HydrophobicContact CE2-CD2 4.05Å; F266-L291 HydrophobicContact CZ-CD2 3.72Å; T286-L291 HydrophobicContact CG2-CD2 4.25Å; L291-F293 HydrophobicContact CB-CD2 4.45Å; L291-F293 HydrophobicContact CB-CE2 3.83Å; L291-F293 HydrophobicContact CD2-CE2 4.41Å; L291-F293 HydrophobicContact CD2-CZ 4.48Å; L291-F293 HydrophobicContact CG-CE2 4.49Å
292	D	98.3	Very high	97.8	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.011	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	101.4	-177.8	-174.7	9.2	0	0	0	110.5	R127 R129 L267 I290	R127-D292 WeakPolarHBondContact CG-OD1 3.27Å; R127-D292 IonicContact CZ-OD1 2.66Å; R127-D292 IonicContact CZ-OD2 2.8Å; R127-D292 VanDerWaalsContact CZ-OD2 3.3Å; R127-D292 IonicContact NE-OD1 3.34Å; R127-D292 PolarHBondContact NE-OD1 2.71Å; R127-D292 IonicContact NE-OD2 2.72Å; R127-D292 PolarHBondContact NE-OD2 3.1Å; R127-D292 IonicContact NH2-OD1 3.93Å; R127-D292 IonicContact NH2-OD2 3.73Å; R127-D292 PolarHBondContact NH2-OD2 2.8Å; R129-D292 HydrophobicContact CG-CB 4.41Å; R129-D292 VanDerWaalsContact CG-OD1 3.25Å; R129-D292 WeakPolarHBondContact CG-OD1 3.23Å; L267-D292 HydrophobicContact CB-CB 4.39Å; L267-D292 PolarHBondContact N-O 2.65Å; I290-D292 HydrophobicContact CD1-CB 4.02Å; I290-D292 HydrophobicContact CG1-CB 4.06Å
293	F	98.7	Very high	97.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	141.2	-176	-61.1	-85	0	0	0	111.6	R127 L128 I201 F203 I264 F265 F266 Y284 L291	R127-F293 CarbonylContact C-O 3.56Å; R127-F293 VanDerWaalsContact CA-O 3.28Å; R127-F293 WeakPolarHBondContact CA-O 3.18Å; L128-F293 HydrophobicContact CB-CB 4.29Å; L128-F293 PolarHBondContact N-O 2.66Å; L128-F293 PolarHBondContact O-N 2.99Å; I201-F293 HydrophobicContact CG2-CE2 3.65Å; I201-F293 HydrophobicContact CG2-CZ 3.56Å; F203-F293 HydrophobicContact CE2-CD2 4.44Å; F203-F293 HydrophobicContact CE2-CE1 4.41Å; F203-F293 HydrophobicContact CE2-CE2 4.14Å; F203-F293 HydrophobicContact CE2-CZ 4.14Å; I264-F293 HydrophobicContact CD1-CB 4.42Å; I264-F293 HydrophobicContact CD1-CD1 3.71Å; I264-F293 HydrophobicContact CD1-CE1 4.29Å; I264-F293 HydrophobicContact CD1-CG 4.27Å; I264-F293 HydrophobicContact CG1-CB 4.39Å; I264-F293 HydrophobicContact CG1-CD1 3.94Å; F265-F293 CarbonylContact O-C 3.44Å; F265-F293 VanDerWaalsContact O-CA 3.28Å; F265-F293 WeakPolarHBondContact O-CA 3.31Å; F266-F293 HydrophobicContact CB-CD1 3.75Å; F266-F293 HydrophobicContact CB-CE1 3.62Å; F266-F293 HydrophobicContact CD1-CE1 4.22Å; F266-F293 AromaticContact CD2-CD1 3.89Å; F266-F293 HydrophobicContact CD2-CD1 3.89Å; F266-F293 AromaticContact CD2-CE1 3.59Å; F266-F293 HydrophobicContact CD2-CE1 3.59Å; F266-F293 HydrophobicContact CD2-CE2 4.38Å; F266-F293 HydrophobicContact CD2-CG 4.4Å; F266-F293 AromaticContact CD2-CZ 3.86Å; F266-F293 HydrophobicContact CD2-CZ 3.86Å; F266-F293 HydrophobicContact CE2-CE1 4.37Å; F266-F293 HydrophobicContact CE2-CZ 4.18Å; F266-F293 HydrophobicContact CG-CD1 4.01Å; F266-F293 AromaticContact CG-CE1 3.53Å; F266-F293 HydrophobicContact CG-CE1 3.53Å; F266-F293 HydrophobicContact CG-CZ 4.1Å; Y284-F293 AromaticContact CD1-CE1 3.98Å; Y284-F293 HydrophobicContact CD1-CE1 3.98Å; Y284-F293 AromaticContact CD2-CE1 3.7Å; Y284-F293 HydrophobicContact CD2-CE1 3.7Å; Y284-F293 AromaticContact CD2-CZ 3.94Å; Y284-F293 HydrophobicContact CD2-CZ 3.94Å; Y284-F293 HydrophobicContact CE1-CE1 4.16Å; Y284-F293 AromaticContact CE2-CE1 3.9Å; Y284-F293 HydrophobicContact CE2-CE1 3.9Å; Y284-F293 AromaticContact CG-CE1 3.74Å; Y284-F293 HydrophobicContact CG-CE1 3.74Å; Y284-F293 AromaticContact CG-CZ 3.95Å; Y284-F293 HydrophobicContact CG-CZ 3.95Å; L291-F293 HydrophobicContact CB-CD2 4.45Å; L291-F293 HydrophobicContact CB-CE2 3.83Å; L291-F293 HydrophobicContact CD2-CE2 4.41Å; L291-F293 HydrophobicContact CD2-CZ 4.48Å; L291-F293 HydrophobicContact CG-CE2 4.49Å
294	F	98.6	Very high	97.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.7	165.2	-61	-103.4	0	0	0	108.8	E121 R125 L126 R127 L145 I264 F265 L267 F296 L311	E121-F294 WeakPolarHBondContact OE2-CE1 3.44Å; R125-F294 HydrophobicContact CG-CD1 4.35Å; L126-F294 CarbonylContact O-C 3.53Å; L126-F294 WeakPolarHBondContact O-CA 3.25Å; R127-F294 HydrophobicContact CB-CD1 4.13Å; R127-F294 HydrophobicContact CB-CE1 4.17Å; R127-F294 VanDerWaalsContact CD-CE1 3.47Å; R127-F294 VanDerWaalsContact CD-CZ 3.47Å; R127-F294 HydrophobicContact CG-CD1 4.02Å; R127-F294 HydrophobicContact CG-CE1 3.79Å; R127-F294 HydrophobicContact CG-CE2 4.31Å; R127-F294 HydrophobicContact CG-CG 4.41Å; R127-F294 HydrophobicContact CG-CZ 3.94Å; R127-F294 VanDerWaalsContact NE-CZ 3.3Å; L145-F294 HydrophobicContact CD1-CZ 3.8Å; I264-F294 CarbonylContact C-O 3.48Å; I264-F294 VanDerWaalsContact CA-O 3.26Å; I264-F294 WeakPolarHBondContact CA-O 3.32Å; F265-F294 HydrophobicContact CB-CB 4.32Å; F265-F294 AromaticContact CD1-CD2 3.77Å; F265-F294 HydrophobicContact CD1-CD2 3.77Å; F265-F294 HydrophobicContact CD1-CE2 4.39Å; F265-F294 HydrophobicContact CD1-CG 4.42Å; F265-F294 HydrophobicContact CE1-CD2 4.4Å; F265-F294 PolarHBondContact N-O 2.84Å; F265-F294 PolarHBondContact O-N 3.08Å; L267-F294 HydrophobicContact CB-CD2 4.44Å; L267-F294 HydrophobicContact CB-CE2 3.92Å; L267-F294 HydrophobicContact CD2-CE2 3.93Å; L267-F294 HydrophobicContact CD2-CZ 4.37Å; F294-F296 HydrophobicContact CB-CE1 4.39Å; F294-F296 HydrophobicContact CB-CE2 4.14Å; F294-F296 HydrophobicContact CB-CZ 3.81Å; F294-L311 HydrophobicContact CB-CD2 3.91Å; F294-L311 HydrophobicContact CD1-CD1 3.79Å; F294-L311 HydrophobicContact CD1-CD2 3.47Å; F294-L311 VanDerWaalsContact CD1-CD2 3.47Å; F294-L311 HydrophobicContact CD1-CG 4.29Å; F294-L311 HydrophobicContact CD2-CD2 3.81Å; F294-L311 HydrophobicContact CE1-CD1 3.48Å; F294-L311 VanDerWaalsContact CE1-CD1 3.48Å; F294-L311 HydrophobicContact CE1-CD2 3.84Å; F294-L311 HydrophobicContact CE1-CG 4.32Å; F294-L311 HydrophobicContact CE2-CD2 4.18Å; F294-L311 HydrophobicContact CG-CD2 3.44Å; F294-L311 VanDerWaalsContact CG-CD2 3.44Å; F294-L311 HydrophobicContact CZ-CD1 4.1Å; F294-L311 HydrophobicContact CZ-CD2 4.18Å
295	V	98.7	Very high	97.9	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.006	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.5	178.1	-178.4	0	0	0	0	108.6	R125 L126 L128 I171 I181 L182 G263 I264	R125-V295 WeakPolarHBondContact CA-O 3.38Å; L126-V295 HydrophobicContact CB-CB 4.38Å; L126-V295 PolarHBondContact N-O 3.3Å; L126-V295 PolarHBondContact O-N 3.29Å; L128-V295 HydrophobicContact CD1-CG2 4.3Å; I171-V295 HydrophobicContact CD1-CB 4.32Å; I171-V295 HydrophobicContact CD1-CG1 4.22Å; I171-V295 HydrophobicContact CD1-CG2 3.72Å; I171-V295 HydrophobicContact CG2-CG1 4.4Å; I181-V295 HydrophobicContact CD1-CG1 3.84Å; L182-V295 HydrophobicContact CD1-CG1 3.94Å; L182-V295 HydrophobicContact CD1-CG2 3.75Å; G263-V295 CarbonylContact O-C 3.29Å; G263-V295 WeakPolarHBondContact O-CA 3.48Å; I264-V295 HydrophobicContact CG1-CG2 4.37Å
296	F	98.4	Very high	97.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.2	-176.7	-50.5	-79.2	0	0	0	109.4	T124 R125 F251 F262 G263 F265 F294 V304 Q307 Y308 L311	T124-F296 WeakPolarHBondContact O-CA 3.31Å; R125-F296 HydrophobicContact CB-CD1 4.37Å; R125-F296 VanDerWaalsContact CD-CE1 3.46Å; R125-F296 HydrophobicContact CG-CD1 3.93Å; R125-F296 HydrophobicContact CG-CE1 3.79Å; F251-F296 HydrophobicContact CD2-CD2 4.46Å; F251-F296 HydrophobicContact CD2-CE2 4.13Å; F251-F296 AromaticContact CE2-CD2 3.74Å; F251-F296 HydrophobicContact CE2-CD2 3.74Å; F251-F296 AromaticContact CE2-CE2 3.81Å; F251-F296 HydrophobicContact CE2-CE2 3.81Å; F262-F296 CarbonylContact C-O 3.58Å; F262-F296 VanDerWaalsContact CA-O 3.29Å; F262-F296 WeakPolarHBondContact CA-O 3.47Å; F262-F296 WeakPolarHBondContact CB-O 3.28Å; G263-F296 PolarHBondContact N-O 3.41Å; G263-F296 PolarHBondContact O-N 2.96Å; F265-F296 HydrophobicContact CB-CE2 3.73Å; F265-F296 HydrophobicContact CB-CZ 4.23Å; F294-F296 HydrophobicContact CB-CE1 4.39Å; F294-F296 HydrophobicContact CB-CE2 4.14Å; F294-F296 HydrophobicContact CB-CZ 3.81Å; F296-V304 HydrophobicContact CB-CG1 4.04Å; F296-Q307 HydrophobicContact CB-CB 4.05Å; F296-Q307 HydrophobicContact CD1-CB 3.69Å; F296-Q307 WeakPolarHBondContact CE1-O 3.43Å; F296-Q307 HydrophobicContact CG-CB 4.2Å; F296-Y308 AromaticContact CE2-CD2 3.84Å; F296-Y308 HydrophobicContact CE2-CD2 3.84Å; F296-Y308 HydrophobicContact CE2-CG 4.42Å; F296-Y308 AromaticContact CZ-CD2 3.74Å; F296-Y308 HydrophobicContact CZ-CD2 3.74Å; F296-Y308 HydrophobicContact CZ-CG 4.41Å; F296-L311 HydrophobicContact CE1-CB 4.13Å; F296-L311 HydrophobicContact CE1-CD2 4.14Å; F296-L311 HydrophobicContact CZ-CB 4.29Å; F296-L311 HydrophobicContact CZ-CD2 3.68Å
297	T	97.3	Very high	97.9	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.006	8%	0.082	C	C	.	.			trans	-83.9	-15.4	-170.7	54.9	0	0	0	0	114.5	T124 Y158 R173 Q307	T124-T297 WeakPolarHBondContact CA-OG1 3.48Å; T124-T297 WeakPolarHBondContact CB-OG1 3.35Å; T124-T297 PolarHBondContact O-N 2.89Å; T124-T297 PolarHBondContact O-OG1 2.79Å; Y158-T297 HydrophobicContact CD1-CG2 3.76Å; Y158-T297 HydrophobicContact CG-CG2 4.16Å; R173-T297 VanDerWaalsContact CZ-O 3.27Å; R173-T297 PolarHBondContact NH1-O 2.6Å; R173-T297 PolarHBondContact NH2-O 3.21Å; T297-Q307 VanDerWaalsContact N-OE1 3.15Å
298	G	95.8	Very high	97.9	Very high	2 Å²	2	15.5 Å²	15.5	2%	0.021	8%	0.082	C	C	.	.			trans	74.2	-138	-174.4	0	0	0	0	0	112.8	V304 Q307	G298-V304 VanDerWaalsContact CA-CG2 3.41Å; G298-Q307 PolarHBondContact O-NE2 2.78Å
299	P	95.8	Very high	97.9	Very high	56 Å²	56	15.4 Å²	15.4	36%	0.364	8%	0.081	S	C	.	.	S	Bend	cis	-97.8	-19.6	32.5	34.8	-37.2	0	0	0	116.5	T260 A261 D303	T260-P299 CarbonylContact C-O 3.59Å; T260-P299 WeakPolarHBondContact CA-O 3.28Å; T260-P299 HydrophobicContact CG2-CB 4.42Å; A261-P299 PolarHBondContact N-O 2.96Å; P299-D303 WeakPolarHBondContact CD-OD2 3.45Å
300	K	97.1	Very high	97.9	Very high	105 Å²	105	18.8 Å²	18.8	46%	0.457	10%	0.099	S	C	.	.	S	Bend	trans	-90.2	158.7	178.1	-61.1	-175	172.6	-167.4	0	111.3	L302 D303 V304 E691	K300-L302 VanDerWaalsContact C-N 3.3Å; K300-L302 PolarHBondContact O-N 3.36Å; K300-D303 VanDerWaalsContact CB-OD2 3.24Å; K300-D303 WeakPolarHBondContact CB-OD2 3.33Å; K300-D303 PolarHBondContact N-OD2 2.82Å; K300-D303 WeakPolarHBondContact O-CA 3.38Å; K300-D303 WeakPolarHBondContact O-CB 3.13Å; K300-D303 PolarHBondContact O-N 3.16Å; K300-V304 WeakPolarHBondContact O-CG2 3.48Å; K300-V304 PolarHBondContact O-N 3.49Å; K300-E691 IonicContact NZ-OE1 2.69Å
301	P	98.2	Very high	97.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-52.1	-44.4	177.6	-30.5	37.8	0	0	0	114.1	M253 L255 A261 D303 V304 I305 F687 P690	M253-P301 HydrophobicContact CE-CB 3.98Å; M253-P301 HydrophobicContact SD-CB 3.85Å; L255-P301 HydrophobicContact CD1-CG 3.86Å; A261-P301 HydrophobicContact CB-CB 4.38Å; A261-P301 HydrophobicContact CB-CG 3.88Å; P301-D303 VanDerWaalsContact C-N 3.32Å; P301-D303 PolarHBondContact O-N 3.2Å; P301-V304 WeakPolarHBondContact O-CB 3.41Å; P301-V304 PolarHBondContact O-N 3.43Å; P301-I305 WeakPolarHBondContact O-CG1 3.32Å; P301-I305 PolarHBondContact O-N 3.09Å; P301-F687 HydrophobicContact CB-CB 4.12Å; P301-F687 HydrophobicContact CB-CD1 3.85Å; P301-F687 HydrophobicContact CB-CG 4.16Å; P301-F687 HydrophobicContact CG-CD1 4.46Å; P301-P690 HydrophobicContact CG-CB 3.95Å
302	L	97.8	Very high	97.9	Very high	31 Å²	31	18.9 Å²	18.9	16%	0.162	10%	0.099	C	C	.	.	H	α-helix	trans	-67.4	-30.9	177.9	-64.8	175.5	0	0	0	112.7	K300 I305 N306 T680 R683 F687	K300-L302 VanDerWaalsContact C-N 3.3Å; K300-L302 PolarHBondContact O-N 3.36Å; L302-I305 HydrophobicContact CD2-CD1 4.45Å; L302-I305 PolarHBondContact O-N 2.8Å; L302-N306 WeakPolarHBondContact O-CB 3.44Å; L302-N306 PolarHBondContact O-N 3.09Å; L302-T680 HydrophobicContact CD2-CG2 4.48Å; L302-R683 VanDerWaalsContact CD1-NH1 3.34Å; L302-F687 HydrophobicContact CD2-CB 4.12Å; L302-F687 HydrophobicContact CG-CB 4.36Å
303	D	97.9	Very high	97.8	Very high	62 Å²	62	19.9 Å²	19.9	33%	0.332	11%	0.11	S	C	.	.	H	α-helix	trans	-67.3	-41	173.4	-54.9	-36.6	0	0	0	110.6	P299 K300 P301 N306 Q307	P299-D303 WeakPolarHBondContact CD-OD2 3.45Å; K300-D303 VanDerWaalsContact CB-OD2 3.24Å; K300-D303 WeakPolarHBondContact CB-OD2 3.33Å; K300-D303 PolarHBondContact N-OD2 2.82Å; K300-D303 WeakPolarHBondContact O-CA 3.38Å; K300-D303 WeakPolarHBondContact O-CB 3.13Å; K300-D303 PolarHBondContact O-N 3.16Å; P301-D303 VanDerWaalsContact C-N 3.32Å; P301-D303 PolarHBondContact O-N 3.2Å; D303-N306 PolarHBondContact O-N 3.36Å; D303-Q307 WeakPolarHBondContact O-CB 3.14Å; D303-Q307 VanDerWaalsContact O-CD 3.32Å; D303-Q307 WeakPolarHBondContact O-CG 3.31Å; D303-Q307 PolarHBondContact O-N 3Å
304	V	98.6	Very high	97.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.8	-45.3	176	-179	0	0	0	0	110.5	F251 M253 A261 G263 F296 G298 K300 P301 Q307 Y308	F251-V304 HydrophobicContact CE2-CG1 4.46Å; F251-V304 HydrophobicContact CZ-CG1 3.9Å; M253-V304 HydrophobicContact CG-CG1 4.2Å; M253-V304 HydrophobicContact SD-CB 4.04Å; M253-V304 HydrophobicContact SD-CG1 4.16Å; A261-V304 HydrophobicContact CB-CG2 4.01Å; A261-V304 VanDerWaalsContact O-CG2 3.31Å; A261-V304 WeakPolarHBondContact O-CG2 3.49Å; G263-V304 VanDerWaalsContact N-CG1 3.29Å; F296-V304 HydrophobicContact CB-CG1 4.04Å; G298-V304 VanDerWaalsContact CA-CG2 3.41Å; K300-V304 WeakPolarHBondContact O-CG2 3.48Å; K300-V304 PolarHBondContact O-N 3.49Å; P301-V304 WeakPolarHBondContact O-CB 3.41Å; P301-V304 PolarHBondContact O-N 3.43Å; V304-Q307 PolarHBondContact O-N 3.44Å; V304-Y308 PolarHBondContact O-N 3.43Å
305	I	98.4	Very high	97.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.3	-44.9	178.1	-65.7	168.9	0	0	0	110.3	M253 P301 L302 Q307 Y308 Y309 M594 T680 F687	M253-I305 HydrophobicContact CE-CD1 4.41Å; M253-I305 HydrophobicContact SD-CG1 4.38Å; P301-I305 WeakPolarHBondContact O-CG1 3.32Å; P301-I305 PolarHBondContact O-N 3.09Å; L302-I305 HydrophobicContact CD2-CD1 4.45Å; L302-I305 PolarHBondContact O-N 2.8Å; I305-Q307 VanDerWaalsContact C-N 3.34Å; I305-Q307 PolarHBondContact O-N 3.46Å; I305-Y308 WeakPolarHBondContact O-CB 3.45Å; I305-Y308 PolarHBondContact O-N 2.76Å; I305-Y308 VanDerWaalsContact O-N 3.15Å; I305-Y309 HydrophobicContact CG2-CD1 3.78Å; I305-Y309 HydrophobicContact CG2-CE1 3.47Å; I305-Y309 VanDerWaalsContact CG2-CE1 3.47Å; I305-Y309 WeakPolarHBondContact O-CD1 3.45Å; I305-Y309 PolarHBondContact O-N 3.4Å; I305-M594 HydrophobicContact CD1-CB 4.36Å; I305-M594 HydrophobicContact CD1-CG 3.97Å; I305-M594 HydrophobicContact CG1-CG 3.96Å; I305-T680 HydrophobicContact CD1-CG2 4.01Å; I305-T680 HydrophobicContact CG2-CG2 3.94Å; I305-F687 HydrophobicContact CD1-CD2 3.98Å; I305-F687 HydrophobicContact CD1-CE2 4.05Å
306	N	98	Very high	97.5	Very high	40 Å²	40	24.4 Å²	24.4	21%	0.214	14%	0.136	C	C	.	.	H	α-helix	trans	-59.9	-43.5	175.1	179.5	50.1	0	0	0	111.9	L302 D303 Y308 Y309 D310 N677 G678	L302-N306 WeakPolarHBondContact O-CB 3.44Å; L302-N306 PolarHBondContact O-N 3.09Å; D303-N306 PolarHBondContact O-N 3.36Å; N306-Y308 VanDerWaalsContact C-N 3.26Å; N306-Y308 PolarHBondContact O-N 3.24Å; N306-Y309 CarbonylContact O-C 3.47Å; N306-Y309 WeakPolarHBondContact O-CA 3.37Å; N306-Y309 WeakPolarHBondContact O-CB 3.42Å; N306-Y309 PolarHBondContact O-N 2.87Å; N306-Y309 VanDerWaalsContact O-N 3.09Å; N306-D310 PolarHBondContact O-N 3.09Å; N306-N677 PolarHBondContact OD1-O 3.31Å; N306-G678 WeakPolarHBondContact OD1-CA 3.34Å; N306-G678 PolarHBondContact OD1-N 3.46Å
307	Q	98.3	Very high	97.4	Very high	14 Å²	14	24.6 Å²	24.6	7%	0.065	14%	0.137	C	C	.	.	H	α-helix	trans	-62.6	-33	176.8	-70	160.3	16.2	0	0	113	F296 T297 G298 D303 V304 I305 L311	F296-Q307 HydrophobicContact CB-CB 4.05Å; F296-Q307 HydrophobicContact CD1-CB 3.69Å; F296-Q307 WeakPolarHBondContact CE1-O 3.43Å; F296-Q307 HydrophobicContact CG-CB 4.2Å; T297-Q307 VanDerWaalsContact N-OE1 3.15Å; G298-Q307 PolarHBondContact O-NE2 2.78Å; D303-Q307 WeakPolarHBondContact O-CB 3.14Å; D303-Q307 VanDerWaalsContact O-CD 3.32Å; D303-Q307 WeakPolarHBondContact O-CG 3.31Å; D303-Q307 PolarHBondContact O-N 3Å; V304-Q307 PolarHBondContact O-N 3.44Å; I305-Q307 VanDerWaalsContact C-N 3.34Å; I305-Q307 PolarHBondContact O-N 3.46Å; Q307-L311 PolarHBondContact O-N 3.48Å
308	Y	98.6	Very high	97.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-69.3	-44.3	171.6	175.3	-120.6	0	0	0	111.2	F251 F265 F296 V304 I305 N306 D310 L311 I312 A562	F251-Y308 HydrophobicContact CB-CE1 4.23Å; F251-Y308 HydrophobicContact CB-CE2 4.2Å; F251-Y308 HydrophobicContact CD1-CD1 4.3Å; F251-Y308 HydrophobicContact CD1-CE1 4.44Å; F251-Y308 HydrophobicContact CD2-CD1 4.27Å; F251-Y308 AromaticContact CD2-CD2 3.78Å; F251-Y308 HydrophobicContact CD2-CD2 3.78Å; F251-Y308 HydrophobicContact CD2-CE2 4.08Å; F251-Y308 AromaticContact CD2-CG 3.88Å; F251-Y308 HydrophobicContact CD2-CG 3.88Å; F251-Y308 HydrophobicContact CE1-CD1 4.49Å; F251-Y308 HydrophobicContact CE2-CD1 4.44Å; F251-Y308 HydrophobicContact CE2-CD2 4.13Å; F251-Y308 AromaticContact CE2-CG 3.9Å; F251-Y308 HydrophobicContact CE2-CG 3.9Å; F251-Y308 HydrophobicContact CG-CD1 4.17Å; F251-Y308 HydrophobicContact CG-CD2 4.31Å; F251-Y308 HydrophobicContact CG-CE1 4.16Å; F251-Y308 HydrophobicContact CG-CE2 4.29Å; F251-Y308 HydrophobicContact CG-CG 4.25Å; F251-Y308 HydrophobicContact CZ-CG 4.32Å; F265-Y308 HydrophobicContact CB-CD2 4.27Å; F265-Y308 HydrophobicContact CB-CE2 4.08Å; F265-Y308 HydrophobicContact CD1-CE2 4.07Å; F265-Y308 AromaticContact CD2-CE2 3.83Å; F265-Y308 HydrophobicContact CD2-CE2 3.83Å; F265-Y308 HydrophobicContact CE1-CE2 4.48Å; F265-Y308 HydrophobicContact CE2-CE2 4.28Å; F265-Y308 HydrophobicContact CG-CD2 4.36Å; F265-Y308 AromaticContact CG-CE2 3.73Å; F265-Y308 HydrophobicContact CG-CE2 3.73Å; F296-Y308 AromaticContact CE2-CD2 3.84Å; F296-Y308 HydrophobicContact CE2-CD2 3.84Å; F296-Y308 HydrophobicContact CE2-CG 4.42Å; F296-Y308 AromaticContact CZ-CD2 3.74Å; F296-Y308 HydrophobicContact CZ-CD2 3.74Å; F296-Y308 HydrophobicContact CZ-CG 4.41Å; V304-Y308 PolarHBondContact O-N 3.43Å; I305-Y308 WeakPolarHBondContact O-CB 3.45Å; I305-Y308 PolarHBondContact O-N 2.76Å; I305-Y308 VanDerWaalsContact O-N 3.15Å; N306-Y308 VanDerWaalsContact C-N 3.26Å; N306-Y308 PolarHBondContact O-N 3.24Å; Y308-D310 VanDerWaalsContact C-N 3.35Å; Y308-D310 PolarHBondContact O-N 3.21Å; Y308-L311 WeakPolarHBondContact O-CA 3.12Å; Y308-L311 WeakPolarHBondContact O-CB 3.34Å; Y308-L311 PolarHBondContact O-N 3.36Å; Y308-I312 HydrophobicContact CD1-CD1 4.11Å; Y308-I312 HydrophobicContact CD1-CG1 4.37Å; Y308-I312 HydrophobicContact CD2-CG2 4.09Å; Y308-I312 HydrophobicContact CE1-CD1 3.46Å; Y308-I312 VanDerWaalsContact CE1-CD1 3.46Å; Y308-I312 HydrophobicContact CE1-CG1 4.1Å; Y308-I312 HydrophobicContact CE2-CD1 4.29Å; Y308-I312 HydrophobicContact CE2-CG1 4.29Å; Y308-I312 HydrophobicContact CE2-CG2 3.49Å; Y308-I312 VanDerWaalsContact CE2-CG2 3.49Å; Y308-I312 WeakPolarHBondContact O-CG1 3.33Å; Y308-I312 PolarHBondContact O-N 3.26Å; Y308-A562 WeakPolarHBondContact OH-CB 3.29Å
309	Y	97.8	Very high	97.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.7	-42.1	174.8	-82.3	41	0	0	0	111.6	I305 N306 L311 I312 G313 H314 P315 N593 G596	I305-Y309 HydrophobicContact CG2-CD1 3.78Å; I305-Y309 HydrophobicContact CG2-CE1 3.47Å; I305-Y309 VanDerWaalsContact CG2-CE1 3.47Å; I305-Y309 WeakPolarHBondContact O-CD1 3.45Å; I305-Y309 PolarHBondContact O-N 3.4Å; N306-Y309 CarbonylContact O-C 3.47Å; N306-Y309 WeakPolarHBondContact O-CA 3.37Å; N306-Y309 WeakPolarHBondContact O-CB 3.42Å; N306-Y309 PolarHBondContact O-N 2.87Å; N306-Y309 VanDerWaalsContact O-N 3.09Å; Y309-L311 PolarHBondContact O-N 2.8Å; Y309-L311 VanDerWaalsContact O-N 3.09Å; Y309-I312 PolarHBondContact O-N 2.9Å; Y309-G313 CarbonylContact O-C 3.49Å; Y309-G313 VanDerWaalsContact O-C 3.3Å; Y309-G313 VanDerWaalsContact O-CA 3.29Å; Y309-G313 WeakPolarHBondContact O-CA 3.36Å; Y309-G313 PolarHBondContact O-N 2.86Å; Y309-H314 VanDerWaalsContact C-CD2 3.41Å; Y309-H314 PolarHBondContact O-CD2 3.18Å; Y309-P315 HydrophobicContact CD2-CG 4.43Å; Y309-P315 HydrophobicContact CE2-CG 3.88Å; Y309-N593 PolarHBondContact OH-O 3.03Å; Y309-G596 VanDerWaalsContact OH-CA 3.23Å; Y309-G596 WeakPolarHBondContact OH-CA 3.26Å; Y309-G596 PolarHBondContact OH-N 2.98Å
310	D	97.8	Very high	97.6	Very high	75 Å²	75	22.7 Å²	22.7	40%	0.401	12%	0.124	S	C	.	.	H	α-helix	trans	-57	-25.7	173.7	-79.1	-40.6	0	0	0	112	G146 N306 Y308 H314	G146-D310 VanDerWaalsContact CA-O 3.31Å; G146-D310 WeakPolarHBondContact CA-O 3.4Å; N306-D310 PolarHBondContact O-N 3.09Å; Y308-D310 VanDerWaalsContact C-N 3.35Å; Y308-D310 PolarHBondContact O-N 3.21Å; D310-H314 PolarHBondContact N-NE2 3.41Å; D310-H314 IonicContact OD1-CE1 3.73Å; D310-H314 IonicContact OD1-NE2 3.18Å; D310-H314 PolarHBondContact OD1-NE2 3.12Å
311	L	98.1	Very high	97.7	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-85.6	-49.4	175	178.3	70.3	0	0	0	112.6	L145 G146 F265 F294 F296 Q307 Y308 Y309	L145-L311 CarbonylContact C-O 3.54Å; L145-L311 WeakPolarHBondContact CA-O 3.43Å; L145-L311 HydrophobicContact CB-CD1 4.08Å; L145-L311 HydrophobicContact CD2-CD1 4.11Å; L145-L311 HydrophobicContact CD2-CG 4.25Å; G146-L311 PolarHBondContact N-O 3.36Å; F265-L311 HydrophobicContact CD1-CD2 3.82Å; F265-L311 HydrophobicContact CE1-CD2 4.32Å; F294-L311 HydrophobicContact CB-CD2 3.91Å; F294-L311 HydrophobicContact CD1-CD1 3.79Å; F294-L311 HydrophobicContact CD1-CD2 3.47Å; F294-L311 VanDerWaalsContact CD1-CD2 3.47Å; F294-L311 HydrophobicContact CD1-CG 4.29Å; F294-L311 HydrophobicContact CD2-CD2 3.81Å; F294-L311 HydrophobicContact CE1-CD1 3.48Å; F294-L311 VanDerWaalsContact CE1-CD1 3.48Å; F294-L311 HydrophobicContact CE1-CD2 3.84Å; F294-L311 HydrophobicContact CE1-CG 4.32Å; F294-L311 HydrophobicContact CE2-CD2 4.18Å; F294-L311 HydrophobicContact CG-CD2 3.44Å; F294-L311 VanDerWaalsContact CG-CD2 3.44Å; F294-L311 HydrophobicContact CZ-CD1 4.1Å; F294-L311 HydrophobicContact CZ-CD2 4.18Å; F296-L311 HydrophobicContact CE1-CB 4.13Å; F296-L311 HydrophobicContact CE1-CD2 4.14Å; F296-L311 HydrophobicContact CZ-CB 4.29Å; F296-L311 HydrophobicContact CZ-CD2 3.68Å; Q307-L311 PolarHBondContact O-N 3.48Å; Y308-L311 WeakPolarHBondContact O-CA 3.12Å; Y308-L311 WeakPolarHBondContact O-CB 3.34Å; Y308-L311 PolarHBondContact O-N 3.36Å; Y309-L311 PolarHBondContact O-N 2.8Å; Y309-L311 VanDerWaalsContact O-N 3.09Å
312	I	97.6	Very high	97.7	Very high	6 Å²	6	18.2 Å²	18.2	3%	0.031	10%	0.104	C	C	.	.	H	α-helix	trans	-91.8	-8	-171.6	62.5	153.1	0	0	0	114.2	F265 Y308 Y309 A562 L566 F595	F265-I312 HydrophobicContact CE1-CG2 4.44Å; Y308-I312 HydrophobicContact CD1-CD1 4.11Å; Y308-I312 HydrophobicContact CD1-CG1 4.37Å; Y308-I312 HydrophobicContact CD2-CG2 4.09Å; Y308-I312 HydrophobicContact CE1-CD1 3.46Å; Y308-I312 VanDerWaalsContact CE1-CD1 3.46Å; Y308-I312 HydrophobicContact CE1-CG1 4.1Å; Y308-I312 HydrophobicContact CE2-CD1 4.29Å; Y308-I312 HydrophobicContact CE2-CG1 4.29Å; Y308-I312 HydrophobicContact CE2-CG2 3.49Å; Y308-I312 VanDerWaalsContact CE2-CG2 3.49Å; Y308-I312 WeakPolarHBondContact O-CG1 3.33Å; Y308-I312 PolarHBondContact O-N 3.26Å; Y309-I312 PolarHBondContact O-N 2.9Å; I312-A562 HydrophobicContact CG2-CB 4.25Å; I312-L566 WeakPolarHBondContact O-CD1 3.24Å; I312-F595 WeakPolarHBondContact CD1-O 3.23Å
313	G	96.9	Very high	97.7	Very high	23 Å²	23	16.7 Å²	16.7	24%	0.237	10%	0.096	C	C	.	.			trans	99.3	139.9	-176.2	0	0	0	0	0	113.2	Y309	Y309-G313 CarbonylContact O-C 3.49Å; Y309-G313 VanDerWaalsContact O-C 3.3Å; Y309-G313 VanDerWaalsContact O-CA 3.29Å; Y309-G313 WeakPolarHBondContact O-CA 3.36Å; Y309-G313 PolarHBondContact O-N 2.86Å
314	H	96.9	Very high	97.8	Very high	36 Å²	36	13.8 Å²	13.8	17%	0.167	8%	0.081	C	C	.	.	P	Polyproline II helix	trans	-79.7	132.4	177.9	-68.8	-159.4	0	0	0	109.9	Y309 D310 L566 Y675 G678	Y309-H314 VanDerWaalsContact C-CD2 3.41Å; Y309-H314 PolarHBondContact O-CD2 3.18Å; D310-H314 PolarHBondContact N-NE2 3.41Å; D310-H314 IonicContact OD1-CE1 3.73Å; D310-H314 IonicContact OD1-NE2 3.18Å; D310-H314 PolarHBondContact OD1-NE2 3.12Å; H314-L566 VanDerWaalsContact O-CD2 3.29Å; H314-L566 WeakPolarHBondContact O-CD2 3.45Å; H314-Y675 VanDerWaalsContact CB-O 3.29Å; H314-Y675 WeakPolarHBondContact CB-O 3.37Å; H314-Y675 PolarHBondContact ND1-O 2.81Å; H314-G678 PolarHBondContact CE1-N 2.74Å
315	P	96.7	Very high	97.8	Very high	3 Å²	3	14 Å²	14	2%	0.019	8%	0.081	C	C	.	.	P	Polyproline II helix	trans	-62.1	136.8	-179.9	26.2	-33.7	0	0	0	110.5	Y309 G565 P598 Y675	Y309-P315 HydrophobicContact CD2-CG 4.43Å; Y309-P315 HydrophobicContact CE2-CG 3.88Å; P315-G565 WeakPolarHBondContact CA-O 3.33Å; P315-G565 WeakPolarHBondContact CB-O 3.31Å; P315-P598 HydrophobicContact CB-CG 3.94Å; P315-P598 HydrophobicContact CG-CG 3.56Å; P315-Y675 WeakPolarHBondContact O-CA 3.16Å; P315-Y675 WeakPolarHBondContact O-CB 3.37Å
316	P	95.8	Very high	97.8	Very high	57 Å²	57	14 Å²	14	37%	0.37	8%	0.081	S	C	.	.	P	Polyproline II helix	trans	-66.6	162.7	176.8	30.7	-35.4	0	0	0	110.9	G565	P316-G565 VanDerWaalsContact CD-O 3.3Å; P316-G565 WeakPolarHBondContact CD-O 3.46Å
317	I	97.1	Very high	97.8	Very high	5 Å²	5	12.2 Å²	12.2	3%	0.026	7%	0.072	C	C	.	.	P	Polyproline II helix	trans	-70.7	124.2	172.3	-51.5	178.7	0	0	0	107.5	R552 Y668 Y672 Y675 F809 L818	I317-R552 WeakPolarHBondContact O-CD 3.15Å; I317-Y668 HydrophobicContact CG2-CD2 4.17Å; I317-Y668 HydrophobicContact CG2-CE2 3.51Å; I317-Y672 HydrophobicContact CD1-CD2 3.79Å; I317-Y675 HydrophobicContact CD1-CD1 4.18Å; I317-Y675 HydrophobicContact CD1-CG 4.48Å; I317-Y675 HydrophobicContact CG1-CD1 4.18Å; I317-Y675 HydrophobicContact CG1-CG 3.98Å; I317-F809 HydrophobicContact CD1-CD1 4.45Å; I317-F809 HydrophobicContact CD1-CE1 3.69Å; I317-F809 HydrophobicContact CD1-CE2 3.94Å; I317-F809 HydrophobicContact CD1-CZ 3.4Å; I317-F809 HydrophobicContact CG2-CE1 4.14Å; I317-L818 HydrophobicContact CD1-CD1 4.47Å; I317-L818 HydrophobicContact CD1-CD2 3.96Å
318	P	97.3	Very high	97.8	Very high	15 Å²	15	12 Å²	12	10%	0.097	7%	0.072	C	C	.	.	P	Polyproline II helix	trans	-69.2	164	179.3	30.7	-35.7	0	0	0	110.7	L323 R552 Y668 F671	P318-L323 HydrophobicContact CG-CD2 4.29Å; P318-R552 PolarHBondContact O-NH1 3.36Å; P318-R552 VanDerWaalsContact O-NH1 3.11Å; P318-Y668 WeakPolarHBondContact O-CE2 3.39Å; P318-F671 VanDerWaalsContact CD-CD1 3.5Å; P318-F671 HydrophobicContact CG-CB 4.42Å; P318-F671 HydrophobicContact CG-CD1 3.8Å; P318-F671 HydrophobicContact CG-CD2 4.19Å; P318-F671 HydrophobicContact CG-CE1 4.03Å; P318-F671 HydrophobicContact CG-CE2 4.43Å; P318-F671 HydrophobicContact CG-CG 3.88Å; P318-F671 HydrophobicContact CG-CZ 4.34Å
319	P	97.8	Very high	97.8	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.013	8%	0.076	C	C	.	.	P	Polyproline II helix	trans	-65.9	138.1	168.3	27.9	-32.1	0	0	0	109.9	W321 S322 R552 F554 G813 D814	P319-W321 VanDerWaalsContact C-N 3.26Å; P319-W321 HydrophobicContact CG-CZ2 4.17Å; P319-W321 PolarHBondContact O-N 2.95Å; P319-S322 WeakPolarHBondContact O-CB 3.44Å; P319-S322 PolarHBondContact O-N 3.01Å; P319-S322 PolarHBondContact O-OG 2.88Å; P319-R552 HydrophobicContact CB-CB 4.17Å; P319-R552 HydrophobicContact CG-CB 4.38Å; P319-F554 HydrophobicContact CG-CB 4.05Å; P319-F554 HydrophobicContact CG-CD2 4.49Å; P319-G813 CarbonylContact C-O 3.5Å; P319-G813 VanDerWaalsContact CA-O 3.31Å; P319-G813 WeakPolarHBondContact CA-O 3.2Å; P319-D814 WeakPolarHBondContact CB-OD1 3.31Å
320	Y	98.1	Very high	97.8	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.008	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-57.6	-36.7	-171.4	-168.6	-86.4	0	0	0	112.9	S322 L323 L664 P665 Y668 Q768 T774 R778 W810 G813	Y320-S322 PolarHBondContact O-N 3.38Å; Y320-L323 WeakPolarHBondContact O-CB 3.06Å; Y320-L323 PolarHBondContact O-N 2.51Å; Y320-L323 VanDerWaalsContact O-N 3.1Å; Y320-L664 HydrophobicContact CE1-CB 4.26Å; Y320-L664 HydrophobicContact CE1-CD1 4.19Å; Y320-L664 HydrophobicContact CE2-CB 4.45Å; Y320-L664 WeakPolarHBondContact OH-CB 3.44Å; Y320-P665 WeakPolarHBondContact OH-CD 3.2Å; Y320-Y668 AromaticContact CD2-CD1 3.58Å; Y320-Y668 HydrophobicContact CD2-CD1 3.58Å; Y320-Y668 AromaticContact CD2-CD2 3.68Å; Y320-Y668 HydrophobicContact CD2-CD2 3.68Å; Y320-Y668 AromaticContact CD2-CE1 3.78Å; Y320-Y668 HydrophobicContact CD2-CE1 3.78Å; Y320-Y668 AromaticContact CD2-CE2 3.87Å; Y320-Y668 HydrophobicContact CD2-CE2 3.87Å; Y320-Y668 AromaticContact CD2-CG 3.5Å; Y320-Y668 HydrophobicContact CD2-CG 3.5Å; Y320-Y668 VanDerWaalsContact CD2-CG 3.5Å; Y320-Y668 AromaticContact CD2-CZ 3.9Å; Y320-Y668 AromaticContact CE2-CD1 3.86Å; Y320-Y668 HydrophobicContact CE2-CD1 3.86Å; Y320-Y668 HydrophobicContact CE2-CD2 4.33Å; Y320-Y668 HydrophobicContact CE2-CE1 4.44Å; Y320-Y668 AromaticContact CE2-CG 3.77Å; Y320-Y668 HydrophobicContact CE2-CG 3.77Å; Y320-Q768 PolarHBondContact OH-NE2 3.2Å; Y320-T774 HydrophobicContact CD1-CG2 3.74Å; Y320-T774 HydrophobicContact CE1-CG2 3.68Å; Y320-R778 HydrophobicContact CD1-CG 4.13Å; Y320-R778 HydrophobicContact CE1-CG 3.85Å; Y320-W810 HydrophobicContact CD2-CH2 4.48Å; Y320-W810 HydrophobicContact CD2-CZ3 4.31Å; Y320-W810 HydrophobicContact CE1-CH2 4.43Å; Y320-W810 HydrophobicContact CE2-CE3 4.43Å; Y320-W810 AromaticContact CE2-CH2 3.68Å; Y320-W810 HydrophobicContact CE2-CH2 3.68Å; Y320-W810 AromaticContact CE2-CZ3 3.46Å; Y320-W810 HydrophobicContact CE2-CZ3 3.46Å; Y320-W810 VanDerWaalsContact CE2-CZ3 3.46Å; Y320-W810 AromaticContact CZ-CH2 3.63Å; Y320-W810 AromaticContact CZ-CZ3 3.84Å; Y320-G813 PolarHBondContact N-O 3.39Å
321	W	98	Very high	97.8	Very high	10 Å²	10	12 Å²	12	4%	0.038	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-60.6	-28.6	177.6	68.4	-100.9	0	0	0	112.8	P319 L323 G324 H326 D353 A354 R393 V395 D469 F554 T774	P319-W321 VanDerWaalsContact C-N 3.26Å; P319-W321 HydrophobicContact CG-CZ2 4.17Å; P319-W321 PolarHBondContact O-N 2.95Å; W321-L323 PolarHBondContact O-N 2.82Å; W321-G324 PolarHBondContact O-N 2.8Å; W321-H326 AromaticContact CZ3-CE1 3.89Å; W321-D353 WeakPolarHBondContact O-CB 3.46Å; W321-A354 HydrophobicContact CE3-CB 4.49Å; W321-A354 HydrophobicContact CZ3-CB 4.1Å; W321-R393 HydrophobicContact CB-CG 4.29Å; W321-R393 HydrophobicContact CD2-CB 4.28Å; W321-R393 HydrophobicContact CD2-CG 3.7Å; W321-R393 HydrophobicContact CE3-CB 3.93Å; W321-R393 HydrophobicContact CE3-CG 3.79Å; W321-R393 HydrophobicContact CG-CG 3.92Å; W321-R393 HydrophobicContact CZ3-CB 4.07Å; W321-R393 HydrophobicContact CZ3-CG 4.4Å; W321-V395 HydrophobicContact CH2-CG2 4.01Å; W321-V395 HydrophobicContact CZ3-CG2 4.24Å; W321-D469 HydrophobicContact CZ2-CB 4.27Å; W321-F554 HydrophobicContact CH2-CB 3.72Å; W321-F554 AromaticContact CH2-CD1 3.5Å; W321-F554 HydrophobicContact CH2-CD1 3.5Å; W321-F554 VanDerWaalsContact CH2-CD1 3.5Å; W321-F554 HydrophobicContact CH2-CD2 4.42Å; W321-F554 HydrophobicContact CH2-CE1 4.23Å; W321-F554 AromaticContact CH2-CG 3.6Å; W321-F554 HydrophobicContact CH2-CG 3.6Å; W321-F554 HydrophobicContact CZ2-CB 3.55Å; W321-F554 HydrophobicContact CZ2-CD1 4.25Å; W321-F554 AromaticContact CZ2-CG 3.93Å; W321-F554 HydrophobicContact CZ2-CG 3.93Å; W321-F554 HydrophobicContact CZ3-CD1 4.25Å; W321-F554 HydrophobicContact CZ3-CG 4.44Å; W321-T774 WeakPolarHBondContact CA-OG1 3.25Å
322	S	98.5	Very high	97.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-70.6	-14.4	179.6	71	0	0	0	0	113.5	P319 Y320 G324 H326 F554 M599	P319-S322 WeakPolarHBondContact O-CB 3.44Å; P319-S322 PolarHBondContact O-N 3.01Å; P319-S322 PolarHBondContact O-OG 2.88Å; Y320-S322 PolarHBondContact O-N 3.38Å; S322-G324 VanDerWaalsContact C-N 3.3Å; S322-H326 PolarHBondContact O-NE2 2.85Å; S322-F554 VanDerWaalsContact CB-CE2 3.42Å; S322-M599 WeakPolarHBondContact O-CE 3.04Å
323	L	98.7	Very high	97.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-81.3	-10.8	171.8	-57.9	176.3	0	0	0	112.6	P318 Y320 W321 M599 R660 L664 Y668 F671	P318-L323 HydrophobicContact CG-CD2 4.29Å; Y320-L323 WeakPolarHBondContact O-CB 3.06Å; Y320-L323 PolarHBondContact O-N 2.51Å; Y320-L323 VanDerWaalsContact O-N 3.1Å; W321-L323 PolarHBondContact O-N 2.82Å; L323-M599 HydrophobicContact CD2-CE 4.09Å; L323-M599 HydrophobicContact CD2-SD 3.94Å; L323-R660 PolarHBondContact O-NE 2.76Å; L323-R660 PolarHBondContact O-NH2 2.75Å; L323-L664 HydrophobicContact CB-CD2 3.69Å; L323-L664 WeakPolarHBondContact O-CD2 3.36Å; L323-Y668 HydrophobicContact CD1-CD2 3.65Å; L323-Y668 HydrophobicContact CD1-CG 4.16Å; L323-F671 HydrophobicContact CD2-CD2 3.85Å; L323-F671 HydrophobicContact CD2-CE2 3.37Å; L323-F671 HydrophobicContact CD2-CZ 4.11Å
324	G	98.6	Very high	97.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-64.9	-166.8	177.4	0	0	0	0	0	112.8	W321 S322 H326	W321-G324 PolarHBondContact O-N 2.8Å; S322-G324 VanDerWaalsContact C-N 3.3Å; G324-H326 PolarHBondContact O-CD2 2.86Å
325	F	98.8	Very high	97.8	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.018	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	138	173.5	-179.5	-106.2	0	0	0	110.8	I327 I350 I352 D353 I604 A629 N631 P642 I657 Y661	F325-I327 HydrophobicContact CD1-CG2 4.24Å; F325-I327 HydrophobicContact CE1-CG2 3.66Å; F325-I327 HydrophobicContact CZ-CG2 4.46Å; F325-I350 HydrophobicContact CD1-CG2 4.36Å; F325-I350 HydrophobicContact CE1-CG2 4.39Å; F325-I352 HydrophobicContact CD1-CG1 4.21Å; F325-I352 WeakPolarHBondContact O-CA 3.23Å; F325-D353 PolarHBondContact O-N 2.93Å; F325-I604 HydrophobicContact CD2-CD1 4.49Å; F325-I604 HydrophobicContact CE2-CD1 3.95Å; F325-A629 HydrophobicContact CD2-CB 4.4Å; F325-N631 HydrophobicContact CE2-CB 4.21Å; F325-N631 HydrophobicContact CZ-CB 3.68Å; F325-P642 HydrophobicContact CE1-CG 3.96Å; F325-P642 HydrophobicContact CZ-CG 4.08Å; F325-I657 HydrophobicContact CB-CG2 3.84Å; F325-I657 HydrophobicContact CD1-CD1 3.79Å; F325-I657 HydrophobicContact CD2-CD1 4.03Å; F325-I657 HydrophobicContact CD2-CG1 4.19Å; F325-I657 HydrophobicContact CE1-CD1 3.73Å; F325-I657 HydrophobicContact CE2-CD1 3.98Å; F325-I657 HydrophobicContact CE2-CG1 4.41Å; F325-I657 HydrophobicContact CG-CD1 3.93Å; F325-I657 HydrophobicContact CG-CG1 4.28Å; F325-I657 HydrophobicContact CG-CG2 4.17Å; F325-I657 HydrophobicContact CZ-CD1 3.82Å; F325-Y661 HydrophobicContact CB-CE2 4Å; F325-Y661 PolarHBondContact N-OH 2.96Å
326	H	98.8	Very high	97.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	138.1	-170.9	-63.2	-131.7	0	0	0	109.8	W321 S322 G324 A354 W356 F628 A629 R630 N631	W321-H326 AromaticContact CZ3-CE1 3.89Å; S322-H326 PolarHBondContact O-NE2 2.85Å; G324-H326 PolarHBondContact O-CD2 2.86Å; H326-A354 WeakPolarHBondContact CA-O 3.37Å; H326-W356 AromaticContact CG-NE1 3.57Å; H326-W356 AromaticContact ND1-CE2 3.4Å; H326-W356 AromaticContact ND1-CZ2 3.3Å; H326-W356 VanDerWaalsContact ND1-CZ2 3.3Å; H326-W356 WeakPolarHBondContact ND1-CZ2 2.97Å; H326-W356 AromaticContact ND1-NE1 2.98Å; H326-W356 PolarHBondContact ND1-NE1 2.89Å; H326-F628 AromaticContact ND1-CE2 3.86Å; H326-A629 PolarHBondContact CD2-O 3.31Å; H326-A629 PolarHBondContact N-O 3.09Å; H326-R630 HydrophobicContact CB-CB 3.92Å; H326-R630 HydrophobicContact CB-CG 3.91Å; H326-R630 WeakPolarHBondContact O-CA 3.25Å; H326-N631 PolarHBondContact O-N 2.8Å
327	I	98.5	Very high	98	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.021	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.8	175.1	57.6	161.3	0	0	0	111.3	F325 V341 L342 I352 A354 Q355 W356	F325-I327 HydrophobicContact CD1-CG2 4.24Å; F325-I327 HydrophobicContact CE1-CG2 3.66Å; F325-I327 HydrophobicContact CZ-CG2 4.46Å; I327-V341 HydrophobicContact CD1-CG1 4.29Å; I327-L342 HydrophobicContact CD1-CB 4.43Å; I327-L342 HydrophobicContact CD1-CD1 3.99Å; I327-I352 HydrophobicContact CD1-CD1 3.9Å; I327-I352 HydrophobicContact CD1-CG2 4.36Å; I327-I352 HydrophobicContact CG1-CD1 4.3Å; I327-I352 HydrophobicContact CG1-CG2 3.93Å; I327-I352 HydrophobicContact CG2-CD1 4.03Å; I327-I352 HydrophobicContact CG2-CG1 4.23Å; I327-A354 PolarHBondContact N-O 3.44Å; I327-Q355 HydrophobicContact CD1-CG 4.23Å; I327-Q355 HydrophobicContact CG1-CB 4.29Å; I327-Q355 HydrophobicContact CG1-CG 4.23Å; I327-W356 PolarHBondContact O-N 3.22Å
328	C	98.6	Very high	98	Very high	9 Å²	9	21.9 Å²	21.9	6%	0.061	11%	0.108	C	C	.	.			trans	-151.2	161.9	179.5	-166.2	0	0	0	0	110.3	W356 R630 N631 H632	C328-W356 HydrophobicContact CB-CB 3.59Å; C328-W356 HydrophobicContact CB-CG 4.11Å; C328-W356 WeakPolarHBondContact SG-CB 3.3Å; C328-R630 HydrophobicContact CB-CG 4.37Å; C328-N631 PolarHBondContact N-O 2.93Å; C328-H632 HydrophobicContact CB-CB 4.05Å; C328-H632 WeakPolarHBondContact CB-ND1 3.48Å; C328-H632 WeakPolarHBondContact O-CA 3.29Å; C328-H632 PolarHBondContact SG-ND1 3.38Å
329	R	98	Very high	98.1	Very high	23 Å²	23	25 Å²	25	9%	0.087	12%	0.12	C	C	.	.			trans	-161.3	152.2	158.3	70	-179.9	-58.8	173.5	19.8	109.9	M332 E337 D358 H632 N633 S637 N639	R329-M332 HydrophobicContact CG-CE 3.7Å; R329-M332 HydrophobicContact CG-CG 3.52Å; R329-M332 HydrophobicContact CG-SD 4.46Å; R329-E337 IonicContact NH1-OE1 2.7Å; R329-E337 PolarHBondContact NH1-OE1 3.12Å; R329-D358 WeakPolarHBondContact O-CB 3.26Å; R329-H632 WeakPolarHBondContact CA-ND1 3.37Å; R329-N633 WeakPolarHBondContact CA-O 3.4Å; R329-N633 HydrophobicContact CB-CB 4.09Å; R329-S637 PolarHBondContact NH2-O 3.15Å; R329-S637 VanDerWaalsContact NH2-O 3.09Å; R329-N639 PolarHBondContact NH1-OD1 3.35Å
330	Y	98.2	Very high	98.1	Very high	37 Å²	37	30.7 Å²	30.7	15%	0.145	15%	0.147	C	C	.	.	S	Bend	trans	-82.8	137.2	160.7	-179.2	-155.1	0	0	0	109.6	D358 I359 W437 N633 A634 H635	Y330-D358 VanDerWaalsContact CB-OD2 3.28Å; Y330-D358 WeakPolarHBondContact CB-OD2 3.28Å; Y330-I359 HydrophobicContact CD2-CG1 4.15Å; Y330-I359 HydrophobicContact CE2-CD1 3.88Å; Y330-I359 HydrophobicContact CE2-CG1 3.78Å; Y330-W437 HydrophobicContact CE1-CH2 4.38Å; Y330-N633 PolarHBondContact N-O 2.99Å; Y330-A634 CarbonylContact O-C 3.49Å; Y330-H635 HydrophobicContact CD1-CB 3.36Å; Y330-H635 HydrophobicContact CD2-CB 4.18Å; Y330-H635 HydrophobicContact CE1-CB 3.36Å; Y330-H635 HydrophobicContact CE2-CB 4.17Å; Y330-H635 HydrophobicContact CG-CB 3.75Å; Y330-H635 WeakPolarHBondContact O-CA 3.41Å; Y330-H635 PolarHBondContact O-N 2.96Å
331	G	96.6	Very high	98.1	Very high	14 Å²	14	31 Å²	31	14%	0.144	15%	0.148	C	C	.	.			trans	100	23	173.5	0	0	0	0	0	115.2	K333 D360 H635	G331-K333 PolarHBondContact O-N 2.7Å; G331-D360 WeakPolarHBondContact CA-OD1 3.48Å; G331-D360 WeakPolarHBondContact CA-OD2 3.37Å; G331-D360 PolarHBondContact N-OD1 3.14Å; G331-D360 PolarHBondContact N-OD2 2.76Å; G331-H635 WeakPolarHBondContact CA-ND1 3.29Å
332	M	96.7	Very high	98.1	Very high	8 Å²	8	30.5 Å²	30.5	4%	0.039	15%	0.147	C	C	.	.			trans	-64.5	128.2	171.9	-68.5	-164.9	-177.4	0	0	110.2	R329 N334 A338 D360 F375	R329-M332 HydrophobicContact CG-CE 3.7Å; R329-M332 HydrophobicContact CG-CG 3.52Å; R329-M332 HydrophobicContact CG-SD 4.46Å; M332-N334 PolarHBondContact O-N 3.01Å; M332-A338 HydrophobicContact SD-CB 3.58Å; M332-A338 VanDerWaalsContact SD-CB 3.58Å; M332-D360 PolarHBondContact N-OD2 2.84Å; M332-F375 HydrophobicContact CB-CZ 4.19Å
333	K	96.7	Very high	98.1	Very high	154 Å²	154	35.3 Å²	35.3	67%	0.67	17%	0.167	S	C	*	.			trans	-65.3	-42.3	-176.1	-65.3	171.6	-170.3	176	0	111.9	G331 E337 R374	G331-K333 PolarHBondContact O-N 2.7Å; K333-E337 VanDerWaalsContact CB-OE2 3.28Å; K333-E337 WeakPolarHBondContact CB-OE2 3.5Å; K333-E337 VanDerWaalsContact CG-OE2 3.23Å; K333-E337 WeakPolarHBondContact CG-OE2 3.29Å; K333-E337 PolarHBondContact N-OE2 3.36Å; K333-R374 WeakPolarHBondContact O-CD 3.46Å; K333-R374 PolarHBondContact O-NH1 2.67Å
334	N	98.3	Very high	98	Very high	58 Å²	58	38.5 Å²	38.5	31%	0.31	18%	0.18	S	C	.	.	S	Bend	trans	-165.5	178.6	-175.8	57.1	41.3	0	0	0	110.7	M332 D336 E337 A338 R374	M332-N334 PolarHBondContact O-N 3.01Å; N334-D336 PolarHBondContact O-N 3.07Å; N334-D336 WeakPolarHBondContact OD1-CB 3.3Å; N334-D336 PolarHBondContact OD1-N 2.92Å; N334-E337 PolarHBondContact O-N 3.3Å; N334-E337 PolarHBondContact OD1-N 3.37Å; N334-A338 PolarHBondContact O-N 3.02Å; N334-R374 CarbonylContact C-O 3.52Å; N334-R374 VanDerWaalsContact CA-O 3.32Å; N334-R374 WeakPolarHBondContact CA-O 3.5Å; N334-R374 HydrophobicContact CB-CB 4.19Å; N334-R374 WeakPolarHBondContact CB-O 3.26Å
335	L	98.3	Very high	98	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-63.4	-26.4	178.3	-175.9	64.1	0	0	0	113.8	A338 K339 F357 R374 F375 G376 I378 Y381	L335-A338 WeakPolarHBondContact O-CB 3.42Å; L335-A338 PolarHBondContact O-N 2.84Å; L335-K339 WeakPolarHBondContact O-CG 2.97Å; L335-K339 PolarHBondContact O-N 3.4Å; L335-F357 HydrophobicContact CD1-CE1 4.21Å; L335-F357 HydrophobicContact CD1-CZ 4.41Å; L335-R374 PolarHBondContact N-O 2.93Å; L335-F375 HydrophobicContact CB-CD1 4.17Å; L335-G376 WeakPolarHBondContact CD2-O 3.18Å; L335-I378 HydrophobicContact CD1-CB 4.21Å; L335-I378 HydrophobicContact CD1-CG1 4.16Å; L335-I378 HydrophobicContact CD2-CB 4.32Å; L335-Y381 HydrophobicContact CD1-CD1 3.67Å; L335-Y381 HydrophobicContact CD1-CE1 4.29Å; L335-Y381 HydrophobicContact CD1-CG 4.05Å
336	D	98.3	Very high	98	Very high	88 Å²	88	40.3 Å²	40.3	47%	0.471	19%	0.191	S	C	.	.	H	α-helix	trans	-71.9	-38.6	179.6	-68.3	-25.1	0	0	0	111.7	N334 A338 K339 E340	N334-D336 PolarHBondContact O-N 3.07Å; N334-D336 WeakPolarHBondContact OD1-CB 3.3Å; N334-D336 PolarHBondContact OD1-N 2.92Å; D336-A338 VanDerWaalsContact C-N 3.3Å; D336-A338 PolarHBondContact O-N 2.87Å; D336-K339 WeakPolarHBondContact O-CB 3.23Å; D336-K339 PolarHBondContact O-N 2.99Å; D336-K339 IonicContact OD1-NZ 2.71Å; D336-K339 PolarHBondContact OD1-NZ 3.47Å; D336-E340 WeakPolarHBondContact O-CG 2.94Å; D336-E340 PolarHBondContact O-N 3.1Å
337	E	97.8	Very high	97.9	Very high	27 Å²	27	45.2 Å²	45.2	13%	0.126	22%	0.217	C	C	.	.	H	α-helix	trans	-59.5	-42.5	170	-175	178	177.3	0	0	111.1	R329 K333 N334 K339 E340 V341	R329-E337 IonicContact NH1-OE1 2.7Å; R329-E337 PolarHBondContact NH1-OE1 3.12Å; K333-E337 VanDerWaalsContact CB-OE2 3.28Å; K333-E337 WeakPolarHBondContact CB-OE2 3.5Å; K333-E337 VanDerWaalsContact CG-OE2 3.23Å; K333-E337 WeakPolarHBondContact CG-OE2 3.29Å; K333-E337 PolarHBondContact N-OE2 3.36Å; N334-E337 PolarHBondContact O-N 3.3Å; N334-E337 PolarHBondContact OD1-N 3.37Å; E337-K339 VanDerWaalsContact C-N 3.32Å; E337-K339 PolarHBondContact O-N 2.87Å; E337-E340 PolarHBondContact O-N 3.11Å; E337-V341 HydrophobicContact CG-CG2 4.34Å; E337-V341 VanDerWaalsContact O-CG2 3.28Å; E337-V341 WeakPolarHBondContact O-CG2 3.43Å; E337-V341 PolarHBondContact O-N 3.33Å
338	A	97.8	Very high	97.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.6	-42.1	176.2	0	0	0	0	0	112.2	M332 N334 L335 D336 L342 Q355 F357	M332-A338 HydrophobicContact SD-CB 3.58Å; M332-A338 VanDerWaalsContact SD-CB 3.58Å; N334-A338 PolarHBondContact O-N 3.02Å; L335-A338 WeakPolarHBondContact O-CB 3.42Å; L335-A338 PolarHBondContact O-N 2.84Å; D336-A338 VanDerWaalsContact C-N 3.3Å; D336-A338 PolarHBondContact O-N 2.87Å; A338-L342 PolarHBondContact O-N 3.34Å; A338-Q355 PolarHBondContact O-NE2 2.86Å; A338-F357 HydrophobicContact CB-CE1 3.92Å
339	K	98.2	Very high	97.8	Very high	80 Å²	80	47.7 Å²	47.7	35%	0.348	24%	0.242	S	C	.	.	H	α-helix	trans	-62.2	-44.9	174.6	-70.8	167.2	-168.8	153.9	0	111.8	L335 D336 E337 K343 Y381	L335-K339 WeakPolarHBondContact O-CG 2.97Å; L335-K339 PolarHBondContact O-N 3.4Å; D336-K339 WeakPolarHBondContact O-CB 3.23Å; D336-K339 PolarHBondContact O-N 2.99Å; D336-K339 IonicContact OD1-NZ 2.71Å; D336-K339 PolarHBondContact OD1-NZ 3.47Å; E337-K339 VanDerWaalsContact C-N 3.32Å; E337-K339 PolarHBondContact O-N 2.87Å; K339-K343 WeakPolarHBondContact O-CB 3.36Å; K339-K343 PolarHBondContact O-N 3.07Å; K339-Y381 HydrophobicContact CB-CE2 4.26Å; K339-Y381 HydrophobicContact CD-CD2 4.31Å; K339-Y381 HydrophobicContact CD-CE2 4.45Å; K339-Y381 HydrophobicContact CG-CD2 3.64Å; K339-Y381 HydrophobicContact CG-CE2 3.38Å; K339-Y381 HydrophobicContact CG-CG 4.39Å
340	E	98	Very high	97.8	Very high	123 Å²	123	46.9 Å²	46.9	58%	0.575	24%	0.24	S	C	*	.	H	α-helix	trans	-63.7	-46.2	-179.2	-74.6	175.2	-177.6	0	0	111.9	D336 E337 K343 R344	D336-E340 WeakPolarHBondContact O-CG 2.94Å; D336-E340 PolarHBondContact O-N 3.1Å; E337-E340 PolarHBondContact O-N 3.11Å; E340-K343 PolarHBondContact O-N 2.85Å; E340-R344 WeakPolarHBondContact O-CG 3.47Å; E340-R344 PolarHBondContact O-N 3.49Å
341	V	98.1	Very high	97.8	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-58.6	-49.6	177.3	173.6	0	0	0	0	110.7	I327 E337 R344 N345 D641	I327-V341 HydrophobicContact CD1-CG1 4.29Å; E337-V341 HydrophobicContact CG-CG2 4.34Å; E337-V341 VanDerWaalsContact O-CG2 3.28Å; E337-V341 WeakPolarHBondContact O-CG2 3.43Å; E337-V341 PolarHBondContact O-N 3.33Å; V341-R344 VanDerWaalsContact O-CG 3.28Å; V341-R344 WeakPolarHBondContact O-CG 3.13Å; V341-N345 PolarHBondContact O-N 3.31Å; V341-N345 PolarHBondContact O-ND2 2.87Å; V341-D641 HydrophobicContact CG1-CB 4.32Å
342	L	98.2	Very high	97.9	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-48.3	177.2	179	67.4	0	0	0	111	I327 A338 R344 N345 V346 I352 Y381 L386 Y390 V392	I327-L342 HydrophobicContact CD1-CB 4.43Å; I327-L342 HydrophobicContact CD1-CD1 3.99Å; A338-L342 PolarHBondContact O-N 3.34Å; L342-R344 PolarHBondContact O-N 3.27Å; L342-N345 PolarHBondContact O-N 3Å; L342-V346 HydrophobicContact CD1-CG2 3.89Å; L342-V346 HydrophobicContact CG-CG2 4.08Å; L342-V346 WeakPolarHBondContact O-CG2 3.25Å; L342-V346 PolarHBondContact O-N 2.82Å; L342-I352 HydrophobicContact CD1-CD1 3.98Å; L342-I352 HydrophobicContact CD1-CG2 4.17Å; L342-Y381 VanDerWaalsContact CD2-OH 3.29Å; L342-Y381 WeakPolarHBondContact CD2-OH 3.22Å; L342-L386 HydrophobicContact CD2-CD2 3.2Å; L342-Y390 HydrophobicContact CD2-CD2 3.9Å; L342-Y390 HydrophobicContact CD2-CE2 4.34Å; L342-V392 HydrophobicContact CD1-CG2 4.48Å
343	K	98.2	Very high	98	Very high	100 Å²	100	44.5 Å²	44.5	44%	0.435	23%	0.227	S	C	.	.	H	α-helix	trans	-58.1	-47.6	-175.5	175.6	167.2	169.2	42.7	0	111.7	K339 E340 N345 V346 D347	K339-K343 WeakPolarHBondContact O-CB 3.36Å; K339-K343 PolarHBondContact O-N 3.07Å; E340-K343 PolarHBondContact O-N 2.85Å; K343-N345 VanDerWaalsContact C-N 3.3Å; K343-N345 PolarHBondContact O-N 2.85Å; K343-V346 PolarHBondContact O-N 2.88Å; K343-D347 WeakPolarHBondContact CE-OD2 3.46Å; K343-D347 WeakPolarHBondContact CG-OD2 3.41Å; K343-D347 VanDerWaalsContact NZ-CG 3.31Å; K343-D347 IonicContact NZ-OD1 3.42Å; K343-D347 PolarHBondContact NZ-OD1 3.47Å; K343-D347 VanDerWaalsContact NZ-OD1 3.15Å; K343-D347 IonicContact NZ-OD2 3.5Å; K343-D347 PolarHBondContact NZ-OD2 2.59Å; K343-D347 WeakPolarHBondContact O-CB 3.33Å; K343-D347 PolarHBondContact O-N 2.97Å
344	R	97.9	Very high	98.1	Very high	68 Å²	68	37.2 Å²	37.2	26%	0.257	20%	0.195	S	C	.	.	H	α-helix	trans	-62.3	-37.2	-179.4	66.6	172.5	174.6	-124.1	6.2	112.8	E340 V341 L342 A348 N639 D641 A643	E340-R344 WeakPolarHBondContact O-CG 3.47Å; E340-R344 PolarHBondContact O-N 3.49Å; V341-R344 VanDerWaalsContact O-CG 3.28Å; V341-R344 WeakPolarHBondContact O-CG 3.13Å; L342-R344 PolarHBondContact O-N 3.27Å; R344-A348 VanDerWaalsContact O-CB 3.32Å; R344-A348 WeakPolarHBondContact O-CB 3.32Å; R344-A348 PolarHBondContact O-N 2.8Å; R344-N639 PolarHBondContact NH2-ND2 2.85Å; R344-D641 IonicContact CZ-OD1 3.75Å; R344-D641 IonicContact CZ-OD2 3.01Å; R344-D641 VanDerWaalsContact CZ-OD2 3.3Å; R344-D641 IonicContact NE-OD1 3.18Å; R344-D641 IonicContact NE-OD2 2.81Å; R344-D641 PolarHBondContact NE-OD2 2.75Å; R344-D641 IonicContact NH2-OD1 3.19Å; R344-D641 PolarHBondContact NH2-OD1 2.84Å; R344-D641 IonicContact NH2-OD2 3.67Å; R344-D641 PolarHBondContact NH2-OD2 3.38Å; R344-D641 VanDerWaalsContact NH2-OD2 3.1Å; R344-A643 HydrophobicContact CB-CB 4.4Å; R344-A643 HydrophobicContact CG-CB 4.15Å; R344-A643 WeakPolarHBondContact O-CB 3.21Å
345	N	98.6	Very high	98.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-72.2	-41.8	178.4	-75.9	-80.1	0	0	0	111.9	V341 L342 K343 A348 G349 I350 I352 D641 P642 A643	V341-N345 PolarHBondContact O-N 3.31Å; V341-N345 PolarHBondContact O-ND2 2.87Å; L342-N345 PolarHBondContact O-N 3Å; K343-N345 VanDerWaalsContact C-N 3.3Å; K343-N345 PolarHBondContact O-N 2.85Å; N345-A348 PolarHBondContact O-N 3.47Å; N345-G349 PolarHBondContact O-N 2.77Å; N345-I350 HydrophobicContact CB-CB 4.13Å; N345-I350 HydrophobicContact CB-CG1 4.29Å; N345-I350 WeakPolarHBondContact O-CB 3.36Å; N345-I350 WeakPolarHBondContact O-CG1 3.41Å; N345-I350 PolarHBondContact O-N 2.81Å; N345-I352 HydrophobicContact CB-CD1 3.5Å; N345-I352 VanDerWaalsContact CB-CD1 3.5Å; N345-D641 PolarHBondContact ND2-OD2 2.9Å; N345-P642 WeakPolarHBondContact OD1-CB 3.3Å; N345-P642 VanDerWaalsContact OD1-CD 3.3Å; N345-P642 WeakPolarHBondContact OD1-CD 3.28Å; N345-A643 HydrophobicContact CB-CB 4.34Å; N345-A643 WeakPolarHBondContact OD1-CB 3.5Å; N345-A643 PolarHBondContact OD1-N 2.98Å
346	V	97.3	Very high	98.1	Very high	42 Å²	42	34.2 Å²	34.2	26%	0.255	18%	0.179	S	C	.	.	H	α-helix	trans	-63	-44.4	174.4	173.4	0	0	0	0	111.1	L342 K343 A348 G349 Y390	L342-V346 HydrophobicContact CD1-CG2 3.89Å; L342-V346 HydrophobicContact CG-CG2 4.08Å; L342-V346 WeakPolarHBondContact O-CG2 3.25Å; L342-V346 PolarHBondContact O-N 2.82Å; K343-V346 PolarHBondContact O-N 2.88Å; V346-A348 VanDerWaalsContact C-N 3.27Å; V346-A348 PolarHBondContact O-N 2.93Å; V346-G349 WeakPolarHBondContact O-CA 3.4Å; V346-G349 PolarHBondContact O-N 2.86Å; V346-Y390 HydrophobicContact CB-CE1 4.34Å; V346-Y390 HydrophobicContact CG1-CD1 3.8Å; V346-Y390 HydrophobicContact CG1-CE1 3.59Å; V346-Y390 HydrophobicContact CG2-CD1 4.31Å; V346-Y390 HydrophobicContact CG2-CE1 4.49Å
347	D	97.6	Very high	98.1	Very high	102 Å²	102	30.1 Å²	30.1	55%	0.545	16%	0.157	S	C	.	.	H	α-helix	trans	-62.5	-34	177.2	-68	-15.2	0	0	0	111.7	K343 G349	K343-D347 WeakPolarHBondContact CE-OD2 3.46Å; K343-D347 WeakPolarHBondContact CG-OD2 3.41Å; K343-D347 VanDerWaalsContact NZ-CG 3.31Å; K343-D347 IonicContact NZ-OD1 3.42Å; K343-D347 PolarHBondContact NZ-OD1 3.47Å; K343-D347 VanDerWaalsContact NZ-OD1 3.15Å; K343-D347 IonicContact NZ-OD2 3.5Å; K343-D347 PolarHBondContact NZ-OD2 2.59Å; K343-D347 WeakPolarHBondContact O-CB 3.33Å; K343-D347 PolarHBondContact O-N 2.97Å; D347-G349 PolarHBondContact O-N 3.08Å
348	A	98	Very high	98.2	Very high	27 Å²	27	29.4 Å²	29.4	22%	0.223	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-6.3	173.7	0	0	0	0	0	114.1	R344 N345 V346 I350 A643 T650 K654	R344-A348 VanDerWaalsContact O-CB 3.32Å; R344-A348 WeakPolarHBondContact O-CB 3.32Å; R344-A348 PolarHBondContact O-N 2.8Å; N345-A348 PolarHBondContact O-N 3.47Å; V346-A348 VanDerWaalsContact C-N 3.27Å; V346-A348 PolarHBondContact O-N 2.93Å; A348-I350 HydrophobicContact CB-CG1 4.21Å; A348-A643 HydrophobicContact CB-CB 3.74Å; A348-T650 HydrophobicContact CB-CG2 3.91Å; A348-K654 WeakPolarHBondContact O-CD 3.38Å; A348-K654 PolarHBondContact O-NZ 3.07Å
349	G	97.2	Very high	98.2	Very high	38 Å²	38	29.4 Å²	29.4	39%	0.392	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	25.9	-179.2	0	0	0	0	0	114	N345 V346 D347 P351 K654	N345-G349 PolarHBondContact O-N 2.77Å; V346-G349 WeakPolarHBondContact O-CA 3.4Å; V346-G349 PolarHBondContact O-N 2.86Å; D347-G349 PolarHBondContact O-N 3.08Å; G349-P351 WeakPolarHBondContact O-CD 3.28Å; G349-K654 WeakPolarHBondContact O-CD 3.46Å
350	I	98.4	Very high	98.2	Very high	6 Å²	6	26 Å²	26	3%	0.031	14%	0.14	C	C	.	.			trans	-77.7	121.9	174.1	-54.2	-65.7	0	0	0	108.8	F325 N345 A348 I352 P642 T650 K654 I657	F325-I350 HydrophobicContact CD1-CG2 4.36Å; F325-I350 HydrophobicContact CE1-CG2 4.39Å; N345-I350 HydrophobicContact CB-CB 4.13Å; N345-I350 HydrophobicContact CB-CG1 4.29Å; N345-I350 WeakPolarHBondContact O-CB 3.36Å; N345-I350 WeakPolarHBondContact O-CG1 3.41Å; N345-I350 PolarHBondContact O-N 2.81Å; A348-I350 HydrophobicContact CB-CG1 4.21Å; I350-I352 HydrophobicContact CG2-CD1 4.43Å; I350-I352 HydrophobicContact CG2-CG1 4.13Å; I350-I352 PolarHBondContact O-N 2.84Å; I350-P642 HydrophobicContact CD1-CB 3.78Å; I350-P642 HydrophobicContact CG1-CB 3.94Å; I350-P642 HydrophobicContact CG2-CB 4.29Å; I350-P642 HydrophobicContact CG2-CG 4.14Å; I350-T650 HydrophobicContact CD1-CG2 4.29Å; I350-K654 HydrophobicContact CD1-CB 3.59Å; I350-K654 HydrophobicContact CD1-CD 4.33Å; I350-K654 HydrophobicContact CD1-CG 4.07Å; I350-I657 HydrophobicContact CG2-CD1 3.86Å
351	P	98.2	Very high	98.2	Very high	6 Å²	6	20.2 Å²	20.2	4%	0.039	11%	0.113	C	C	.	.			trans	-68.6	128.6	174.3	-18.6	34.7	0	0	0	109.8	G349 I657 R658 Y661 A771	G349-P351 WeakPolarHBondContact O-CD 3.28Å; P351-I657 HydrophobicContact CB-CG2 4.16Å; P351-I657 HydrophobicContact CG-CG2 4.05Å; P351-R658 HydrophobicContact CG-CG 4.09Å; P351-Y661 HydrophobicContact CB-CD1 4.22Å; P351-Y661 HydrophobicContact CB-CD2 3.81Å; P351-Y661 HydrophobicContact CB-CE1 3.89Å; P351-Y661 HydrophobicContact CB-CE2 3.45Å; P351-Y661 VanDerWaalsContact CB-CE2 3.45Å; P351-Y661 HydrophobicContact CB-CG 4.16Å; P351-Y661 VanDerWaalsContact CB-CZ 3.47Å; P351-Y661 HydrophobicContact CG-CD2 4.29Å; P351-Y661 HydrophobicContact CG-CE2 4.35Å; P351-A771 WeakPolarHBondContact CG-O 3.39Å
352	I	98.5	Very high	98.2	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.015	11%	0.111	C	C	.	.			trans	-138.5	123.4	-179.6	-65.9	168.3	0	0	0	107.8	F325 I327 L342 N345 I350 V392 T773	F325-I352 HydrophobicContact CD1-CG1 4.21Å; F325-I352 WeakPolarHBondContact O-CA 3.23Å; I327-I352 HydrophobicContact CD1-CD1 3.9Å; I327-I352 HydrophobicContact CD1-CG2 4.36Å; I327-I352 HydrophobicContact CG1-CD1 4.3Å; I327-I352 HydrophobicContact CG1-CG2 3.93Å; I327-I352 HydrophobicContact CG2-CD1 4.03Å; I327-I352 HydrophobicContact CG2-CG1 4.23Å; L342-I352 HydrophobicContact CD1-CD1 3.98Å; L342-I352 HydrophobicContact CD1-CG2 4.17Å; N345-I352 HydrophobicContact CB-CD1 3.5Å; N345-I352 VanDerWaalsContact CB-CD1 3.5Å; I350-I352 HydrophobicContact CG2-CD1 4.43Å; I350-I352 HydrophobicContact CG2-CG1 4.13Å; I350-I352 PolarHBondContact O-N 2.84Å; I352-V392 HydrophobicContact CG2-CG1 4.44Å; I352-V392 WeakPolarHBondContact O-CG2 3.41Å; I352-T773 WeakPolarHBondContact O-CG2 3.33Å
353	D	98.7	Very high	98.2	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.127	C	C	.	.	S	Bend	trans	-100.1	-22.6	177.4	-90.7	-105.1	0	0	0	113.2	W321 F325 R393 Y661 T773 T774	W321-D353 WeakPolarHBondContact O-CB 3.46Å; F325-D353 PolarHBondContact O-N 2.93Å; D353-R393 WeakPolarHBondContact O-CB 3.4Å; D353-R393 PolarHBondContact O-N 3.19Å; D353-Y661 PolarHBondContact N-OH 3.49Å; D353-Y661 WeakPolarHBondContact OD2-CE1 3.49Å; D353-Y661 PolarHBondContact OD2-OH 2.77Å; D353-T773 WeakPolarHBondContact OD2-CA 3.27Å; D353-T774 VanDerWaalsContact OD1-CB 3.23Å; D353-T774 WeakPolarHBondContact OD1-CB 3.41Å; D353-T774 VanDerWaalsContact OD1-CG2 3.29Å; D353-T774 WeakPolarHBondContact OD1-CG2 3.32Å; D353-T774 PolarHBondContact OD1-N 3.44Å; D353-T774 PolarHBondContact OD1-OG1 3.31Å; D353-T774 PolarHBondContact OD2-N 3.47Å; D353-T774 VanDerWaalsContact OD2-N 3.09Å
354	A	98.6	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	135.3	177.9	0	0	0	0	0	112.9	W321 H326 I327 R393	W321-A354 HydrophobicContact CE3-CB 4.49Å; W321-A354 HydrophobicContact CZ3-CB 4.1Å; H326-A354 WeakPolarHBondContact CA-O 3.37Å; I327-A354 PolarHBondContact N-O 3.44Å; A354-R393 VanDerWaalsContact CA-O 3.31Å; A354-R393 WeakPolarHBondContact CA-O 3.47Å; A354-R393 HydrophobicContact CB-CB 4.25Å
355	Q	98.7	Very high	98	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	134	163.8	-174.4	174.4	45.2	0	0	109.6	I327 A338 Y381 L386 V392 R393 T394 V395	I327-Q355 HydrophobicContact CD1-CG 4.23Å; I327-Q355 HydrophobicContact CG1-CB 4.29Å; I327-Q355 HydrophobicContact CG1-CG 4.23Å; A338-Q355 PolarHBondContact O-NE2 2.86Å; Q355-Y381 VanDerWaalsContact OE1-CE1 3.25Å; Q355-Y381 PolarHBondContact OE1-OH 3.45Å; Q355-L386 HydrophobicContact CB-CD1 4.35Å; Q355-L386 HydrophobicContact CB-CD2 4.41Å; Q355-V392 HydrophobicContact CB-CG1 4.16Å; Q355-R393 PolarHBondContact N-O 2.85Å; Q355-T394 WeakPolarHBondContact O-CA 3.49Å; Q355-V395 PolarHBondContact O-N 3.47Å
356	W	98.7	Very high	98	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	148.1	-173	-65.5	50.3	0	0	0	110.3	H326 I327 C328 V395 W472 F554 L556 F628	H326-W356 AromaticContact CG-NE1 3.57Å; H326-W356 AromaticContact ND1-CE2 3.4Å; H326-W356 AromaticContact ND1-CZ2 3.3Å; H326-W356 VanDerWaalsContact ND1-CZ2 3.3Å; H326-W356 WeakPolarHBondContact ND1-CZ2 2.97Å; H326-W356 AromaticContact ND1-NE1 2.98Å; H326-W356 PolarHBondContact ND1-NE1 2.89Å; I327-W356 PolarHBondContact O-N 3.22Å; C328-W356 HydrophobicContact CB-CB 3.59Å; C328-W356 HydrophobicContact CB-CG 4.11Å; C328-W356 WeakPolarHBondContact SG-CB 3.3Å; W356-V395 VanDerWaalsContact CA-O 3.25Å; W356-V395 WeakPolarHBondContact CA-O 3.5Å; W356-V395 HydrophobicContact CD2-CB 3.61Å; W356-V395 HydrophobicContact CD2-CG1 3.76Å; W356-V395 HydrophobicContact CD2-CG2 4.28Å; W356-V395 HydrophobicContact CE3-CB 4Å; W356-V395 HydrophobicContact CE3-CG1 3.6Å; W356-V395 HydrophobicContact CG-CB 3.94Å; W356-V395 HydrophobicContact CH2-CB 4.4Å; W356-V395 HydrophobicContact CH2-CG1 3.78Å; W356-V395 HydrophobicContact CZ2-CB 4.06Å; W356-V395 HydrophobicContact CZ2-CG1 3.94Å; W356-V395 HydrophobicContact CZ2-CG2 3.93Å; W356-V395 HydrophobicContact CZ3-CB 4.4Å; W356-V395 HydrophobicContact CZ3-CG1 3.64Å; W356-W472 HydrophobicContact CE3-CB 4.12Å; W356-W472 HydrophobicContact CE3-CD2 4.21Å; W356-W472 AromaticContact CE3-CE3 3.82Å; W356-W472 HydrophobicContact CE3-CE3 3.82Å; W356-W472 HydrophobicContact CE3-CG 4.35Å; W356-W472 HydrophobicContact CZ3-CB 3.67Å; W356-W472 HydrophobicContact CZ3-CD2 4.11Å; W356-W472 HydrophobicContact CZ3-CE3 4.21Å; W356-W472 AromaticContact CZ3-CG 3.89Å; W356-W472 HydrophobicContact CZ3-CG 3.89Å; W356-F554 AromaticContact CH2-CE1 3.71Å; W356-F554 HydrophobicContact CH2-CE1 3.71Å; W356-F554 HydrophobicContact CH2-CZ 4.14Å; W356-F554 AromaticContact CZ2-CE1 3.63Å; W356-F554 HydrophobicContact CZ2-CE1 3.63Å; W356-F554 HydrophobicContact CZ2-CZ 4.06Å; W356-L556 HydrophobicContact CH2-CB 3.92Å; W356-L556 HydrophobicContact CH2-CD2 3.57Å; W356-L556 HydrophobicContact CH2-CG 4.26Å; W356-L556 HydrophobicContact CZ3-CB 4.23Å; W356-L556 HydrophobicContact CZ3-CD2 3.52Å; W356-L556 HydrophobicContact CZ3-CG 4.48Å; W356-F628 HydrophobicContact CH2-CE2 4.12Å; W356-F628 AromaticContact CH2-CZ 3.65Å; W356-F628 HydrophobicContact CH2-CZ 3.65Å; W356-F628 AromaticContact CZ2-CE2 3.86Å; W356-F628 HydrophobicContact CZ2-CE2 3.86Å; W356-F628 AromaticContact CZ2-CZ 3.75Å; W356-F628 HydrophobicContact CZ2-CZ 3.75Å
357	F	98.6	Very high	98	Very high	2 Å²	2	21 Å²	21	1%	0.009	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.9	173.1	-62.3	-91	0	0	0	110	L335 A338 Y361 F375 I378 Y381 L386 T394 V395 L396 I397	L335-F357 HydrophobicContact CD1-CE1 4.21Å; L335-F357 HydrophobicContact CD1-CZ 4.41Å; A338-F357 HydrophobicContact CB-CE1 3.92Å; F357-Y361 HydrophobicContact CB-CD1 3.57Å; F357-Y361 HydrophobicContact CB-CE1 4.3Å; F357-Y361 HydrophobicContact CB-CG 4.21Å; F357-F375 HydrophobicContact CD1-CD1 4.49Å; F357-F375 HydrophobicContact CD1-CE1 4.23Å; F357-F375 HydrophobicContact CE1-CE1 4.45Å; F357-I378 HydrophobicContact CD1-CD1 3.93Å; F357-I378 HydrophobicContact CD2-CD1 4.22Å; F357-I378 HydrophobicContact CE1-CD1 3.81Å; F357-I378 HydrophobicContact CE1-CG1 4.48Å; F357-I378 HydrophobicContact CE2-CD1 4.11Å; F357-I378 HydrophobicContact CG-CD1 4.12Å; F357-I378 HydrophobicContact CZ-CD1 3.9Å; F357-I378 HydrophobicContact CZ-CG1 4.23Å; F357-Y381 HydrophobicContact CZ-CD1 4.09Å; F357-Y381 AromaticContact CZ-CE1 3.95Å; F357-Y381 HydrophobicContact CZ-CE1 3.95Å; F357-L386 HydrophobicContact CE2-CD1 4.37Å; F357-T394 HydrophobicContact CD2-CG2 3.85Å; F357-T394 HydrophobicContact CE2-CG2 3.82Å; F357-V395 PolarHBondContact N-O 2.79Å; F357-L396 HydrophobicContact CB-CD2 3.84Å; F357-L396 HydrophobicContact CD2-CD2 3.75Å; F357-L396 HydrophobicContact CG-CD2 4.16Å; F357-I397 PolarHBondContact O-N 2.84Å
358	D	98.6	Very high	98	Very high	11 Å²	11	17.3 Å²	17.3	6%	0.059	11%	0.105	C	C	.	.			trans	-75.1	179.8	169.2	-149.3	-47.9	0	0	0	110.7	R329 Y330 D360 Y361 W472 H632	R329-D358 WeakPolarHBondContact O-CB 3.26Å; Y330-D358 VanDerWaalsContact CB-OD2 3.28Å; Y330-D358 WeakPolarHBondContact CB-OD2 3.28Å; D358-D360 PolarHBondContact O-N 3.47Å; D358-Y361 WeakPolarHBondContact O-CD1 3.31Å; D358-Y361 PolarHBondContact O-N 3.47Å; D358-W472 HydrophobicContact CB-CZ3 4.35Å; D358-W472 WeakPolarHBondContact OD2-CH2 3.39Å; D358-H632 IonicContact OD2-CE1 3.86Å; D358-H632 PolarHBondContact OD2-CE1 2.9Å; D358-H632 IonicContact OD2-NE2 3.06Å
359	I	98.4	Very high	98	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-55.3	-14	-171.5	63.4	176.5	0	0	0	114.1	Y330 Y361 M362 Y365 I397 W437	Y330-I359 HydrophobicContact CD2-CG1 4.15Å; Y330-I359 HydrophobicContact CE2-CD1 3.88Å; Y330-I359 HydrophobicContact CE2-CG1 3.78Å; I359-Y361 PolarHBondContact O-N 3.27Å; I359-M362 HydrophobicContact CB-SD 4.39Å; I359-M362 HydrophobicContact CG2-CE 4.29Å; I359-M362 HydrophobicContact CG2-SD 4.41Å; I359-M362 WeakPolarHBondContact O-CB 2.93Å; I359-M362 PolarHBondContact O-N 3.32Å; I359-M362 VanDerWaalsContact O-N 3.09Å; I359-Y365 HydrophobicContact CB-CD1 3.97Å; I359-Y365 HydrophobicContact CD1-CD1 3.73Å; I359-Y365 HydrophobicContact CD1-CE1 4.04Å; I359-Y365 HydrophobicContact CD1-CG 4.48Å; I359-Y365 HydrophobicContact CG1-CD1 3.79Å; I359-Y365 HydrophobicContact CG1-CE1 4.08Å; I359-I397 HydrophobicContact CB-CG2 4.39Å; I359-I397 HydrophobicContact CG2-CD1 4.08Å; I359-I397 HydrophobicContact CG2-CG2 3.67Å; I359-I397 VanDerWaalsContact N-CG2 3.26Å; I359-W437 HydrophobicContact CD1-CB 4.12Å; I359-W437 HydrophobicContact CD1-CD2 3.56Å; I359-W437 HydrophobicContact CD1-CE3 3.99Å; I359-W437 HydrophobicContact CD1-CG 3.62Å
360	D	98.2	Very high	98	Very high	9 Å²	9	16.2 Å²	16.2	5%	0.048	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-52	-35.3	175.5	-56.6	-59.9	0	0	0	113.1	G331 M332 D358 M362 R374 F375	G331-D360 WeakPolarHBondContact CA-OD1 3.48Å; G331-D360 WeakPolarHBondContact CA-OD2 3.37Å; G331-D360 PolarHBondContact N-OD1 3.14Å; G331-D360 PolarHBondContact N-OD2 2.76Å; M332-D360 PolarHBondContact N-OD2 2.84Å; D358-D360 PolarHBondContact O-N 3.47Å; D360-M362 PolarHBondContact O-N 3.07Å; D360-R374 PolarHBondContact O-NH2 3.37Å; D360-F375 VanDerWaalsContact C-CE2 3.48Å; D360-F375 HydrophobicContact CB-CE2 3.94Å; D360-F375 HydrophobicContact CB-CZ 3.75Å; D360-F375 WeakPolarHBondContact O-CD2 3.47Å; D360-F375 WeakPolarHBondContact O-CE2 3.42Å
361	Y	98.4	Very high	98	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-70.4	-21.3	-177.6	80.1	-97	0	0	0	113.3	F357 D358 I359 S369 V370 D371 L396 I397 I398 F462	F357-Y361 HydrophobicContact CB-CD1 3.57Å; F357-Y361 HydrophobicContact CB-CE1 4.3Å; F357-Y361 HydrophobicContact CB-CG 4.21Å; D358-Y361 WeakPolarHBondContact O-CD1 3.31Å; D358-Y361 PolarHBondContact O-N 3.47Å; I359-Y361 PolarHBondContact O-N 3.27Å; Y361-S369 WeakPolarHBondContact CE2-O 3.2Å; Y361-V370 HydrophobicContact CD2-CG2 4.5Å; Y361-V370 CarbonylContact O-C 3.6Å; Y361-V370 VanDerWaalsContact O-CA 3.31Å; Y361-V370 WeakPolarHBondContact O-CA 3.29Å; Y361-D371 PolarHBondContact O-N 2.82Å; Y361-L396 HydrophobicContact CD1-CD2 4.48Å; Y361-L396 HydrophobicContact CE1-CB 4.15Å; Y361-L396 HydrophobicContact CE1-CD2 4.27Å; Y361-I397 HydrophobicContact CE1-CG2 4.09Å; Y361-I397 PolarHBondContact OH-O 2.84Å; Y361-I398 VanDerWaalsContact OH-CD1 3.28Å; Y361-I398 WeakPolarHBondContact OH-CD1 3.4Å; Y361-F462 HydrophobicContact CE2-CE1 4.09Å; Y361-F462 AromaticContact CE2-CZ 3.86Å; Y361-F462 HydrophobicContact CE2-CZ 3.86Å
362	M	98.1	Very high	97.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-78.5	147.5	-172.2	-61.5	178.4	-172.8	0	0	112	I359 D360 A364 I397 I398	I359-M362 HydrophobicContact CB-SD 4.39Å; I359-M362 HydrophobicContact CG2-CE 4.29Å; I359-M362 HydrophobicContact CG2-SD 4.41Å; I359-M362 WeakPolarHBondContact O-CB 2.93Å; I359-M362 PolarHBondContact O-N 3.32Å; I359-M362 VanDerWaalsContact O-N 3.09Å; D360-M362 PolarHBondContact O-N 3.07Å; M362-A364 PolarHBondContact O-N 2.7Å; M362-A364 VanDerWaalsContact O-N 3.16Å; M362-I397 HydrophobicContact CE-CG2 3.77Å; M362-I397 WeakPolarHBondContact CE-O 3.49Å; M362-I398 HydrophobicContact CE-CD1 4.43Å
363	D	96.6	Very high	97.9	Very high	66 Å²	66	31.3 Å²	31.3	35%	0.353	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-70.7	110.1	170.5	175.8	36	0	0	0	109.2	Y365 K366 S369	D363-Y365 PolarHBondContact O-N 3.46Å; D363-Y365 VanDerWaalsContact O-N 3.17Å; D363-K366 WeakPolarHBondContact O-CB 3.28Å; D363-K366 WeakPolarHBondContact O-CE 3.25Å; D363-K366 WeakPolarHBondContact O-CG 3.33Å; D363-K366 PolarHBondContact O-N 3.17Å; D363-K366 WeakPolarHBondContact OD2-CE 3.36Å; D363-K366 IonicContact OD2-NZ 3.39Å; D363-K366 PolarHBondContact OD2-NZ 2.87Å; D363-S369 WeakPolarHBondContact CB-OG 3.35Å; D363-S369 PolarHBondContact N-OG 3.09Å; D363-S369 PolarHBondContact O-OG 3.48Å
364	A	96.3	Very high	97.8	Very high	58 Å²	58	35.1 Å²	35.1	48%	0.479	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	49.1	40.1	-177	0	0	0	0	0	113.5	M362 K366 P438	M362-A364 PolarHBondContact O-N 2.7Å; M362-A364 VanDerWaalsContact O-N 3.16Å; A364-K366 PolarHBondContact O-N 2.7Å; A364-K366 VanDerWaalsContact O-N 3.14Å; A364-P438 WeakPolarHBondContact O-CB 3Å
365	Y	97	Very high	97.8	Very high	81 Å²	81	35.2 Å²	35.2	32%	0.318	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	60.8	18	179.7	-42.2	-68.2	0	0	0	115	I359 D363 W437	I359-Y365 HydrophobicContact CB-CD1 3.97Å; I359-Y365 HydrophobicContact CD1-CD1 3.73Å; I359-Y365 HydrophobicContact CD1-CE1 4.04Å; I359-Y365 HydrophobicContact CD1-CG 4.48Å; I359-Y365 HydrophobicContact CG1-CD1 3.79Å; I359-Y365 HydrophobicContact CG1-CE1 4.08Å; D363-Y365 PolarHBondContact O-N 3.46Å; D363-Y365 VanDerWaalsContact O-N 3.17Å; Y365-W437 WeakPolarHBondContact CD2-O 3.44Å; Y365-W437 HydrophobicContact CG-CB 4.11Å
366	K	97.6	Very high	97.8	Very high	29 Å²	29	37.1 Å²	37.1	13%	0.126	20%	0.198	C	C	.	.			trans	-78.2	127.3	176.2	-63.4	175.1	-66.4	-178.5	0	109.7	D363 A364 S369 Y410 P438	D363-K366 WeakPolarHBondContact O-CB 3.28Å; D363-K366 WeakPolarHBondContact O-CE 3.25Å; D363-K366 WeakPolarHBondContact O-CG 3.33Å; D363-K366 PolarHBondContact O-N 3.17Å; D363-K366 WeakPolarHBondContact OD2-CE 3.36Å; D363-K366 IonicContact OD2-NZ 3.39Å; D363-K366 PolarHBondContact OD2-NZ 2.87Å; A364-K366 PolarHBondContact O-N 2.7Å; A364-K366 VanDerWaalsContact O-N 3.14Å; K366-S369 WeakPolarHBondContact O-CB 3.38Å; K366-S369 PolarHBondContact O-OG 3.49Å; K366-Y410 HydrophobicContact CB-CE2 3.93Å; K366-Y410 HydrophobicContact CD-CE2 4.4Å; K366-P438 HydrophobicContact CG-CB 4.29Å
367	I	97.8	Very high	97.7	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	151.4	174.7	65.5	167.1	0	0	0	111.6	S369 I398 D399 V402 Y410 W455	I367-S369 VanDerWaalsContact C-N 3.26Å; I367-S369 PolarHBondContact O-N 2.87Å; I367-I398 HydrophobicContact CB-CG2 4.48Å; I367-I398 HydrophobicContact CG2-CG2 4.46Å; I367-D399 HydrophobicContact CG2-CB 4.1Å; I367-D399 WeakPolarHBondContact CG2-O 3.34Å; I367-V402 HydrophobicContact CD1-CG2 3.89Å; I367-Y410 WeakPolarHBondContact CG1-OH 3.21Å; I367-Y410 PolarHBondContact O-OH 2.86Å; I367-W455 HydrophobicContact CD1-CZ3 4.12Å
368	W	97.4	Very high	97.7	Very high	23 Å²	23	38.8 Å²	38.8	9%	0.087	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	35.2	-179.2	-45.8	114.5	0	0	0	114.1	I398 P412 W455 A459 F462 L471	W368-I398 HydrophobicContact CD2-CD1 4.24Å; W368-I398 HydrophobicContact CE3-CD1 3.84Å; W368-I398 HydrophobicContact CH2-CD1 4.21Å; W368-I398 HydrophobicContact CH2-CG1 4.1Å; W368-I398 HydrophobicContact CH2-CG2 4.21Å; W368-I398 HydrophobicContact CZ2-CG2 3.87Å; W368-I398 HydrophobicContact CZ3-CD1 3.82Å; W368-I398 HydrophobicContact CZ3-CG1 4.11Å; W368-P412 HydrophobicContact CB-CG 4.06Å; W368-P412 HydrophobicContact CG-CG 4.25Å; W368-W455 AromaticContact CE2-CZ3 3.91Å; W368-W455 HydrophobicContact CH2-CZ2 4.33Å; W368-W455 AromaticContact CZ2-CD2 3.89Å; W368-W455 HydrophobicContact CZ2-CD2 3.89Å; W368-W455 AromaticContact CZ2-CE2 3.72Å; W368-W455 AromaticContact CZ2-CE3 3.84Å; W368-W455 HydrophobicContact CZ2-CE3 3.84Å; W368-W455 AromaticContact CZ2-CH2 3.62Å; W368-W455 HydrophobicContact CZ2-CH2 3.62Å; W368-W455 AromaticContact CZ2-CZ2 3.6Å; W368-W455 HydrophobicContact CZ2-CZ2 3.6Å; W368-W455 AromaticContact CZ2-CZ3 3.73Å; W368-W455 HydrophobicContact CZ2-CZ3 3.73Å; W368-W455 AromaticContact NE1-CE3 3.89Å; W368-W455 AromaticContact NE1-CH2 3.99Å; W368-W455 AromaticContact NE1-CZ3 3.47Å; W368-A459 HydrophobicContact CH2-CB 3.61Å; W368-A459 HydrophobicContact CZ2-CB 4.26Å; W368-A459 HydrophobicContact CZ3-CB 3.97Å; W368-F462 VanDerWaalsContact C-CD2 3.43Å; W368-F462 HydrophobicContact CB-CB 4.42Å; W368-F462 HydrophobicContact CB-CD2 4.26Å; W368-F462 HydrophobicContact CB-CG 4.33Å; W368-F462 HydrophobicContact CD2-CB 4.43Å; W368-F462 HydrophobicContact CE3-CB 3.56Å; W368-F462 AromaticContact CE3-CD1 3.71Å; W368-F462 HydrophobicContact CE3-CD1 3.71Å; W368-F462 AromaticContact CE3-CG 3.77Å; W368-F462 HydrophobicContact CE3-CG 3.77Å; W368-F462 HydrophobicContact CZ3-CB 4.23Å; W368-F462 HydrophobicContact CZ3-CD1 4.21Å; W368-F462 WeakPolarHBondContact O-CD2 3.41Å; W368-F462 WeakPolarHBondContact O-CE2 3.21Å; W368-L471 HydrophobicContact CH2-CD1 4.25Å
369	S	97	Very high	97.6	Very high	17 Å²	17	41.6 Å²	41.6	12%	0.119	23%	0.23	C	C	.	.			trans	-139.2	165.7	178.1	80.1	0	0	0	0	112.2	Y361 D363 K366 I367	Y361-S369 WeakPolarHBondContact CE2-O 3.2Å; D363-S369 WeakPolarHBondContact CB-OG 3.35Å; D363-S369 PolarHBondContact N-OG 3.09Å; D363-S369 PolarHBondContact O-OG 3.48Å; K366-S369 WeakPolarHBondContact O-CB 3.38Å; K366-S369 PolarHBondContact O-OG 3.49Å; I367-S369 VanDerWaalsContact C-N 3.26Å; I367-S369 PolarHBondContact O-N 2.87Å
370	V	97.6	Very high	97.6	Very high	26 Å²	26	44.5 Å²	44.5	16%	0.158	25%	0.248	C	C	.	.			trans	-132.8	130.5	177.5	-178.9	0	0	0	0	109.6	Y361 T372 F375 I378 F462 V465 I466	Y361-V370 HydrophobicContact CD2-CG2 4.5Å; Y361-V370 CarbonylContact O-C 3.6Å; Y361-V370 VanDerWaalsContact O-CA 3.31Å; Y361-V370 WeakPolarHBondContact O-CA 3.29Å; V370-T372 PolarHBondContact O-N 2.63Å; V370-F375 HydrophobicContact CG1-CB 4.16Å; V370-I378 HydrophobicContact CG1-CG2 3.92Å; V370-F462 HydrophobicContact CG2-CE2 3.87Å; V370-F462 HydrophobicContact CG2-CZ 3.73Å; V370-V465 HydrophobicContact CG2-CG1 4.26Å; V370-I466 HydrophobicContact CG2-CD1 3.67Å; V370-I466 HydrophobicContact CG2-CG1 4.29Å
371	D	97.8	Very high	97.6	Very high	21 Å²	21	44.3 Å²	44.3	11%	0.112	25%	0.247	C	C	.	.			trans	-69.1	98.2	167.3	-179.2	-23.3	0	0	0	108.7	Y361 K373 R374 F375 G376	Y361-D371 PolarHBondContact O-N 2.82Å; D371-K373 PolarHBondContact O-N 3.48Å; D371-K373 VanDerWaalsContact O-N 3.12Å; D371-K373 WeakPolarHBondContact OD1-CA 3.5Å; D371-K373 VanDerWaalsContact OD1-CB 3.31Å; D371-K373 WeakPolarHBondContact OD1-CB 3.34Å; D371-K373 PolarHBondContact OD1-N 3.21Å; D371-R374 PolarHBondContact O-N 2.74Å; D371-R374 PolarHBondContact OD1-N 3.2Å; D371-R374 IonicContact OD2-CZ 3.46Å; D371-R374 VanDerWaalsContact OD2-CZ 3.31Å; D371-R374 IonicContact OD2-NE 2.64Å; D371-R374 PolarHBondContact OD2-NE 2.96Å; D371-R374 IonicContact OD2-NH2 2.8Å; D371-R374 PolarHBondContact OD2-NH2 2.79Å; D371-F375 CarbonylContact O-C 3.56Å; D371-F375 WeakPolarHBondContact O-CA 3.32Å; D371-F375 PolarHBondContact O-N 2.72Å; D371-G376 PolarHBondContact O-N 3.11Å
372	T	97.1	Very high	97.6	Very high	116 Å²	116	44.5 Å²	44.5	71%	0.712	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.8	-177.2	62.1	0	0	0	0	113.5	V370 G376	V370-T372 PolarHBondContact O-N 2.63Å; T372-G376 WeakPolarHBondContact O-CA 3.32Å; T372-G376 PolarHBondContact O-N 3.34Å
373	K	97.8	Very high	97.6	Very high	195 Å²	195	50 Å²	50	85%	0.848	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-48.8	177.7	-62.9	179	179.6	174.1	0	111.3	D371	D371-K373 PolarHBondContact O-N 3.48Å; D371-K373 VanDerWaalsContact O-N 3.12Å; D371-K373 WeakPolarHBondContact OD1-CA 3.5Å; D371-K373 VanDerWaalsContact OD1-CB 3.31Å; D371-K373 WeakPolarHBondContact OD1-CB 3.34Å; D371-K373 PolarHBondContact OD1-N 3.21Å
374	R	98.2	Very high	97.6	Very high	81 Å²	81	49.4 Å²	49.4	31%	0.306	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-30.9	-177.7	-65.3	-176.3	-58	119.4	7.9	112.8	K333 N334 L335 D360 D371	K333-R374 WeakPolarHBondContact O-CD 3.46Å; K333-R374 PolarHBondContact O-NH1 2.67Å; N334-R374 CarbonylContact C-O 3.52Å; N334-R374 VanDerWaalsContact CA-O 3.32Å; N334-R374 WeakPolarHBondContact CA-O 3.5Å; N334-R374 HydrophobicContact CB-CB 4.19Å; N334-R374 WeakPolarHBondContact CB-O 3.26Å; L335-R374 PolarHBondContact N-O 2.93Å; D360-R374 PolarHBondContact O-NH2 3.37Å; D371-R374 PolarHBondContact O-N 2.74Å; D371-R374 PolarHBondContact OD1-N 3.2Å; D371-R374 IonicContact OD2-CZ 3.46Å; D371-R374 VanDerWaalsContact OD2-CZ 3.31Å; D371-R374 IonicContact OD2-NE 2.64Å; D371-R374 PolarHBondContact OD2-NE 2.96Å; D371-R374 IonicContact OD2-NH2 2.8Å; D371-R374 PolarHBondContact OD2-NH2 2.79Å
375	F	98.4	Very high	97.7	Very high	1 Å²	1	48.7 Å²	48.7	0%	0.004	26%	0.255	C	S	.	.	S	Bend	trans	-121.2	19.4	-176.2	-68.3	-94.6	0	0	0	113.2	M332 L335 F357 D360 V370 D371 G377 I378	M332-F375 HydrophobicContact CB-CZ 4.19Å; L335-F375 HydrophobicContact CB-CD1 4.17Å; F357-F375 HydrophobicContact CD1-CD1 4.49Å; F357-F375 HydrophobicContact CD1-CE1 4.23Å; F357-F375 HydrophobicContact CE1-CE1 4.45Å; D360-F375 VanDerWaalsContact C-CE2 3.48Å; D360-F375 HydrophobicContact CB-CE2 3.94Å; D360-F375 HydrophobicContact CB-CZ 3.75Å; D360-F375 WeakPolarHBondContact O-CD2 3.47Å; D360-F375 WeakPolarHBondContact O-CE2 3.42Å; V370-F375 HydrophobicContact CG1-CB 4.16Å; D371-F375 CarbonylContact O-C 3.56Å; D371-F375 WeakPolarHBondContact O-CA 3.32Å; D371-F375 PolarHBondContact O-N 2.72Å; F375-G377 PolarHBondContact O-N 2.97Å; F375-I378 HydrophobicContact CD1-CD1 4.47Å; F375-I378 WeakPolarHBondContact O-CB 3.18Å; F375-I378 WeakPolarHBondContact O-CG2 3.4Å; F375-I378 PolarHBondContact O-N 3.1Å
376	G	97.4	Very high	97.7	Very high	40 Å²	40	44.9 Å²	44.9	41%	0.412	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	133.7	169.5	0	0	0	0	0	111.8	L335 D371 T372	L335-G376 WeakPolarHBondContact CD2-O 3.18Å; D371-G376 PolarHBondContact O-N 3.11Å; T372-G376 WeakPolarHBondContact O-CA 3.32Å; T372-G376 PolarHBondContact O-N 3.34Å
377	G	97.4	Very high	97.6	Very high	34 Å²	34	47.7 Å²	47.7	35%	0.351	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	9.2	-177.8	0	0	0	0	0	115.1	F375 D379 V380 Y381	F375-G377 PolarHBondContact O-N 2.97Å; G377-D379 WeakPolarHBondContact CA-OD1 3.39Å; G377-D379 PolarHBondContact O-N 3.09Å; G377-V380 PolarHBondContact O-N 2.85Å; G377-Y381 PolarHBondContact O-N 3.09Å
378	I	98.3	Very high	97.5	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-58	-34.1	175.2	-172.9	166	0	0	0	112.1	L335 F357 V370 F375 Y381 V382 I466	L335-I378 HydrophobicContact CD1-CB 4.21Å; L335-I378 HydrophobicContact CD1-CG1 4.16Å; L335-I378 HydrophobicContact CD2-CB 4.32Å; F357-I378 HydrophobicContact CD1-CD1 3.93Å; F357-I378 HydrophobicContact CD2-CD1 4.22Å; F357-I378 HydrophobicContact CE1-CD1 3.81Å; F357-I378 HydrophobicContact CE1-CG1 4.48Å; F357-I378 HydrophobicContact CE2-CD1 4.11Å; F357-I378 HydrophobicContact CG-CD1 4.12Å; F357-I378 HydrophobicContact CZ-CD1 3.9Å; F357-I378 HydrophobicContact CZ-CG1 4.23Å; V370-I378 HydrophobicContact CG1-CG2 3.92Å; F375-I378 HydrophobicContact CD1-CD1 4.47Å; F375-I378 WeakPolarHBondContact O-CB 3.18Å; F375-I378 WeakPolarHBondContact O-CG2 3.4Å; F375-I378 PolarHBondContact O-N 3.1Å; I378-Y381 PolarHBondContact O-N 3.23Å; I378-V382 HydrophobicContact CG1-CG2 4.17Å; I378-V382 WeakPolarHBondContact O-CB 3.31Å; I378-V382 VanDerWaalsContact O-CG2 3.22Å; I378-V382 WeakPolarHBondContact O-CG2 3.35Å; I378-V382 PolarHBondContact O-N 2.75Å; I378-I466 HydrophobicContact CD1-CD1 4.02Å; I378-I466 HydrophobicContact CG1-CD1 4.25Å; I378-I466 HydrophobicContact CG2-CD1 3.6Å; I378-I466 HydrophobicContact CG2-CG1 3.98Å
379	D	97.6	Very high	97.4	Very high	69 Å²	69	59.8 Å²	59.8	37%	0.369	30%	0.303	S	S	.	.	H	α-helix	trans	-59.9	-46	174.9	67	-55.5	0	0	0	112	G377 R383 V465	G377-D379 WeakPolarHBondContact CA-OD1 3.39Å; G377-D379 PolarHBondContact O-N 3.09Å; D379-R383 WeakPolarHBondContact O-CB 3.32Å; D379-R383 PolarHBondContact O-N 2.97Å; D379-V465 WeakPolarHBondContact CB-O 3.44Å
380	V	97.9	Very high	97.4	Very high	63 Å²	63	60.8 Å²	60.8	38%	0.382	31%	0.305	S	S	.	.	H	α-helix	trans	-67.5	-41.7	177.1	179.4	0	0	0	0	110.2	G377 R383 D384	G377-V380 PolarHBondContact O-N 2.85Å; V380-R383 PolarHBondContact O-N 2.81Å; V380-D384 WeakPolarHBondContact O-CB 3.43Å; V380-D384 PolarHBondContact O-N 2.78Å
381	Y	98.4	Very high	97.3	Very high	5 Å²	5	60.9 Å²	60.9	2%	0.02	31%	0.307	C	S	.	.	I	π-helix	trans	-61.2	-49.3	177.3	176.2	-115.5	0	0	0	112.2	L335 K339 L342 Q355 F357 G377 I378 R383 V385 L386	L335-Y381 HydrophobicContact CD1-CD1 3.67Å; L335-Y381 HydrophobicContact CD1-CE1 4.29Å; L335-Y381 HydrophobicContact CD1-CG 4.05Å; K339-Y381 HydrophobicContact CB-CE2 4.26Å; K339-Y381 HydrophobicContact CD-CD2 4.31Å; K339-Y381 HydrophobicContact CD-CE2 4.45Å; K339-Y381 HydrophobicContact CG-CD2 3.64Å; K339-Y381 HydrophobicContact CG-CE2 3.38Å; K339-Y381 HydrophobicContact CG-CG 4.39Å; L342-Y381 VanDerWaalsContact CD2-OH 3.29Å; L342-Y381 WeakPolarHBondContact CD2-OH 3.22Å; Q355-Y381 VanDerWaalsContact OE1-CE1 3.25Å; Q355-Y381 PolarHBondContact OE1-OH 3.45Å; F357-Y381 HydrophobicContact CZ-CD1 4.09Å; F357-Y381 AromaticContact CZ-CE1 3.95Å; F357-Y381 HydrophobicContact CZ-CE1 3.95Å; G377-Y381 PolarHBondContact O-N 3.09Å; I378-Y381 PolarHBondContact O-N 3.23Å; Y381-R383 PolarHBondContact O-N 2.91Å; Y381-V385 HydrophobicContact CD2-CB 3.51Å; Y381-V385 HydrophobicContact CD2-CG1 3.92Å; Y381-V385 HydrophobicContact CD2-CG2 3.78Å; Y381-V385 HydrophobicContact CE2-CB 3.64Å; Y381-V385 HydrophobicContact CE2-CG1 3.52Å; Y381-V385 HydrophobicContact CE2-CG2 4.25Å; Y381-V385 HydrophobicContact CG-CB 4.49Å; Y381-V385 WeakPolarHBondContact O-CA 3.26Å; Y381-V385 VanDerWaalsContact O-CB 3.3Å; Y381-V385 WeakPolarHBondContact O-CB 3.4Å; Y381-V385 PolarHBondContact O-N 3.34Å; Y381-L386 HydrophobicContact CD1-CD1 4.11Å; Y381-L386 HydrophobicContact CD1-CG 4.07Å; Y381-L386 HydrophobicContact CE1-CD1 3.76Å; Y381-L386 HydrophobicContact CE1-CD2 3.69Å; Y381-L386 HydrophobicContact CE1-CG 3.68Å; Y381-L386 HydrophobicContact CE2-CD2 4.2Å; Y381-L386 HydrophobicContact CE2-CG 4.46Å; Y381-L386 PolarHBondContact O-N 2.78Å; Y381-L386 WeakPolarHBondContact OH-CD2 3.49Å
382	V	98.2	Very high	97.3	Very high	4 Å²	4	60 Å²	60	2%	0.024	30%	0.302	C	S	.	.	I	π-helix	trans	-58.6	-50.5	177.4	168.3	0	0	0	0	110.5	I378 L386 R387 T394 I466 N467	I378-V382 HydrophobicContact CG1-CG2 4.17Å; I378-V382 WeakPolarHBondContact O-CB 3.31Å; I378-V382 VanDerWaalsContact O-CG2 3.22Å; I378-V382 WeakPolarHBondContact O-CG2 3.35Å; I378-V382 PolarHBondContact O-N 2.75Å; V382-L386 HydrophobicContact CG2-CD1 4.11Å; V382-L386 WeakPolarHBondContact O-CB 3.35Å; V382-R387 WeakPolarHBondContact O-CB 3.42Å; V382-R387 PolarHBondContact O-N 3.38Å; V382-T394 HydrophobicContact CG2-CG2 3.98Å; V382-I466 HydrophobicContact CG2-CG2 4.03Å; V382-N467 WeakPolarHBondContact CG1-O 3.45Å
383	R	97.1	Very high	97.4	Very high	115 Å²	115	55 Å²	55	43%	0.434	27%	0.27	S	S	.	.	I	π-helix	trans	-67.1	-51.8	-177.2	-175.9	-169.9	65.9	-132	-2.4	113	D379 V380 Y381 K388	D379-R383 WeakPolarHBondContact O-CB 3.32Å; D379-R383 PolarHBondContact O-N 2.97Å; V380-R383 PolarHBondContact O-N 2.81Å; Y381-R383 PolarHBondContact O-N 2.91Å; R383-K388 WeakPolarHBondContact O-CG 3.27Å; R383-K388 PolarHBondContact O-N 3.39Å
384	D	97.5	Very high	97.4	Very high	54 Å²	54	45.7 Å²	45.7	29%	0.289	23%	0.23	S	C	.	.	I	π-helix	trans	-96.4	-27.8	-165.9	-64	-26.6	0	0	0	113.3	V380 K388 K389	V380-D384 WeakPolarHBondContact O-CB 3.43Å; V380-D384 PolarHBondContact O-N 2.78Å; D384-K388 IonicContact OD1-NZ 3.44Å; D384-K388 PolarHBondContact OD1-NZ 2.7Å; D384-K389 PolarHBondContact O-N 2.94Å
385	V	97.3	Very high	97.4	Very high	43 Å²	43	41.9 Å²	41.9	26%	0.261	22%	0.215	S	C	.	.	I	π-helix	trans	-100.7	-57.9	-178.8	-173.2	0	0	0	0	111.3	Y381 K389 Y390	Y381-V385 HydrophobicContact CD2-CB 3.51Å; Y381-V385 HydrophobicContact CD2-CG1 3.92Å; Y381-V385 HydrophobicContact CD2-CG2 3.78Å; Y381-V385 HydrophobicContact CE2-CB 3.64Å; Y381-V385 HydrophobicContact CE2-CG1 3.52Å; Y381-V385 HydrophobicContact CE2-CG2 4.25Å; Y381-V385 HydrophobicContact CG-CB 4.49Å; Y381-V385 WeakPolarHBondContact O-CA 3.26Å; Y381-V385 VanDerWaalsContact O-CB 3.3Å; Y381-V385 WeakPolarHBondContact O-CB 3.4Å; Y381-V385 PolarHBondContact O-N 3.34Å; V385-K389 WeakPolarHBondContact O-CB 3.19Å; V385-K389 PolarHBondContact O-N 3.33Å; V385-Y390 HydrophobicContact CG1-CD2 3.72Å; V385-Y390 HydrophobicContact CG1-CE2 3.54Å; V385-Y390 WeakPolarHBondContact O-CD2 3.39Å; V385-Y390 PolarHBondContact O-N 2.89Å; V385-Y390 VanDerWaalsContact O-N 3.08Å
386	L	97.6	Very high	97.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	I	π-helix	trans	-63.2	-60.7	-180	-59.7	-173.2	0	0	0	110.4	L342 Q355 F357 Y381 V382 Y390 S391 V392 T394	L342-L386 HydrophobicContact CD2-CD2 3.2Å; Q355-L386 HydrophobicContact CB-CD1 4.35Å; Q355-L386 HydrophobicContact CB-CD2 4.41Å; F357-L386 HydrophobicContact CE2-CD1 4.37Å; Y381-L386 HydrophobicContact CD1-CD1 4.11Å; Y381-L386 HydrophobicContact CD1-CG 4.07Å; Y381-L386 HydrophobicContact CE1-CD1 3.76Å; Y381-L386 HydrophobicContact CE1-CD2 3.69Å; Y381-L386 HydrophobicContact CE1-CG 3.68Å; Y381-L386 HydrophobicContact CE2-CD2 4.2Å; Y381-L386 HydrophobicContact CE2-CG 4.46Å; Y381-L386 PolarHBondContact O-N 2.78Å; Y381-L386 WeakPolarHBondContact OH-CD2 3.49Å; V382-L386 HydrophobicContact CG2-CD1 4.11Å; V382-L386 WeakPolarHBondContact O-CB 3.35Å; L386-Y390 CarbonylContact O-C 3.43Å; L386-Y390 PolarHBondContact O-N 3.22Å; L386-S391 PolarHBondContact O-N 2.79Å; L386-V392 CarbonylContact C-O 3.59Å; L386-V392 VanDerWaalsContact C-O 3.29Å; L386-V392 HydrophobicContact CB-CB 4.23Å; L386-V392 HydrophobicContact CB-CG1 4.48Å; L386-V392 HydrophobicContact CD2-CB 4.32Å; L386-V392 HydrophobicContact CD2-CG1 4.12Å; L386-V392 PolarHBondContact O-N 3.07Å; L386-T394 WeakPolarHBondContact CD1-OG1 3.3Å
387	R	95.1	Very high	97.5	Very high	88 Å²	88	40 Å²	40	33%	0.332	20%	0.195	S	C	.	.	I	π-helix	trans	-71.5	-57	-172.9	-170.4	66.2	176.2	-143.3	9.7	113.3	V382 S391 R393 D469	V382-R387 WeakPolarHBondContact O-CB 3.42Å; V382-R387 PolarHBondContact O-N 3.38Å; R387-S391 WeakPolarHBondContact O-CA 3.26Å; R387-S391 PolarHBondContact O-N 2.79Å; R387-R393 VanDerWaalsContact CZ-NH1 3.26Å; R387-R393 VanDerWaalsContact NH1-CZ 3.29Å; R387-R393 VanDerWaalsContact NH1-NE 3.16Å; R387-D469 IonicContact CZ-OD1 3.46Å; R387-D469 IonicContact NH1-OD1 3.6Å; R387-D469 PolarHBondContact NH1-OD1 3.43Å; R387-D469 IonicContact NH1-OD2 3.96Å
388	K	96	Very high	97.6	Very high	145 Å²	145	38.3 Å²	38.3	63%	0.63	18%	0.179	S	C	*	.	I	π-helix	trans	-76.8	-42	-172.5	-73.7	178.1	-169.4	163.5	0	114	R383 D384	R383-K388 WeakPolarHBondContact O-CG 3.27Å; R383-K388 PolarHBondContact O-N 3.39Å; D384-K388 IonicContact OD1-NZ 3.44Å; D384-K388 PolarHBondContact OD1-NZ 2.7Å
389	K	96.2	Very high	97.6	Very high	135 Å²	135	38.2 Å²	38.2	59%	0.587	18%	0.178	S	C	*	.	I	π-helix	trans	-85.6	-45.5	-173.9	-176.4	-176.1	179.8	-170.5	0	112.5	D384 V385	D384-K389 PolarHBondContact O-N 2.94Å; V385-K389 WeakPolarHBondContact O-CB 3.19Å; V385-K389 PolarHBondContact O-N 3.33Å
390	Y	96	Very high	97.6	Very high	37 Å²	37	35 Å²	35	15%	0.145	16%	0.161	C	C	.	.	I	π-helix	trans	-106.2	-8.2	-173.2	-63.6	-57.4	0	0	0	114.5	L342 V346 V385 L386 V392	L342-Y390 HydrophobicContact CD2-CD2 3.9Å; L342-Y390 HydrophobicContact CD2-CE2 4.34Å; V346-Y390 HydrophobicContact CB-CE1 4.34Å; V346-Y390 HydrophobicContact CG1-CD1 3.8Å; V346-Y390 HydrophobicContact CG1-CE1 3.59Å; V346-Y390 HydrophobicContact CG2-CD1 4.31Å; V346-Y390 HydrophobicContact CG2-CE1 4.49Å; V385-Y390 HydrophobicContact CG1-CD2 3.72Å; V385-Y390 HydrophobicContact CG1-CE2 3.54Å; V385-Y390 WeakPolarHBondContact O-CD2 3.39Å; V385-Y390 PolarHBondContact O-N 2.89Å; V385-Y390 VanDerWaalsContact O-N 3.08Å; L386-Y390 CarbonylContact O-C 3.43Å; L386-Y390 PolarHBondContact O-N 3.22Å; Y390-V392 PolarHBondContact O-N 3.46Å
391	S	96.2	Very high	97.6	Very high	29 Å²	29	32.1 Å²	32.1	20%	0.203	14%	0.144	C	C	.	.			trans	56	36.7	-172.7	-51.6	0	0	0	0	112.9	L386 R387	L386-S391 PolarHBondContact O-N 2.79Å; R387-S391 WeakPolarHBondContact O-CA 3.26Å; R387-S391 PolarHBondContact O-N 2.79Å
392	V	97.8	Very high	97.7	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	14%	0.143	C	C	.	.			trans	-99.3	138.2	178.9	174.7	0	0	0	0	109.3	L342 I352 Q355 L386 Y390	L342-V392 HydrophobicContact CD1-CG2 4.48Å; I352-V392 HydrophobicContact CG2-CG1 4.44Å; I352-V392 WeakPolarHBondContact O-CG2 3.41Å; Q355-V392 HydrophobicContact CB-CG1 4.16Å; L386-V392 CarbonylContact C-O 3.59Å; L386-V392 VanDerWaalsContact C-O 3.29Å; L386-V392 HydrophobicContact CB-CB 4.23Å; L386-V392 HydrophobicContact CB-CG1 4.48Å; L386-V392 HydrophobicContact CD2-CB 4.32Å; L386-V392 HydrophobicContact CD2-CG1 4.12Å; L386-V392 PolarHBondContact O-N 3.07Å; Y390-V392 PolarHBondContact O-N 3.46Å
393	R	98.1	Very high	97.7	Very high	11 Å²	11	31.8 Å²	31.8	4%	0.042	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	161.6	176	-58.6	-66.7	-175.8	-96.4	1.4	111.6	W321 D353 A354 Q355 R387 D469 D775	W321-R393 HydrophobicContact CB-CG 4.29Å; W321-R393 HydrophobicContact CD2-CB 4.28Å; W321-R393 HydrophobicContact CD2-CG 3.7Å; W321-R393 HydrophobicContact CE3-CB 3.93Å; W321-R393 HydrophobicContact CE3-CG 3.79Å; W321-R393 HydrophobicContact CG-CG 3.92Å; W321-R393 HydrophobicContact CZ3-CB 4.07Å; W321-R393 HydrophobicContact CZ3-CG 4.4Å; D353-R393 WeakPolarHBondContact O-CB 3.4Å; D353-R393 PolarHBondContact O-N 3.19Å; A354-R393 VanDerWaalsContact CA-O 3.31Å; A354-R393 WeakPolarHBondContact CA-O 3.47Å; A354-R393 HydrophobicContact CB-CB 4.25Å; Q355-R393 PolarHBondContact N-O 2.85Å; R387-R393 VanDerWaalsContact CZ-NH1 3.26Å; R387-R393 VanDerWaalsContact NH1-CZ 3.29Å; R387-R393 VanDerWaalsContact NH1-NE 3.16Å; R393-D469 WeakPolarHBondContact CA-OD2 3.22Å; R393-D469 HydrophobicContact CB-CB 3.99Å; R393-D469 WeakPolarHBondContact CB-OD2 3.37Å; R393-D469 WeakPolarHBondContact CD-OD1 3.5Å; R393-D469 WeakPolarHBondContact CD-OD2 3.44Å; R393-D469 HydrophobicContact CG-CB 4.46Å; R393-D775 IonicContact CZ-OD1 2.65Å; R393-D775 IonicContact CZ-OD2 3.71Å; R393-D775 IonicContact NH1-OD2 3.69Å; R393-D775 PolarHBondContact NH1-OD2 3.01Å; R393-D775 IonicContact NH2-OD1 2.69Å; R393-D775 PolarHBondContact NH2-OD1 3.02Å; R393-D775 IonicContact NH2-OD2 2.87Å; R393-D775 PolarHBondContact NH2-OD2 2.84Å
394	T	98.5	Very high	97.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.8	178.2	-57.4	0	0	0	0	111.9	Q355 F357 V382 L386 L396 D469 G470	Q355-T394 WeakPolarHBondContact O-CA 3.49Å; F357-T394 HydrophobicContact CD2-CG2 3.85Å; F357-T394 HydrophobicContact CE2-CG2 3.82Å; V382-T394 HydrophobicContact CG2-CG2 3.98Å; L386-T394 WeakPolarHBondContact CD1-OG1 3.3Å; T394-L396 HydrophobicContact CG2-CD2 3.91Å; T394-L396 HydrophobicContact CG2-CG 4.46Å; T394-D469 PolarHBondContact N-OD2 3.23Å; T394-D469 PolarHBondContact O-N 2.84Å; T394-G470 PolarHBondContact O-N 3.03Å
395	V	98.8	Very high	97.3	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134	173.2	-179.7	0	0	0	0	109.3	W321 Q355 W356 F357 G470 W472 F554	W321-V395 HydrophobicContact CH2-CG2 4.01Å; W321-V395 HydrophobicContact CZ3-CG2 4.24Å; Q355-V395 PolarHBondContact O-N 3.47Å; W356-V395 VanDerWaalsContact CA-O 3.25Å; W356-V395 WeakPolarHBondContact CA-O 3.5Å; W356-V395 HydrophobicContact CD2-CB 3.61Å; W356-V395 HydrophobicContact CD2-CG1 3.76Å; W356-V395 HydrophobicContact CD2-CG2 4.28Å; W356-V395 HydrophobicContact CE3-CB 4Å; W356-V395 HydrophobicContact CE3-CG1 3.6Å; W356-V395 HydrophobicContact CG-CB 3.94Å; W356-V395 HydrophobicContact CH2-CB 4.4Å; W356-V395 HydrophobicContact CH2-CG1 3.78Å; W356-V395 HydrophobicContact CZ2-CB 4.06Å; W356-V395 HydrophobicContact CZ2-CG1 3.94Å; W356-V395 HydrophobicContact CZ2-CG2 3.93Å; W356-V395 HydrophobicContact CZ3-CB 4.4Å; W356-V395 HydrophobicContact CZ3-CG1 3.64Å; F357-V395 PolarHBondContact N-O 2.79Å; V395-G470 WeakPolarHBondContact CA-O 3.29Å; V395-W472 HydrophobicContact CG1-CB 4.06Å; V395-F554 HydrophobicContact CG2-CD1 4.11Å; V395-F554 HydrophobicContact CG2-CE1 4.15Å
396	L	98.7	Very high	96.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.7	-178.8	-56.5	-178.2	0	0	0	110.2	F357 Y361 T394 F462 I466 F468 G470 W472	F357-L396 HydrophobicContact CB-CD2 3.84Å; F357-L396 HydrophobicContact CD2-CD2 3.75Å; F357-L396 HydrophobicContact CG-CD2 4.16Å; Y361-L396 HydrophobicContact CD1-CD2 4.48Å; Y361-L396 HydrophobicContact CE1-CB 4.15Å; Y361-L396 HydrophobicContact CE1-CD2 4.27Å; T394-L396 HydrophobicContact CG2-CD2 3.91Å; T394-L396 HydrophobicContact CG2-CG 4.46Å; L396-F462 HydrophobicContact CD1-CD1 4.44Å; L396-F462 HydrophobicContact CD1-CE1 3.8Å; L396-I466 HydrophobicContact CD1-CB 4.3Å; L396-I466 HydrophobicContact CD1-CD1 4.27Å; L396-I466 HydrophobicContact CD1-CG2 4.11Å; L396-F468 HydrophobicContact CD1-CB 3.83Å; L396-F468 HydrophobicContact CD1-CD1 3.87Å; L396-F468 HydrophobicContact CD1-CG 4.13Å; L396-F468 HydrophobicContact CG-CB 3.91Å; L396-G470 PolarHBondContact N-O 3.14Å; L396-W472 PolarHBondContact O-N 3.42Å
397	I	98.8	Very high	95.9	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	142.5	165.2	-160.7	174.7	0	0	0	110.4	F357 I359 Y361 M362 W472 D474	F357-I397 PolarHBondContact O-N 2.84Å; I359-I397 HydrophobicContact CB-CG2 4.39Å; I359-I397 HydrophobicContact CG2-CD1 4.08Å; I359-I397 HydrophobicContact CG2-CG2 3.67Å; I359-I397 VanDerWaalsContact N-CG2 3.26Å; Y361-I397 HydrophobicContact CE1-CG2 4.09Å; Y361-I397 PolarHBondContact OH-O 2.84Å; M362-I397 HydrophobicContact CE-CG2 3.77Å; M362-I397 WeakPolarHBondContact CE-O 3.49Å; I397-W472 CarbonylContact C-O 3.54Å; I397-W472 VanDerWaalsContact CA-O 3.24Å; I397-W472 WeakPolarHBondContact CA-O 3.13Å; I397-W472 HydrophobicContact CB-CD2 3.9Å; I397-W472 HydrophobicContact CB-CE3 3.56Å; I397-W472 HydrophobicContact CB-CG 4.36Å; I397-W472 HydrophobicContact CB-CZ3 4.01Å; I397-W472 HydrophobicContact CD1-CD2 3.92Å; I397-W472 HydrophobicContact CD1-CE3 3.92Å; I397-W472 HydrophobicContact CD1-CH2 3.61Å; I397-W472 HydrophobicContact CD1-CZ2 3.61Å; I397-W472 HydrophobicContact CD1-CZ3 3.77Å; I397-W472 HydrophobicContact CG1-CD2 3.64Å; I397-W472 HydrophobicContact CG1-CE3 3.77Å; I397-W472 HydrophobicContact CG1-CG 4.05Å; I397-W472 HydrophobicContact CG1-CH2 4.39Å; I397-W472 HydrophobicContact CG1-CZ2 4.29Å; I397-W472 HydrophobicContact CG1-CZ3 4.15Å; I397-D474 HydrophobicContact CD1-CB 3.7Å; I397-D474 HydrophobicContact CG1-CB 3.91Å
398	I	98.6	Very high	95.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	115	172.4	-61.3	-66.5	0	0	0	108.5	Y361 M362 I367 W368 W455 L471 W472 I473 D474	Y361-I398 VanDerWaalsContact OH-CD1 3.28Å; Y361-I398 WeakPolarHBondContact OH-CD1 3.4Å; M362-I398 HydrophobicContact CE-CD1 4.43Å; I367-I398 HydrophobicContact CB-CG2 4.48Å; I367-I398 HydrophobicContact CG2-CG2 4.46Å; W368-I398 HydrophobicContact CD2-CD1 4.24Å; W368-I398 HydrophobicContact CE3-CD1 3.84Å; W368-I398 HydrophobicContact CH2-CD1 4.21Å; W368-I398 HydrophobicContact CH2-CG1 4.1Å; W368-I398 HydrophobicContact CH2-CG2 4.21Å; W368-I398 HydrophobicContact CZ2-CG2 3.87Å; W368-I398 HydrophobicContact CZ3-CD1 3.82Å; W368-I398 HydrophobicContact CZ3-CG1 4.11Å; I398-W455 HydrophobicContact CG2-CH2 3.39Å; I398-W455 HydrophobicContact CG2-CZ2 3.68Å; I398-W455 HydrophobicContact CG2-CZ3 4.46Å; I398-L471 HydrophobicContact CG1-CD2 3.94Å; I398-W472 PolarHBondContact N-O 2.9Å; I398-I473 WeakPolarHBondContact O-CA 3.47Å; I398-D474 PolarHBondContact O-N 3.15Å
399	D	98.6	Very high	95.4	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.011	19%	0.187	C	C	.	.			trans	-78.9	160.8	173.6	-60	-41.5	0	0	0	111.8	I367 M475	I367-D399 HydrophobicContact CG2-CB 4.1Å; I367-D399 WeakPolarHBondContact CG2-O 3.34Å; D399-M475 WeakPolarHBondContact OD1-CG 3.47Å
400	P	98.5	Very high	95.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-74.7	-36.9	172.2	27.3	-35.4	0	0	0	112.8	P444 F446 D474 M475 N476 Y532 M536	P400-P444 WeakPolarHBondContact O-CD 3.45Å; P400-P444 WeakPolarHBondContact O-CG 3.21Å; P400-F446 HydrophobicContact CB-CE2 3.97Å; P400-F446 HydrophobicContact CB-CZ 4.39Å; P400-D474 WeakPolarHBondContact CD-O 3.48Å; P400-M475 WeakPolarHBondContact CG-O 3.3Å; P400-N476 HydrophobicContact CG-CB 4.21Å; P400-Y532 HydrophobicContact CB-CE1 3.8Å; P400-Y532 WeakPolarHBondContact CB-OH 3.31Å; P400-Y532 HydrophobicContact CG-CE1 4.05Å; P400-M536 HydrophobicContact CB-CE 4.05Å; P400-M536 HydrophobicContact CB-SD 3.89Å; P400-M536 HydrophobicContact CG-SD 4.34Å
401	A	98.5	Very high	95.4	Very high	3 Å²	3	30.7 Å²	30.7	3%	0.025	18%	0.18	C	C	.	.			trans	-71.4	131.3	-167.8	0	0	0	0	0	111.7	V436 T441 F443	A401-V436 HydrophobicContact CB-CB 4.03Å; A401-V436 HydrophobicContact CB-CG1 4.5Å; A401-V436 HydrophobicContact CB-CG2 3.6Å; A401-T441 HydrophobicContact CB-CG2 3.93Å; A401-F443 HydrophobicContact CB-CD1 4.34Å; A401-F443 HydrophobicContact CB-CE1 4.08Å
402	V	98.6	Very high	95.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.4	-174.6	-173.5	0	0	0	0	109.9	I367 T404 Y410 P412 Y413 F422 T441 V442 P444 W454	I367-V402 HydrophobicContact CD1-CG2 3.89Å; V402-T404 PolarHBondContact O-N 2.93Å; V402-Y410 HydrophobicContact CG1-CE1 3.75Å; V402-P412 HydrophobicContact CG1-CB 4.09Å; V402-Y413 HydrophobicContact CG1-CD2 4.38Å; V402-F422 HydrophobicContact CB-CE1 4.16Å; V402-F422 HydrophobicContact CB-CZ 4.37Å; V402-F422 HydrophobicContact CG1-CZ 4.46Å; V402-F422 HydrophobicContact CG2-CE1 3.93Å; V402-F422 HydrophobicContact CG2-CZ 4.45Å; V402-T441 CarbonylContact O-C 3.55Å; V402-T441 VanDerWaalsContact O-CA 3.22Å; V402-T441 WeakPolarHBondContact O-CA 3.46Å; V402-V442 HydrophobicContact CB-CG2 4.04Å; V402-V442 PolarHBondContact N-O 3.48Å; V402-V442 PolarHBondContact O-N 2.94Å; V402-P444 HydrophobicContact CG2-CG 3.86Å; V402-W454 HydrophobicContact CG2-CH2 3.88Å; V402-W454 HydrophobicContact CG2-CZ2 3.97Å
403	S	98.4	Very high	95.5	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	132	178.2	-173.1	0	0	0	0	112.5	K405 Y410 E440	S403-K405 VanDerWaalsContact C-N 3.27Å; S403-K405 PolarHBondContact OG-N 3.34Å; S403-Y410 WeakPolarHBondContact O-CE1 3.44Å; S403-E440 WeakPolarHBondContact CA-O 3.32Å
404	T	97	Very high	95.5	Very high	24 Å²	24	35.1 Å²	35.1	15%	0.147	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-14.5	170.2	65.7	0	0	0	0	112.4	V402 Y413 L433 E440 V442	V402-T404 PolarHBondContact O-N 2.93Å; T404-Y413 HydrophobicContact CG2-CE2 3.91Å; T404-L433 HydrophobicContact CG2-CD2 3.86Å; T404-E440 WeakPolarHBondContact CB-OE1 3.48Å; T404-E440 HydrophobicContact CG2-CG 4.1Å; T404-E440 PolarHBondContact N-O 3.05Å; T404-E440 VanDerWaalsContact OG1-CD 3.31Å; T404-E440 VanDerWaalsContact OG1-CG 3.3Å; T404-E440 WeakPolarHBondContact OG1-CG 3.47Å; T404-E440 PolarHBondContact OG1-O 3.42Å; T404-E440 PolarHBondContact OG1-OE1 2.86Å; T404-V442 HydrophobicContact CG2-CG1 3.9Å
405	K	91	Very high	95.4	Very high	148 Å²	148	35.6 Å²	35.6	64%	0.643	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.1	24.5	-174.1	-62.3	-176.2	-179.2	173.9	0	113.1	S403 G407	S403-K405 VanDerWaalsContact C-N 3.27Å; S403-K405 PolarHBondContact OG-N 3.34Å; K405-G407 PolarHBondContact O-N 3.19Å
406	G	81.3	Confident	95.4	Very high	16 Å²	16	35.6 Å²	35.6	17%	0.165	20%	0.2	C	C	.	.			trans	-66.6	-17.5	-178.5	0	0	0	0	0	115.6
407	G	83.6	Confident	95.3	Very high	52 Å²	52	39.4 Å²	39.4	54%	0.536	22%	0.219	S	C	.	.			trans	77.6	172.9	-173.4	0	0	0	0	0	112.9	K405 G409 Y410	K405-G407 PolarHBondContact O-N 3.19Å; G407-G409 PolarHBondContact O-N 3.43Å; G407-Y410 PolarHBondContact O-N 3.02Å
408	T	88.3	Confident	95.2	Very high	151 Å²	151	47.6 Å²	47.6	93%	0.926	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	127.9	178	-53	0	0	0	0	110.8
409	G	91.7	Very high	95.2	Very high	44 Å²	44	50.3 Å²	50.3	45%	0.454	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.8	0.2	179.8	0	0	0	0	0	114.8	G407 R411 E414	G407-G409 PolarHBondContact O-N 3.43Å; G409-R411 VanDerWaalsContact C-N 3.27Å; G409-R411 PolarHBondContact O-N 3.23Å; G409-E414 PolarHBondContact N-OE1 3.42Å
410	Y	96.7	Very high	95.1	Very high	17 Å²	17	52.4 Å²	52.4	7%	0.067	29%	0.285	C	S	.	.			trans	-73.8	83.6	171.2	-176.3	-124.2	0	0	0	110.8	K366 I367 V402 S403 G407 P412 Y413 E414	K366-Y410 HydrophobicContact CB-CE2 3.93Å; K366-Y410 HydrophobicContact CD-CE2 4.4Å; I367-Y410 WeakPolarHBondContact CG1-OH 3.21Å; I367-Y410 PolarHBondContact O-OH 2.86Å; V402-Y410 HydrophobicContact CG1-CE1 3.75Å; S403-Y410 WeakPolarHBondContact O-CE1 3.44Å; G407-Y410 PolarHBondContact O-N 3.02Å; Y410-P412 VanDerWaalsContact C-CD 3.45Å; Y410-P412 HydrophobicContact CD2-CG 4.27Å; Y410-P412 HydrophobicContact CE1-CB 4.29Å; Y410-P412 HydrophobicContact CE2-CB 4.22Å; Y410-P412 HydrophobicContact CE2-CG 3.73Å; Y410-Y413 PolarHBondContact O-N 2.81Å; Y410-E414 PolarHBondContact O-N 3.48Å; Y410-E414 VanDerWaalsContact O-N 3.15Å
411	R	96.3	Very high	95.1	Very high	141 Å²	141	52.4 Å²	52.4	53%	0.532	29%	0.285	S	S	.	.	H	α-helix	trans	-53.1	-41.5	-172.7	-66.2	-62.6	-171.2	171.3	-2.2	115.3	G409 Y413 E414 D415	G409-R411 VanDerWaalsContact C-N 3.27Å; G409-R411 PolarHBondContact O-N 3.23Å; R411-Y413 PolarHBondContact O-N 2.65Å; R411-E414 PolarHBondContact O-N 3.1Å; R411-D415 VanDerWaalsContact O-CB 3.29Å; R411-D415 WeakPolarHBondContact O-CB 3.32Å; R411-D415 PolarHBondContact O-N 2.85Å
412	P	97.2	Very high	95.1	Very high	10 Å²	10	52.6 Å²	52.6	7%	0.065	29%	0.286	C	S	.	.	H	α-helix	trans	-53.5	-42.6	179	-28.6	36.7	0	0	0	112.7	W368 V402 Y410 G416 W454	W368-P412 HydrophobicContact CB-CG 4.06Å; W368-P412 HydrophobicContact CG-CG 4.25Å; V402-P412 HydrophobicContact CG1-CB 4.09Å; Y410-P412 VanDerWaalsContact C-CD 3.45Å; Y410-P412 HydrophobicContact CD2-CG 4.27Å; Y410-P412 HydrophobicContact CE1-CB 4.29Å; Y410-P412 HydrophobicContact CE2-CB 4.22Å; Y410-P412 HydrophobicContact CE2-CG 3.73Å; P412-G416 PolarHBondContact O-N 2.88Å; P412-W454 HydrophobicContact CB-CZ2 4.25Å; P412-W454 WeakPolarHBondContact O-CZ2 3.44Å; P412-W454 PolarHBondContact O-NE1 3.03Å
413	Y	98	Very high	95.1	Very high	60 Å²	60	52.6 Å²	52.6	24%	0.235	29%	0.286	C	S	.	.	H	α-helix	trans	-75	-51.5	176.7	-178.5	-111.3	0	0	0	112.4	V402 T404 Y410 R411 D415 G416 M417 F422 V442	V402-Y413 HydrophobicContact CG1-CD2 4.38Å; T404-Y413 HydrophobicContact CG2-CE2 3.91Å; Y410-Y413 PolarHBondContact O-N 2.81Å; R411-Y413 PolarHBondContact O-N 2.65Å; Y413-D415 PolarHBondContact O-N 3.02Å; Y413-G416 PolarHBondContact O-N 2.84Å; Y413-M417 HydrophobicContact CD1-CG 4.37Å; Y413-M417 HydrophobicContact CD2-CG 4.19Å; Y413-M417 HydrophobicContact CE1-CG 4.01Å; Y413-M417 HydrophobicContact CE2-CG 3.79Å; Y413-M417 HydrophobicContact CE2-SD 3.97Å; Y413-M417 HydrophobicContact CG-CG 4.46Å; Y413-M417 WeakPolarHBondContact O-CB 3.47Å; Y413-M417 WeakPolarHBondContact O-CG 3.32Å; Y413-M417 PolarHBondContact O-N 2.87Å; Y413-F422 HydrophobicContact CD2-CE2 4.15Å; Y413-F422 HydrophobicContact CD2-CZ 4.28Å; Y413-F422 HydrophobicContact CE2-CE2 4.39Å; Y413-V442 HydrophobicContact CD2-CG2 3.87Å; Y413-V442 HydrophobicContact CE2-CG1 4.38Å; Y413-V442 HydrophobicContact CE2-CG2 3.87Å
414	E	97.4	Very high	95.1	Very high	65 Å²	65	54.7 Å²	54.7	30%	0.304	30%	0.296	S	S	.	.	H	α-helix	trans	-61.4	-44.9	-175.8	-68.3	178.4	169.7	0	0	112.7	G409 Y410 R411 R418	G409-E414 PolarHBondContact N-OE1 3.42Å; Y410-E414 PolarHBondContact O-N 3.48Å; Y410-E414 VanDerWaalsContact O-N 3.15Å; R411-E414 PolarHBondContact O-N 3.1Å; E414-R418 WeakPolarHBondContact O-CB 3.5Å; E414-R418 PolarHBondContact O-N 2.92Å
415	D	97.4	Very high	95.2	Very high	10 Å²	10	54 Å²	54	5%	0.053	29%	0.292	C	S	.	.	H	α-helix	trans	-69.3	-37.4	177.1	-76.8	-39.3	0	0	0	111.3	R411 Y413 R418 L419 K457	R411-D415 VanDerWaalsContact O-CB 3.29Å; R411-D415 WeakPolarHBondContact O-CB 3.32Å; R411-D415 PolarHBondContact O-N 2.85Å; Y413-D415 PolarHBondContact O-N 3.02Å; D415-R418 PolarHBondContact O-N 3.43Å; D415-R418 IonicContact OD1-CZ 3.23Å; D415-R418 IonicContact OD1-NE 3.81Å; D415-R418 PolarHBondContact OD1-NE 3.14Å; D415-R418 IonicContact OD1-NH2 3.35Å; D415-R418 PolarHBondContact OD1-NH2 2.93Å; D415-L419 WeakPolarHBondContact O-CB 3.26Å; D415-L419 WeakPolarHBondContact O-CG 3.47Å; D415-L419 PolarHBondContact O-N 3.32Å; D415-K457 IonicContact OD2-NZ 2.8Å
416	G	98	Very high	95.5	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64	-43.4	176.8	0	0	0	0	0	112.5	P412 Y413 L419 G420 I421 F422	P412-G416 PolarHBondContact O-N 2.88Å; Y413-G416 PolarHBondContact O-N 2.84Å; G416-L419 PolarHBondContact O-N 3.31Å; G416-G420 PolarHBondContact O-N 3.24Å; G416-I421 WeakPolarHBondContact O-CG1 3.49Å; G416-I421 PolarHBondContact O-N 2.99Å; G416-F422 VanDerWaalsContact C-CE2 3.41Å
417	M	97.4	Very high	96.2	Very high	81 Å²	81	53 Å²	53	40%	0.399	29%	0.286	S	S	.	.	H	α-helix	trans	-61.9	-44.6	173.9	-75.4	-57.4	-65.3	0	0	111.6	Y413 L419 G420 F422 P431	Y413-M417 HydrophobicContact CD1-CG 4.37Å; Y413-M417 HydrophobicContact CD2-CG 4.19Å; Y413-M417 HydrophobicContact CE1-CG 4.01Å; Y413-M417 HydrophobicContact CE2-CG 3.79Å; Y413-M417 HydrophobicContact CE2-SD 3.97Å; Y413-M417 HydrophobicContact CG-CG 4.46Å; Y413-M417 WeakPolarHBondContact O-CB 3.47Å; Y413-M417 WeakPolarHBondContact O-CG 3.32Å; Y413-M417 PolarHBondContact O-N 2.87Å; M417-L419 VanDerWaalsContact C-N 3.3Å; M417-L419 PolarHBondContact O-N 3.28Å; M417-G420 PolarHBondContact O-N 3.11Å; M417-F422 HydrophobicContact CB-CE2 4.48Å; M417-F422 HydrophobicContact CG-CD2 4.37Å; M417-F422 HydrophobicContact CG-CE2 3.87Å; M417-F422 VanDerWaalsContact N-CE2 3.32Å; M417-F422 HydrophobicContact SD-CD2 3.71Å; M417-F422 HydrophobicContact SD-CE2 3.8Å; M417-P431 HydrophobicContact CE-CG 4.2Å; M417-P431 HydrophobicContact SD-CG 3.84Å
418	R	97.2	Very high	96.8	Very high	172 Å²	172	54.7 Å²	54.7	65%	0.649	29%	0.286	S	S	*	.	H	α-helix	trans	-62.7	-35.9	179.1	-179.5	176.8	60.5	82.3	1.2	112.5	E414 D415	E414-R418 WeakPolarHBondContact O-CB 3.5Å; E414-R418 PolarHBondContact O-N 2.92Å; D415-R418 PolarHBondContact O-N 3.43Å; D415-R418 IonicContact OD1-CZ 3.23Å; D415-R418 IonicContact OD1-NE 3.81Å; D415-R418 PolarHBondContact OD1-NE 3.14Å; D415-R418 IonicContact OD1-NH2 3.35Å; D415-R418 PolarHBondContact OD1-NH2 2.93Å
419	L	97.8	Very high	97.1	Very high	58 Å²	58	49.8 Å²	49.8	30%	0.304	27%	0.265	S	S	.	.	H	α-helix	trans	-86.1	-12.2	179	-67.1	170.6	0	0	0	113.3	D415 G416 M417 I421 W454	D415-L419 WeakPolarHBondContact O-CB 3.26Å; D415-L419 WeakPolarHBondContact O-CG 3.47Å; D415-L419 PolarHBondContact O-N 3.32Å; G416-L419 PolarHBondContact O-N 3.31Å; M417-L419 VanDerWaalsContact C-N 3.3Å; M417-L419 PolarHBondContact O-N 3.28Å; L419-I421 VanDerWaalsContact C-N 3.33Å; L419-I421 HydrophobicContact CB-CG2 3.72Å; L419-I421 PolarHBondContact O-N 2.9Å; L419-W454 HydrophobicContact CD1-CB 3.92Å
420	G	97.5	Very high	97.4	Very high	45 Å²	45	51.3 Å²	51.3	46%	0.464	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	29.8	-179.2	0	0	0	0	0	114	G416 M417	G416-G420 PolarHBondContact O-N 3.24Å; M417-G420 PolarHBondContact O-N 3.11Å
421	I	98.2	Very high	97.5	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	27%	0.271	C	S	.	.			trans	-87.8	-0.3	-171.8	59.6	144.9	0	0	0	114.7	G416 L419 P444 D445 W454	G416-I421 WeakPolarHBondContact O-CG1 3.49Å; G416-I421 PolarHBondContact O-N 2.99Å; L419-I421 VanDerWaalsContact C-N 3.33Å; L419-I421 HydrophobicContact CB-CG2 3.72Å; L419-I421 PolarHBondContact O-N 2.9Å; I421-P444 HydrophobicContact CD1-CB 4.49Å; I421-D445 WeakPolarHBondContact O-CB 3.45Å; I421-D445 PolarHBondContact O-N 3.22Å; I421-W454 HydrophobicContact CD1-CB 4.1Å; I421-W454 HydrophobicContact CD1-CD2 3.3Å; I421-W454 HydrophobicContact CD1-CE3 3.41Å; I421-W454 VanDerWaalsContact CD1-CE3 3.41Å; I421-W454 HydrophobicContact CD1-CG 3.6Å; I421-W454 HydrophobicContact CD1-CH2 4.41Å; I421-W454 HydrophobicContact CD1-CZ2 4.32Å; I421-W454 HydrophobicContact CD1-CZ3 3.96Å
422	F	98.7	Very high	97.6	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.026	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-84.4	148.6	-179.3	-60.9	-55.9	0	0	0	111.1	V402 Y413 G416 M417 N424 P431 V442 F443 P444	V402-F422 HydrophobicContact CB-CE1 4.16Å; V402-F422 HydrophobicContact CB-CZ 4.37Å; V402-F422 HydrophobicContact CG1-CZ 4.46Å; V402-F422 HydrophobicContact CG2-CE1 3.93Å; V402-F422 HydrophobicContact CG2-CZ 4.45Å; Y413-F422 HydrophobicContact CD2-CE2 4.15Å; Y413-F422 HydrophobicContact CD2-CZ 4.28Å; Y413-F422 HydrophobicContact CE2-CE2 4.39Å; G416-F422 VanDerWaalsContact C-CE2 3.41Å; M417-F422 HydrophobicContact CB-CE2 4.48Å; M417-F422 HydrophobicContact CG-CD2 4.37Å; M417-F422 HydrophobicContact CG-CE2 3.87Å; M417-F422 VanDerWaalsContact N-CE2 3.32Å; M417-F422 HydrophobicContact SD-CD2 3.71Å; M417-F422 HydrophobicContact SD-CE2 3.8Å; F422-N424 PolarHBondContact O-N 3.27Å; F422-P431 HydrophobicContact CB-CB 3.86Å; F422-P431 HydrophobicContact CB-CG 4Å; F422-P431 HydrophobicContact CD2-CB 4.47Å; F422-P431 HydrophobicContact CD2-CG 4.23Å; F422-V442 HydrophobicContact CB-CB 4.38Å; F422-V442 HydrophobicContact CD1-CB 4.07Å; F422-V442 HydrophobicContact CD1-CG2 3.64Å; F422-V442 HydrophobicContact CD2-CB 4.3Å; F422-V442 HydrophobicContact CD2-CG2 3.82Å; F422-V442 HydrophobicContact CE1-CB 4.46Å; F422-V442 HydrophobicContact CE1-CG2 3.55Å; F422-V442 HydrophobicContact CE2-CG2 3.7Å; F422-V442 HydrophobicContact CG-CB 4Å; F422-V442 HydrophobicContact CG-CG2 3.79Å; F422-V442 HydrophobicContact CZ-CG2 3.58Å; F422-F443 CarbonylContact C-O 3.59Å; F422-F443 WeakPolarHBondContact CA-O 3.44Å; F422-P444 HydrophobicContact CD1-CG 4.35Å; F422-P444 HydrophobicContact CE1-CG 4.19Å
423	I	98.8	Very high	97.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-62.5	130.2	172.5	-59.4	173.5	0	0	0	108.4	P431 I432 F443 D445 I514 A518 L519 H520 Y532	I423-P431 CarbonylContact O-C 3.57Å; I423-P431 WeakPolarHBondContact O-CA 3.47Å; I423-I432 HydrophobicContact CB-CG2 4.24Å; I423-I432 HydrophobicContact CG2-CG2 4.22Å; I423-I432 WeakPolarHBondContact O-CG2 3.38Å; I423-I432 PolarHBondContact O-N 3.44Å; I423-F443 HydrophobicContact CD1-CB 4.11Å; I423-F443 PolarHBondContact N-O 3.33Å; I423-D445 HydrophobicContact CG1-CB 3.85Å; I423-I514 HydrophobicContact CB-CD1 4.45Å; I423-I514 HydrophobicContact CD1-CD1 3.66Å; I423-I514 HydrophobicContact CG2-CD1 4.01Å; I423-A518 HydrophobicContact CG2-CB 3.68Å; I423-L519 WeakPolarHBondContact CG2-O 3.31Å; I423-H520 WeakPolarHBondContact CD1-CE1 3.41Å; I423-Y532 HydrophobicContact CD1-CD2 4.28Å; I423-Y532 HydrophobicContact CD1-CE2 3.77Å
424	N	98.5	Very high	97.7	Very high	47 Å²	47	44.8 Å²	44.8	25%	0.251	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-95.1	145.9	-177.2	-69.6	-41.8	0	0	0	112.3	F422 T430 P431 A518 L519	F422-N424 PolarHBondContact O-N 3.27Å; N424-T430 CarbonylContact C-O 3.53Å; N424-T430 VanDerWaalsContact CA-O 3.28Å; N424-T430 WeakPolarHBondContact CA-O 3.35Å; N424-T430 PolarHBondContact OD1-O 3.37Å; N424-P431 WeakPolarHBondContact OD1-CA 3.43Å; N424-P431 WeakPolarHBondContact OD1-CD 3.37Å; N424-A518 CarbonylContact O-C 3.59Å; N424-A518 WeakPolarHBondContact O-CA 3.43Å; N424-L519 HydrophobicContact CB-CB 4.32Å; N424-L519 PolarHBondContact N-O 2.81Å; N424-L519 PolarHBondContact O-N 2.91Å
425	D	98.1	Very high	97.7	Very high	11 Å²	11	43.3 Å²	43.3	6%	0.059	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-70	128.9	168.3	-169.4	-48.4	0	0	0	109.7	R427 T428 G429 T430 I432	D425-R427 PolarHBondContact O-N 2.78Å; D425-R427 VanDerWaalsContact OD1-CB 3.24Å; D425-R427 WeakPolarHBondContact OD1-CB 3.13Å; D425-R427 WeakPolarHBondContact OD1-CG 3.41Å; D425-R427 IonicContact OD1-CZ 3.79Å; D425-R427 PolarHBondContact OD1-N 3.5Å; D425-R427 IonicContact OD1-NE 2.94Å; D425-R427 PolarHBondContact OD1-NE 2.96Å; D425-R427 IonicContact OD1-NH2 3.76Å; D425-R427 IonicContact OD2-CZ 3.38Å; D425-R427 IonicContact OD2-NE 3.3Å; D425-R427 PolarHBondContact OD2-NE 3.34Å; D425-R427 IonicContact OD2-NH2 2.67Å; D425-R427 PolarHBondContact OD2-NH2 3.37Å; D425-T428 PolarHBondContact O-N 2.82Å; D425-G429 WeakPolarHBondContact O-CA 3.14Å; D425-G429 PolarHBondContact O-N 2.9Å; D425-T430 PolarHBondContact N-O 3.27Å; D425-I432 HydrophobicContact CB-CB 4.14Å; D425-I432 HydrophobicContact CB-CG1 4.24Å
426	S	96.8	Very high	97.8	Very high	43 Å²	43	43 Å²	43	30%	0.301	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.8	-178.2	62.8	0	0	0	0	113.9	S517	S426-S517 WeakPolarHBondContact CB-O 3.46Å; S426-S517 PolarHBondContact OG-OG 3.28Å
427	R	96.2	Very high	97.8	Very high	99 Å²	99	47 Å²	47	37%	0.374	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-36.5	-180	-58.3	170.3	-72.1	-167.8	-7.1	112.5	D425 S485 S487 G488 P490	D425-R427 PolarHBondContact O-N 2.78Å; D425-R427 VanDerWaalsContact OD1-CB 3.24Å; D425-R427 WeakPolarHBondContact OD1-CB 3.13Å; D425-R427 WeakPolarHBondContact OD1-CG 3.41Å; D425-R427 IonicContact OD1-CZ 3.79Å; D425-R427 PolarHBondContact OD1-N 3.5Å; D425-R427 IonicContact OD1-NE 2.94Å; D425-R427 PolarHBondContact OD1-NE 2.96Å; D425-R427 IonicContact OD1-NH2 3.76Å; D425-R427 IonicContact OD2-CZ 3.38Å; D425-R427 IonicContact OD2-NE 3.3Å; D425-R427 PolarHBondContact OD2-NE 3.34Å; D425-R427 IonicContact OD2-NH2 2.67Å; D425-R427 PolarHBondContact OD2-NH2 3.37Å; R427-S485 PolarHBondContact NH2-OG 2.89Å; R427-S487 PolarHBondContact NH1-O 3.32Å; R427-S487 PolarHBondContact NH1-OG 2.94Å; R427-S487 PolarHBondContact NH2-OG 2.93Å; R427-G488 PolarHBondContact NH1-O 3.34Å; R427-G488 PolarHBondContact NH2-O 2.9Å; R427-P490 HydrophobicContact CG-CB 4.34Å; R427-P490 HydrophobicContact CG-CG 3.91Å
428	T	96	Very high	97.8	Very high	87 Å²	87	44.1 Å²	44.1	53%	0.534	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-21.9	-170.7	64.8	0	0	0	0	113.4	D425 T430	D425-T428 PolarHBondContact O-N 2.82Å; T428-T430 PolarHBondContact O-N 2.71Å; T428-T430 PolarHBondContact OG1-N 3.46Å; T428-T430 PolarHBondContact OG1-OG1 3.06Å
429	G	95.8	Very high	97.8	Very high	48 Å²	48	37.2 Å²	37.2	50%	0.495	23%	0.226	S	C	.	.	S	Bend	trans	70.2	12.6	-172.2	0	0	0	0	0	113.9	D425	D425-G429 WeakPolarHBondContact O-CA 3.14Å; D425-G429 PolarHBondContact O-N 2.9Å
430	T	97.1	Very high	97.8	Very high	77 Å²	77	37 Å²	37	47%	0.472	22%	0.224	S	C	.	.	S	Bend	trans	-111.4	164.6	177.3	63.8	0	0	0	0	110	N424 D425 T428 I432	N424-T430 CarbonylContact C-O 3.53Å; N424-T430 VanDerWaalsContact CA-O 3.28Å; N424-T430 WeakPolarHBondContact CA-O 3.35Å; N424-T430 PolarHBondContact OD1-O 3.37Å; D425-T430 PolarHBondContact N-O 3.27Å; T428-T430 PolarHBondContact O-N 2.71Å; T428-T430 PolarHBondContact OG1-N 3.46Å; T428-T430 PolarHBondContact OG1-OG1 3.06Å; T430-I432 PolarHBondContact O-N 3.01Å
431	P	98.4	Very high	97.9	Very high	27 Å²	27	34.9 Å²	34.9	18%	0.175	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-50.6	132.3	179.6	-31.7	38.3	0	0	0	112.8	M417 F422 I423 N424 V442	M417-P431 HydrophobicContact CE-CG 4.2Å; M417-P431 HydrophobicContact SD-CG 3.84Å; F422-P431 HydrophobicContact CB-CB 3.86Å; F422-P431 HydrophobicContact CB-CG 4Å; F422-P431 HydrophobicContact CD2-CB 4.47Å; F422-P431 HydrophobicContact CD2-CG 4.23Å; I423-P431 CarbonylContact O-C 3.57Å; I423-P431 WeakPolarHBondContact O-CA 3.47Å; N424-P431 WeakPolarHBondContact OD1-CA 3.43Å; N424-P431 WeakPolarHBondContact OD1-CD 3.37Å; P431-V442 HydrophobicContact CB-CB 4.32Å; P431-V442 HydrophobicContact CB-CG1 3.66Å
432	I	98.6	Very high	97.9	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-70	133.6	177.2	-166.3	165.1	0	0	0	109.8	I423 D425 T430 F443 I514 C515 A518	I423-I432 HydrophobicContact CB-CG2 4.24Å; I423-I432 HydrophobicContact CG2-CG2 4.22Å; I423-I432 WeakPolarHBondContact O-CG2 3.38Å; I423-I432 PolarHBondContact O-N 3.44Å; D425-I432 HydrophobicContact CB-CB 4.14Å; D425-I432 HydrophobicContact CB-CG1 4.24Å; T430-I432 PolarHBondContact O-N 3.01Å; I432-F443 HydrophobicContact CG2-CD2 4.15Å; I432-I514 HydrophobicContact CD1-CB 4.29Å; I432-I514 HydrophobicContact CG2-CD1 4.39Å; I432-C515 HydrophobicContact CD1-CB 4.04Å; I432-A518 HydrophobicContact CD1-CB 3.87Å
433	L	98.4	Very high	97.9	Very high	62 Å²	62	34.6 Å²	34.6	33%	0.325	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-100.4	125.2	-178.7	-60.8	175.9	0	0	0	110.5	T404 E440 T441 V442 S485 L486	T404-L433 HydrophobicContact CG2-CD2 3.86Å; L433-E440 HydrophobicContact CD2-CG 4.33Å; L433-T441 WeakPolarHBondContact CA-O 3.43Å; L433-V442 HydrophobicContact CD2-CG1 3.78Å; L433-S485 CarbonylContact O-C 3.46Å; L433-S485 WeakPolarHBondContact O-CA 3.44Å; L433-S485 VanDerWaalsContact O-CB 3.24Å; L433-S485 WeakPolarHBondContact O-CB 3.46Å; L433-L486 HydrophobicContact CB-CB 4.44Å; L433-L486 HydrophobicContact CB-CD1 3.86Å; L433-L486 HydrophobicContact CB-CG 3.97Å; L433-L486 HydrophobicContact CD1-CD1 4.32Å; L433-L486 PolarHBondContact O-N 2.88Å
434	G	98.4	Very high	97.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	-167.1	170.9	0	0	0	0	0	111.9	E440 T441 N480	G434-E440 WeakPolarHBondContact O-CA 3.34Å; G434-T441 PolarHBondContact N-O 3.4Å; G434-T441 PolarHBondContact O-N 3.28Å; G434-T441 PolarHBondContact O-OG1 2.92Å; G434-N480 WeakPolarHBondContact CA-OD1 3.29Å
435	T	98.5	Very high	97.9	Very high	34 Å²	34	32.6 Å²	32.6	21%	0.209	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.2	175.5	-56.7	0	0	0	0	110.1	G439 N480 F481 N482 L486	T435-G439 VanDerWaalsContact CA-O 3.28Å; T435-G439 WeakPolarHBondContact CA-O 3.41Å; T435-N480 PolarHBondContact N-OD1 3.44Å; T435-N480 PolarHBondContact O-OD1 3.01Å; T435-F481 HydrophobicContact CG2-CB 4.34Å; T435-F481 HydrophobicContact CG2-CD2 4.1Å; T435-F481 WeakPolarHBondContact O-CB 3.31Å; T435-F481 WeakPolarHBondContact O-CG 3.32Å; T435-F481 PolarHBondContact O-N 2.92Å; T435-N482 WeakPolarHBondContact CB-OD1 3.2Å; T435-N482 PolarHBondContact N-OD1 3.4Å; T435-N482 PolarHBondContact OG1-OD1 3.49Å; T435-L486 WeakPolarHBondContact OG1-CD2 3.49Å
436	V	98.4	Very high	97.9	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.024	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	-161	169.1	-167.9	0	0	0	0	107.2	A401 G439 T441 F443 M475 F481	A401-V436 HydrophobicContact CB-CB 4.03Å; A401-V436 HydrophobicContact CB-CG1 4.5Å; A401-V436 HydrophobicContact CB-CG2 3.6Å; V436-G439 PolarHBondContact N-O 3.32Å; V436-G439 PolarHBondContact O-N 2.73Å; V436-T441 HydrophobicContact CB-CG2 4.33Å; V436-F443 HydrophobicContact CG2-CE1 4.28Å; V436-F443 HydrophobicContact CG2-CZ 4.18Å; V436-M475 HydrophobicContact CG1-CE 4.47Å; V436-F481 VanDerWaalsContact C-CE2 3.41Å; V436-F481 HydrophobicContact CG1-CE1 4.44Å; V436-F481 HydrophobicContact CG1-CZ 4.21Å
437	W	98	Very high	97.9	Very high	84 Å²	84	31.5 Å²	31.5	32%	0.318	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-45.6	-176.4	-59.3	121.2	0	0	0	116	Y330 I359 Y365 G439 F481	Y330-W437 HydrophobicContact CE1-CH2 4.38Å; I359-W437 HydrophobicContact CD1-CB 4.12Å; I359-W437 HydrophobicContact CD1-CD2 3.56Å; I359-W437 HydrophobicContact CD1-CE3 3.99Å; I359-W437 HydrophobicContact CD1-CG 3.62Å; Y365-W437 WeakPolarHBondContact CD2-O 3.44Å; Y365-W437 HydrophobicContact CG-CB 4.11Å; W437-G439 PolarHBondContact O-N 2.73Å; W437-G439 VanDerWaalsContact O-N 3.15Å; W437-F481 HydrophobicContact CD2-CE2 4.31Å; W437-F481 AromaticContact CD2-CZ 3.83Å; W437-F481 HydrophobicContact CD2-CZ 3.83Å; W437-F481 AromaticContact CE2-CZ 3.94Å; W437-F481 HydrophobicContact CE3-CE2 4.09Å; W437-F481 AromaticContact CE3-CZ 3.91Å; W437-F481 HydrophobicContact CE3-CZ 3.91Å; W437-F481 HydrophobicContact CG-CZ 4.4Å; W437-F481 HydrophobicContact CH2-CZ 4.22Å; W437-F481 HydrophobicContact CZ2-CZ 4.14Å; W437-F481 HydrophobicContact CZ3-CE2 4.42Å; W437-F481 HydrophobicContact CZ3-CZ 4.1Å
438	P	97.5	Very high	98	Very high	21 Å²	21	28.1 Å²	28.1	14%	0.136	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	13.3	179.7	34.3	-37.1	0	0	0	113.6	A364 K366 T441	A364-P438 WeakPolarHBondContact O-CB 3Å; K366-P438 HydrophobicContact CG-CB 4.29Å; P438-T441 HydrophobicContact CG-CG2 3.58Å
439	G	97.7	Very high	98	Very high	27 Å²	27	28 Å²	28	28%	0.278	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	88.2	-130.3	-175.2	0	0	0	0	0	111.9	T435 V436 W437 T441	T435-G439 VanDerWaalsContact CA-O 3.28Å; T435-G439 WeakPolarHBondContact CA-O 3.41Å; V436-G439 PolarHBondContact N-O 3.32Å; V436-G439 PolarHBondContact O-N 2.73Å; W437-G439 PolarHBondContact O-N 2.73Å; W437-G439 VanDerWaalsContact O-N 3.15Å; G439-T441 PolarHBondContact O-N 3.12Å
440	E	98.2	Very high	98.1	Very high	54 Å²	54	27.5 Å²	27.5	25%	0.252	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	129	-179.4	-177.9	-178.4	106.7	0	0	111.3	S403 T404 L433 G434 L486	S403-E440 WeakPolarHBondContact CA-O 3.32Å; T404-E440 WeakPolarHBondContact CB-OE1 3.48Å; T404-E440 HydrophobicContact CG2-CG 4.1Å; T404-E440 PolarHBondContact N-O 3.05Å; T404-E440 VanDerWaalsContact OG1-CD 3.31Å; T404-E440 VanDerWaalsContact OG1-CG 3.3Å; T404-E440 WeakPolarHBondContact OG1-CG 3.47Å; T404-E440 PolarHBondContact OG1-O 3.42Å; T404-E440 PolarHBondContact OG1-OE1 2.86Å; L433-E440 HydrophobicContact CD2-CG 4.33Å; G434-E440 WeakPolarHBondContact O-CA 3.34Å; E440-L486 HydrophobicContact CG-CD1 3.87Å; E440-L486 WeakPolarHBondContact OE2-CD1 3.29Å
441	T	98.7	Very high	98.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	155.9	-171.7	47.8	0	0	0	0	113	A401 V402 L433 G434 V436 P438 G439	A401-T441 HydrophobicContact CB-CG2 3.93Å; V402-T441 CarbonylContact O-C 3.55Å; V402-T441 VanDerWaalsContact O-CA 3.22Å; V402-T441 WeakPolarHBondContact O-CA 3.46Å; L433-T441 WeakPolarHBondContact CA-O 3.43Å; G434-T441 PolarHBondContact N-O 3.4Å; G434-T441 PolarHBondContact O-N 3.28Å; G434-T441 PolarHBondContact O-OG1 2.92Å; V436-T441 HydrophobicContact CB-CG2 4.33Å; P438-T441 HydrophobicContact CG-CG2 3.58Å; G439-T441 PolarHBondContact O-N 3.12Å
442	V	98.7	Very high	98.2	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	158	165.1	-68.8	0	0	0	0	110	V402 T404 Y413 F422 P431 L433	V402-V442 HydrophobicContact CB-CG2 4.04Å; V402-V442 PolarHBondContact N-O 3.48Å; V402-V442 PolarHBondContact O-N 2.94Å; T404-V442 HydrophobicContact CG2-CG1 3.9Å; Y413-V442 HydrophobicContact CD2-CG2 3.87Å; Y413-V442 HydrophobicContact CE2-CG1 4.38Å; Y413-V442 HydrophobicContact CE2-CG2 3.87Å; F422-V442 HydrophobicContact CB-CB 4.38Å; F422-V442 HydrophobicContact CD1-CB 4.07Å; F422-V442 HydrophobicContact CD1-CG2 3.64Å; F422-V442 HydrophobicContact CD2-CB 4.3Å; F422-V442 HydrophobicContact CD2-CG2 3.82Å; F422-V442 HydrophobicContact CE1-CB 4.46Å; F422-V442 HydrophobicContact CE1-CG2 3.55Å; F422-V442 HydrophobicContact CE2-CG2 3.7Å; F422-V442 HydrophobicContact CG-CB 4Å; F422-V442 HydrophobicContact CG-CG2 3.79Å; F422-V442 HydrophobicContact CZ-CG2 3.58Å; P431-V442 HydrophobicContact CB-CB 4.32Å; P431-V442 HydrophobicContact CB-CG1 3.66Å; L433-V442 HydrophobicContact CD2-CG1 3.78Å
443	F	98.8	Very high	98.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.166	C	C	.	.			trans	-113.7	120	-173.4	-63.1	-94.9	0	0	0	110.7	A401 F422 I423 I432 V436 P478 A479 N480 I514	A401-F443 HydrophobicContact CB-CD1 4.34Å; A401-F443 HydrophobicContact CB-CE1 4.08Å; F422-F443 CarbonylContact C-O 3.59Å; F422-F443 WeakPolarHBondContact CA-O 3.44Å; I423-F443 HydrophobicContact CD1-CB 4.11Å; I423-F443 PolarHBondContact N-O 3.33Å; I432-F443 HydrophobicContact CG2-CD2 4.15Å; V436-F443 HydrophobicContact CG2-CE1 4.28Å; V436-F443 HydrophobicContact CG2-CZ 4.18Å; F443-P478 HydrophobicContact CD1-CB 4.01Å; F443-P478 HydrophobicContact CD1-CG 4.49Å; F443-P478 HydrophobicContact CE1-CB 4.24Å; F443-A479 WeakPolarHBondContact CE1-O 3.44Å; F443-N480 HydrophobicContact CZ-CB 4.18Å; F443-I514 HydrophobicContact CD1-CG2 4.28Å; F443-I514 HydrophobicContact CD2-CG2 3.67Å; F443-I514 HydrophobicContact CE1-CG2 4.1Å; F443-I514 HydrophobicContact CE2-CG2 3.48Å; F443-I514 VanDerWaalsContact CE2-CG2 3.48Å; F443-I514 HydrophobicContact CG-CG2 4.07Å; F443-I514 HydrophobicContact CZ-CG2 3.71Å
444	P	98.7	Very high	98.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-62.6	136.7	174.2	-21.9	33	0	0	0	112.2	P400 V402 I421 F422 F446 W454 Y532	P400-P444 WeakPolarHBondContact O-CD 3.45Å; P400-P444 WeakPolarHBondContact O-CG 3.21Å; V402-P444 HydrophobicContact CG2-CG 3.86Å; I421-P444 HydrophobicContact CD1-CB 4.49Å; F422-P444 HydrophobicContact CD1-CG 4.35Å; F422-P444 HydrophobicContact CE1-CG 4.19Å; P444-F446 HydrophobicContact CB-CE1 4.45Å; P444-F446 HydrophobicContact CB-CE2 4.12Å; P444-F446 HydrophobicContact CB-CZ 4.06Å; P444-F446 HydrophobicContact CG-CZ 4.37Å; P444-F446 PolarHBondContact O-N 3.1Å; P444-W454 HydrophobicContact CB-CH2 4.15Å; P444-W454 HydrophobicContact CB-CZ3 3.85Å; P444-W454 HydrophobicContact CG-CH2 3.58Å; P444-W454 HydrophobicContact CG-CZ3 3.78Å; P444-Y532 VanDerWaalsContact O-CE2 3.25Å; P444-Y532 WeakPolarHBondContact O-CE2 3.36Å; P444-Y532 PolarHBondContact O-OH 3.35Å; P444-Y532 VanDerWaalsContact O-OH 3.09Å
445	D	98.7	Very high	98.2	Very high	4 Å²	4	27 Å²	27	2%	0.021	15%	0.151	C	C	.	.			trans	-88.3	95.4	167.7	-179.7	15	0	0	0	109.8	I421 I423 S447 H448 A451 H520 Y521	I421-D445 WeakPolarHBondContact O-CB 3.45Å; I421-D445 PolarHBondContact O-N 3.22Å; I423-D445 HydrophobicContact CG1-CB 3.85Å; D445-S447 VanDerWaalsContact CG-OG 3.26Å; D445-S447 PolarHBondContact O-N 2.97Å; D445-S447 VanDerWaalsContact O-N 3.1Å; D445-S447 WeakPolarHBondContact OD1-CB 3.17Å; D445-S447 PolarHBondContact OD1-N 2.79Å; D445-S447 VanDerWaalsContact OD1-N 3.09Å; D445-S447 PolarHBondContact OD1-OG 3.14Å; D445-S447 PolarHBondContact OD2-OG 3.14Å; D445-H448 HydrophobicContact CB-CB 4.26Å; D445-H448 WeakPolarHBondContact O-CB 3.23Å; D445-H448 PolarHBondContact O-N 3.29Å; D445-A451 WeakPolarHBondContact O-CB 3.28Å; D445-H520 IonicContact OD1-CE1 2.62Å; D445-H520 IonicContact OD1-CG 3.95Å; D445-H520 IonicContact OD1-ND1 3.63Å; D445-H520 PolarHBondContact OD1-ND1 3.46Å; D445-H520 WeakPolarHBondContact OD2-CA 3.12Å; D445-H520 WeakPolarHBondContact OD2-CB 3.45Å; D445-H520 IonicContact OD2-ND1 2.75Å; D445-Y521 WeakPolarHBondContact OD2-CB 3.48Å; D445-Y521 PolarHBondContact OD2-N 3.28Å
446	F	98.4	Very high	98.2	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.018	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-7.5	178.7	-66.8	-75.3	0	0	0	114.2	P400 P444 W455 Y532 D535 M536 V539	P400-F446 HydrophobicContact CB-CE2 3.97Å; P400-F446 HydrophobicContact CB-CZ 4.39Å; P444-F446 HydrophobicContact CB-CE1 4.45Å; P444-F446 HydrophobicContact CB-CE2 4.12Å; P444-F446 HydrophobicContact CB-CZ 4.06Å; P444-F446 HydrophobicContact CG-CZ 4.37Å; P444-F446 PolarHBondContact O-N 3.1Å; F446-W455 HydrophobicContact CE1-CD2 4.21Å; F446-W455 HydrophobicContact CE1-CE3 4.3Å; F446-W455 HydrophobicContact CZ-CH2 4.46Å; F446-W455 HydrophobicContact CZ-CZ3 4.45Å; F446-Y532 HydrophobicContact CD2-CE1 4.14Å; F446-Y532 HydrophobicContact CD2-CE2 4.31Å; F446-Y532 AromaticContact CD2-CZ 3.93Å; F446-Y532 HydrophobicContact CE2-CE1 4.01Å; F446-Y532 AromaticContact CE2-CZ 3.89Å; F446-D535 HydrophobicContact CB-CB 3.8Å; F446-M536 HydrophobicContact CD1-CB 4.47Å; F446-M536 HydrophobicContact CD1-CG 4.46Å; F446-M536 HydrophobicContact CD2-CB 3.7Å; F446-M536 HydrophobicContact CD2-CG 4.07Å; F446-M536 HydrophobicContact CE1-CG 4.04Å; F446-M536 HydrophobicContact CE2-CB 3.75Å; F446-M536 HydrophobicContact CE2-CG 3.6Å; F446-M536 HydrophobicContact CE2-SD 3.93Å; F446-M536 HydrophobicContact CG-CB 4.09Å; F446-M536 HydrophobicContact CG-CG 4.48Å; F446-M536 HydrophobicContact CZ-CB 4.17Å; F446-M536 HydrophobicContact CZ-CE 4.12Å; F446-M536 HydrophobicContact CZ-CG 3.59Å; F446-M536 HydrophobicContact CZ-SD 4.07Å; F446-V539 HydrophobicContact CB-CG2 4.24Å; F446-V539 HydrophobicContact CD1-CB 4.12Å; F446-V539 HydrophobicContact CD1-CG1 4.07Å; F446-V539 HydrophobicContact CD1-CG2 4.33Å
447	S	96.6	Very high	98.2	Very high	27 Å²	27	31 Å²	31	19%	0.189	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-13.1	170.1	79.5	0	0	0	0	113.3	D445	D445-S447 VanDerWaalsContact CG-OG 3.26Å; D445-S447 PolarHBondContact O-N 2.97Å; D445-S447 VanDerWaalsContact O-N 3.1Å; D445-S447 WeakPolarHBondContact OD1-CB 3.17Å; D445-S447 PolarHBondContact OD1-N 2.79Å; D445-S447 VanDerWaalsContact OD1-N 3.09Å; D445-S447 PolarHBondContact OD1-OG 3.14Å; D445-S447 PolarHBondContact OD2-OG 3.14Å
448	H	98.1	Very high	98.2	Very high	29 Å²	29	27.6 Å²	27.6	13%	0.134	16%	0.155	C	C	.	.	S	Bend	trans	-70.2	134.1	178.8	-169.9	-76.5	0	0	0	110.6	D445 S450 A451 Y521	D445-H448 HydrophobicContact CB-CB 4.26Å; D445-H448 WeakPolarHBondContact O-CB 3.23Å; D445-H448 PolarHBondContact O-N 3.29Å; H448-S450 PolarHBondContact ND1-N 3.22Å; H448-S450 VanDerWaalsContact ND1-N 3.11Å; H448-S450 PolarHBondContact O-N 3.45Å; H448-S450 VanDerWaalsContact O-N 3.08Å; H448-A451 HydrophobicContact CB-CB 4.31Å; H448-A451 VanDerWaalsContact O-CB 3.27Å; H448-A451 WeakPolarHBondContact O-CB 3.32Å; H448-A451 PolarHBondContact O-N 3.34Å; H448-Y521 AromaticContact CD2-CD2 3.31Å; H448-Y521 WeakPolarHBondContact CD2-CD2 3.5Å; H448-Y521 AromaticContact CD2-CG 3.8Å; H448-Y521 AromaticContact NE2-CD2 3.6Å; H448-Y521 AromaticContact NE2-CE2 3.87Å
449	P	96.8	Very high	98.2	Very high	83 Å²	83	26.6 Å²	26.6	54%	0.539	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.4	-174.8	19.4	-31	0	0	0	114.4	Y521	P449-Y521 HydrophobicContact CG-CE1 4.06Å
450	S	98	Very high	98.2	Very high	39 Å²	39	26.4 Å²	26.4	27%	0.273	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-5.8	175.4	-49.7	0	0	0	0	115.2	H448 E452 W454	H448-S450 PolarHBondContact ND1-N 3.22Å; H448-S450 VanDerWaalsContact ND1-N 3.11Å; H448-S450 PolarHBondContact O-N 3.45Å; H448-S450 VanDerWaalsContact O-N 3.08Å; S450-E452 VanDerWaalsContact C-N 3.35Å; S450-E452 PolarHBondContact O-N 3.23Å; S450-W454 PolarHBondContact O-N 3.42Å
451	A	98.2	Very high	98.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.6	-37.1	-177.7	0	0	0	0	0	112	D445 H448 W454 W455	D445-A451 WeakPolarHBondContact O-CB 3.28Å; H448-A451 HydrophobicContact CB-CB 4.31Å; H448-A451 VanDerWaalsContact O-CB 3.27Å; H448-A451 WeakPolarHBondContact O-CB 3.32Å; H448-A451 PolarHBondContact O-N 3.34Å; A451-W454 PolarHBondContact O-N 3.19Å; A451-W455 WeakPolarHBondContact O-CB 3.16Å; A451-W455 PolarHBondContact O-N 3.19Å
452	E	98.3	Very high	98.2	Very high	57 Å²	57	27.2 Å²	27.2	27%	0.266	15%	0.148	S	C	.	.	H	α-helix	trans	-64.5	-43.3	178.8	-172.9	175.3	132	0	0	112.3	S450 W455 F456 V539 N542 V543	S450-E452 VanDerWaalsContact C-N 3.35Å; S450-E452 PolarHBondContact O-N 3.23Å; E452-W455 PolarHBondContact O-N 3.26Å; E452-F456 VanDerWaalsContact O-CB 3.25Å; E452-F456 WeakPolarHBondContact O-CB 3.48Å; E452-F456 PolarHBondContact O-N 3.31Å; E452-V539 HydrophobicContact CB-CG1 4.12Å; E452-V539 HydrophobicContact CG-CG1 4.25Å; E452-N542 HydrophobicContact CG-CB 4.39Å; E452-N542 WeakPolarHBondContact OE1-CB 3.43Å; E452-N542 PolarHBondContact OE2-ND2 2.89Å; E452-V543 HydrophobicContact CG-CG2 4.1Å
453	D	98.4	Very high	98.1	Very high	92 Å²	92	28.7 Å²	28.7	49%	0.492	16%	0.155	S	C	.	.	H	α-helix	trans	-67.2	-37.8	176.6	-83.2	-33.4	0	0	0	112.5	K457 R546	D453-K457 WeakPolarHBondContact O-CB 3.4Å; D453-K457 PolarHBondContact O-N 3.36Å; D453-R546 IonicContact OD1-CZ 2.96Å; D453-R546 IonicContact OD1-NH1 2.97Å; D453-R546 PolarHBondContact OD1-NH1 3.39Å; D453-R546 IonicContact OD1-NH2 2.68Å
454	W	98.5	Very high	98.1	Very high	6 Å²	6	36.3 Å²	36.3	2%	0.023	19%	0.188	C	C	.	.	H	α-helix	trans	-63.2	-44.9	173.7	168.1	82.2	0	0	0	111.8	V402 P412 L419 I421 P444 S450 A451 K457 S458	V402-W454 HydrophobicContact CG2-CH2 3.88Å; V402-W454 HydrophobicContact CG2-CZ2 3.97Å; P412-W454 HydrophobicContact CB-CZ2 4.25Å; P412-W454 WeakPolarHBondContact O-CZ2 3.44Å; P412-W454 PolarHBondContact O-NE1 3.03Å; L419-W454 HydrophobicContact CD1-CB 3.92Å; I421-W454 HydrophobicContact CD1-CB 4.1Å; I421-W454 HydrophobicContact CD1-CD2 3.3Å; I421-W454 HydrophobicContact CD1-CE3 3.41Å; I421-W454 VanDerWaalsContact CD1-CE3 3.41Å; I421-W454 HydrophobicContact CD1-CG 3.6Å; I421-W454 HydrophobicContact CD1-CH2 4.41Å; I421-W454 HydrophobicContact CD1-CZ2 4.32Å; I421-W454 HydrophobicContact CD1-CZ3 3.96Å; P444-W454 HydrophobicContact CB-CH2 4.15Å; P444-W454 HydrophobicContact CB-CZ3 3.85Å; P444-W454 HydrophobicContact CG-CH2 3.58Å; P444-W454 HydrophobicContact CG-CZ3 3.78Å; S450-W454 PolarHBondContact O-N 3.42Å; A451-W454 PolarHBondContact O-N 3.19Å; W454-K457 PolarHBondContact O-N 2.79Å; W454-S458 PolarHBondContact O-N 2.77Å; W454-S458 VanDerWaalsContact O-N 3.08Å; W454-S458 PolarHBondContact O-OG 2.97Å
455	W	98.5	Very high	98	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.8	-43.1	177.7	-162.7	-120.6	0	0	0	111.4	I367 W368 I398 F446 A451 E452 K457 S458 A459 M536 V539 T540 V543	I367-W455 HydrophobicContact CD1-CZ3 4.12Å; W368-W455 AromaticContact CE2-CZ3 3.91Å; W368-W455 HydrophobicContact CH2-CZ2 4.33Å; W368-W455 AromaticContact CZ2-CD2 3.89Å; W368-W455 HydrophobicContact CZ2-CD2 3.89Å; W368-W455 AromaticContact CZ2-CE2 3.72Å; W368-W455 AromaticContact CZ2-CE3 3.84Å; W368-W455 HydrophobicContact CZ2-CE3 3.84Å; W368-W455 AromaticContact CZ2-CH2 3.62Å; W368-W455 HydrophobicContact CZ2-CH2 3.62Å; W368-W455 AromaticContact CZ2-CZ2 3.6Å; W368-W455 HydrophobicContact CZ2-CZ2 3.6Å; W368-W455 AromaticContact CZ2-CZ3 3.73Å; W368-W455 HydrophobicContact CZ2-CZ3 3.73Å; W368-W455 AromaticContact NE1-CE3 3.89Å; W368-W455 AromaticContact NE1-CH2 3.99Å; W368-W455 AromaticContact NE1-CZ3 3.47Å; I398-W455 HydrophobicContact CG2-CH2 3.39Å; I398-W455 HydrophobicContact CG2-CZ2 3.68Å; I398-W455 HydrophobicContact CG2-CZ3 4.46Å; F446-W455 HydrophobicContact CE1-CD2 4.21Å; F446-W455 HydrophobicContact CE1-CE3 4.3Å; F446-W455 HydrophobicContact CZ-CH2 4.46Å; F446-W455 HydrophobicContact CZ-CZ3 4.45Å; A451-W455 WeakPolarHBondContact O-CB 3.16Å; A451-W455 PolarHBondContact O-N 3.19Å; E452-W455 PolarHBondContact O-N 3.26Å; W455-K457 VanDerWaalsContact C-N 3.35Å; W455-K457 PolarHBondContact O-N 2.88Å; W455-S458 PolarHBondContact O-N 3.09Å; W455-A459 WeakPolarHBondContact O-CB 3.33Å; W455-A459 PolarHBondContact O-N 3Å; W455-M536 HydrophobicContact CH2-CE 3.93Å; W455-M536 HydrophobicContact CZ2-CE 3.83Å; W455-V539 HydrophobicContact CB-CG1 4.01Å; W455-V539 HydrophobicContact CG-CG1 4.16Å; W455-T540 PolarHBondContact NE1-OG1 3.48Å; W455-V543 HydrophobicContact CB-CG2 4.1Å; W455-V543 HydrophobicContact CG-CG2 4.29Å
456	F	98.6	Very high	97.9	Very high	42 Å²	42	39.9 Å²	39.9	18%	0.184	21%	0.21	C	C	.	.	H	α-helix	trans	-56.6	-48.1	175.2	175.1	-103.3	0	0	0	111.7	E452 S460 V543 R546 M547	E452-F456 VanDerWaalsContact O-CB 3.25Å; E452-F456 WeakPolarHBondContact O-CB 3.48Å; E452-F456 PolarHBondContact O-N 3.31Å; F456-S460 WeakPolarHBondContact CE2-OG 3.37Å; F456-S460 WeakPolarHBondContact CZ-OG 3.41Å; F456-S460 WeakPolarHBondContact O-CB 3.1Å; F456-S460 PolarHBondContact O-N 2.85Å; F456-S460 PolarHBondContact O-OG 3.09Å; F456-V543 HydrophobicContact CB-CG1 4.37Å; F456-V543 HydrophobicContact CB-CG2 3.85Å; F456-V543 HydrophobicContact CD2-CG1 4.25Å; F456-R546 VanDerWaalsContact CD1-CZ 3.43Å; F456-R546 HydrophobicContact CD2-CB 4.07Å; F456-R546 VanDerWaalsContact CD2-CD 3.48Å; F456-R546 HydrophobicContact CD2-CG 3.88Å; F456-R546 HydrophobicContact CE2-CB 3.91Å; F456-R546 VanDerWaalsContact CE2-CD 3.47Å; F456-R546 HydrophobicContact CE2-CG 3.45Å; F456-R546 VanDerWaalsContact CE2-CG 3.45Å; F456-R546 HydrophobicContact CZ-CG 4Å; F456-M547 HydrophobicContact CD2-CG 3.89Å; F456-M547 HydrophobicContact CE2-CG 3.51Å
457	K	98.2	Very high	97.8	Very high	82 Å²	82	44.3 Å²	44.3	36%	0.357	23%	0.234	S	C	.	.	H	α-helix	trans	-61.8	-47.3	179.4	-174.2	-173.7	177.1	-57.9	0	110.8	D415 D453 W454 W455 S460 D461	D415-K457 IonicContact OD2-NZ 2.8Å; D453-K457 WeakPolarHBondContact O-CB 3.4Å; D453-K457 PolarHBondContact O-N 3.36Å; W454-K457 PolarHBondContact O-N 2.79Å; W455-K457 VanDerWaalsContact C-N 3.35Å; W455-K457 PolarHBondContact O-N 2.88Å; K457-S460 PolarHBondContact O-N 3.18Å; K457-D461 IonicContact NZ-OD2 3.01Å; K457-D461 PolarHBondContact NZ-OD2 3.1Å; K457-D461 WeakPolarHBondContact O-CB 3.38Å; K457-D461 PolarHBondContact O-N 3.03Å
458	S	98	Very high	97.9	Very high	11 Å²	11	43.1 Å²	43.1	8%	0.077	23%	0.225	C	C	.	.	H	α-helix	trans	-61.9	-48.4	-179.5	-57.4	0	0	0	0	111.6	W454 W455 D461 F462	W454-S458 PolarHBondContact O-N 2.77Å; W454-S458 VanDerWaalsContact O-N 3.08Å; W454-S458 PolarHBondContact O-OG 2.97Å; W455-S458 PolarHBondContact O-N 3.09Å; S458-D461 PolarHBondContact O-N 2.97Å; S458-F462 WeakPolarHBondContact O-CB 3.32Å; S458-F462 PolarHBondContact O-N 2.71Å
459	A	98.5	Very high	97.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.1	-43.9	177.7	0	0	0	0	0	112.5	W368 W455 F462 H463 V543 M547	W368-A459 HydrophobicContact CH2-CB 3.61Å; W368-A459 HydrophobicContact CZ2-CB 4.26Å; W368-A459 HydrophobicContact CZ3-CB 3.97Å; W455-A459 WeakPolarHBondContact O-CB 3.33Å; W455-A459 PolarHBondContact O-N 3Å; A459-F462 PolarHBondContact O-N 2.62Å; A459-H463 VanDerWaalsContact O-CB 3.29Å; A459-H463 WeakPolarHBondContact O-CB 3.37Å; A459-H463 PolarHBondContact O-N 3.01Å; A459-V543 HydrophobicContact CB-CG1 3.77Å; A459-M547 HydrophobicContact CB-CE 4.4Å; A459-M547 HydrophobicContact CB-SD 3.71Å
460	S	98.2	Very high	97.9	Very high	23 Å²	23	39.2 Å²	39.2	16%	0.161	20%	0.201	C	C	.	.	H	α-helix	trans	-65.8	-39.9	179.2	-64.4	0	0	0	0	112.8	F456 K457 M547	F456-S460 WeakPolarHBondContact CE2-OG 3.37Å; F456-S460 WeakPolarHBondContact CZ-OG 3.41Å; F456-S460 WeakPolarHBondContact O-CB 3.1Å; F456-S460 PolarHBondContact O-N 2.85Å; F456-S460 PolarHBondContact O-OG 3.09Å; K457-S460 PolarHBondContact O-N 3.18Å; S460-M547 WeakPolarHBondContact OG-CG 3.28Å
461	D	97.5	Very high	98	Very high	61 Å²	61	37.4 Å²	37.4	33%	0.326	19%	0.188	S	C	.	.	H	α-helix	trans	-69.4	-40.7	176.5	-74.5	-23	0	0	0	110.8	K457 S458 K464	K457-D461 IonicContact NZ-OD2 3.01Å; K457-D461 PolarHBondContact NZ-OD2 3.1Å; K457-D461 WeakPolarHBondContact O-CB 3.38Å; K457-D461 PolarHBondContact O-N 3.03Å; S458-D461 PolarHBondContact O-N 2.97Å; D461-K464 WeakPolarHBondContact O-CB 3.25Å; D461-K464 PolarHBondContact O-N 3.03Å; D461-K464 IonicContact OD1-NZ 3.58Å; D461-K464 PolarHBondContact OD1-NZ 2.53Å
462	F	98	Very high	98	Very high	10 Å²	10	37.5 Å²	37.5	4%	0.044	19%	0.188	C	C	.	.	H	α-helix	trans	-71	-32.1	178.2	-162.4	-115.6	0	0	0	113.3	Y361 W368 V370 L396 S458 A459 K464 V465 I466 F468	Y361-F462 HydrophobicContact CE2-CE1 4.09Å; Y361-F462 AromaticContact CE2-CZ 3.86Å; Y361-F462 HydrophobicContact CE2-CZ 3.86Å; W368-F462 VanDerWaalsContact C-CD2 3.43Å; W368-F462 HydrophobicContact CB-CB 4.42Å; W368-F462 HydrophobicContact CB-CD2 4.26Å; W368-F462 HydrophobicContact CB-CG 4.33Å; W368-F462 HydrophobicContact CD2-CB 4.43Å; W368-F462 HydrophobicContact CE3-CB 3.56Å; W368-F462 AromaticContact CE3-CD1 3.71Å; W368-F462 HydrophobicContact CE3-CD1 3.71Å; W368-F462 AromaticContact CE3-CG 3.77Å; W368-F462 HydrophobicContact CE3-CG 3.77Å; W368-F462 HydrophobicContact CZ3-CB 4.23Å; W368-F462 HydrophobicContact CZ3-CD1 4.21Å; W368-F462 WeakPolarHBondContact O-CD2 3.41Å; W368-F462 WeakPolarHBondContact O-CE2 3.21Å; V370-F462 HydrophobicContact CG2-CE2 3.87Å; V370-F462 HydrophobicContact CG2-CZ 3.73Å; L396-F462 HydrophobicContact CD1-CD1 4.44Å; L396-F462 HydrophobicContact CD1-CE1 3.8Å; S458-F462 WeakPolarHBondContact O-CB 3.32Å; S458-F462 PolarHBondContact O-N 2.71Å; A459-F462 PolarHBondContact O-N 2.62Å; F462-K464 PolarHBondContact O-N 2.55Å; F462-V465 HydrophobicContact CD2-CB 4.38Å; F462-V465 HydrophobicContact CD2-CG2 4.47Å; F462-V465 WeakPolarHBondContact O-CA 2.96Å; F462-V465 VanDerWaalsContact O-CB 3.31Å; F462-V465 WeakPolarHBondContact O-CB 3.36Å; F462-V465 PolarHBondContact O-N 3.46Å; F462-I466 HydrophobicContact CE1-CD1 4.26Å; F462-I466 HydrophobicContact CZ-CD1 4.03Å; F462-I466 HydrophobicContact CZ-CG1 4.49Å; F462-I466 PolarHBondContact O-N 3.25Å; F462-F468 HydrophobicContact CD1-CD1 4.47Å; F462-F468 HydrophobicContact CD1-CE1 4.24Å
463	H	98	Very high	98	Very high	33 Å²	33	34.8 Å²	34.8	15%	0.153	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-23.2	175.1	-173.8	-95.6	0	0	0	113	A459 V465 I466 N467 F468 M547 F548	A459-H463 VanDerWaalsContact O-CB 3.29Å; A459-H463 WeakPolarHBondContact O-CB 3.37Å; A459-H463 PolarHBondContact O-N 3.01Å; H463-V465 VanDerWaalsContact C-N 3.27Å; H463-I466 CarbonylContact C-O 3.56Å; H463-I466 VanDerWaalsContact CA-O 3.31Å; H463-I466 WeakPolarHBondContact CA-O 3.12Å; H463-I466 CarbonylContact O-C 3.49Å; H463-N467 PolarHBondContact CE1-OD1 2.6Å; H463-N467 PolarHBondContact NE2-OD1 2.95Å; H463-N467 VanDerWaalsContact NE2-OD1 3.08Å; H463-F468 HydrophobicContact CB-CD1 4.48Å; H463-F468 HydrophobicContact CB-CE1 3.75Å; H463-F468 HydrophobicContact CB-CZ 3.99Å; H463-F468 AromaticContact CD2-CE1 3.94Å; H463-F468 PolarHBondContact NE2-O 3.18Å; H463-M547 HydrophobicContact CB-CE 3.64Å; H463-F548 AromaticContact CD2-CZ 3.64Å; H463-F548 AromaticContact CE1-CE1 3.7Å; H463-F548 AromaticContact CE1-CZ 3.63Å; H463-F548 AromaticContact CG-CZ 3.99Å; H463-F548 AromaticContact ND1-CZ 3.98Å; H463-F548 AromaticContact NE2-CE1 3.86Å; H463-F548 AromaticContact NE2-CZ 3.4Å; H463-F548 WeakPolarHBondContact NE2-CZ 3.3Å
464	K	97.2	Very high	98	Very high	160 Å²	160	31 Å²	31	70%	0.696	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-21.8	171.3	-60.6	164.1	-167.8	161.1	0	112.5	D461 F462	D461-K464 WeakPolarHBondContact O-CB 3.25Å; D461-K464 PolarHBondContact O-N 3.03Å; D461-K464 IonicContact OD1-NZ 3.58Å; D461-K464 PolarHBondContact OD1-NZ 2.53Å; F462-K464 PolarHBondContact O-N 2.55Å
465	V	96.8	Very high	98	Very high	78 Å²	78	31 Å²	31	47%	0.473	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-52.5	176.4	-174.4	0	0	0	0	109.8	V370 D379 F462 H463	V370-V465 HydrophobicContact CG2-CG1 4.26Å; D379-V465 WeakPolarHBondContact CB-O 3.44Å; F462-V465 HydrophobicContact CD2-CB 4.38Å; F462-V465 HydrophobicContact CD2-CG2 4.47Å; F462-V465 WeakPolarHBondContact O-CA 2.96Å; F462-V465 VanDerWaalsContact O-CB 3.31Å; F462-V465 WeakPolarHBondContact O-CB 3.36Å; F462-V465 PolarHBondContact O-N 3.46Å; H463-V465 VanDerWaalsContact C-N 3.27Å
466	I	97.3	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-126	118.2	176.6	-54.4	179.9	0	0	0	108.6	V370 I378 V382 L396 F462 H463 F468	V370-I466 HydrophobicContact CG2-CD1 3.67Å; V370-I466 HydrophobicContact CG2-CG1 4.29Å; I378-I466 HydrophobicContact CD1-CD1 4.02Å; I378-I466 HydrophobicContact CG1-CD1 4.25Å; I378-I466 HydrophobicContact CG2-CD1 3.6Å; I378-I466 HydrophobicContact CG2-CG1 3.98Å; V382-I466 HydrophobicContact CG2-CG2 4.03Å; L396-I466 HydrophobicContact CD1-CB 4.3Å; L396-I466 HydrophobicContact CD1-CD1 4.27Å; L396-I466 HydrophobicContact CD1-CG2 4.11Å; F462-I466 HydrophobicContact CE1-CD1 4.26Å; F462-I466 HydrophobicContact CZ-CD1 4.03Å; F462-I466 HydrophobicContact CZ-CG1 4.49Å; F462-I466 PolarHBondContact O-N 3.25Å; H463-I466 CarbonylContact C-O 3.56Å; H463-I466 VanDerWaalsContact CA-O 3.31Å; H463-I466 WeakPolarHBondContact CA-O 3.12Å; H463-I466 CarbonylContact O-C 3.49Å; I466-F468 WeakPolarHBondContact O-CD1 3.32Å; I466-F468 PolarHBondContact O-N 3.41Å
467	N	95.9	Very high	98.1	Very high	98 Å²	98	29 Å²	29	52%	0.524	15%	0.147	S	C	.	.			trans	-76.9	74.2	176.1	-169.8	-31.4	0	0	0	110	V382 H463	V382-N467 WeakPolarHBondContact CG1-O 3.45Å; H463-N467 PolarHBondContact CE1-OD1 2.6Å; H463-N467 PolarHBondContact NE2-OD1 2.95Å; H463-N467 VanDerWaalsContact NE2-OD1 3.08Å
468	F	97.8	Very high	98.1	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	13%	0.13	C	C	.	.			trans	-75.8	149.7	177.9	60.2	-100.7	0	0	0	111.5	L396 F462 H463 I466 L471 L544 M547	L396-F468 HydrophobicContact CD1-CB 3.83Å; L396-F468 HydrophobicContact CD1-CD1 3.87Å; L396-F468 HydrophobicContact CD1-CG 4.13Å; L396-F468 HydrophobicContact CG-CB 3.91Å; F462-F468 HydrophobicContact CD1-CD1 4.47Å; F462-F468 HydrophobicContact CD1-CE1 4.24Å; H463-F468 HydrophobicContact CB-CD1 4.48Å; H463-F468 HydrophobicContact CB-CE1 3.75Å; H463-F468 HydrophobicContact CB-CZ 3.99Å; H463-F468 AromaticContact CD2-CE1 3.94Å; H463-F468 PolarHBondContact NE2-O 3.18Å; I466-F468 WeakPolarHBondContact O-CD1 3.32Å; I466-F468 PolarHBondContact O-N 3.41Å; F468-L471 HydrophobicContact CD2-CD2 3.76Å; F468-L471 HydrophobicContact CD2-CG 4.19Å; F468-L471 HydrophobicContact CE2-CD1 4.19Å; F468-L471 HydrophobicContact CE2-CD2 3.65Å; F468-L471 HydrophobicContact CE2-CG 3.87Å; F468-L471 HydrophobicContact CG-CD2 4.28Å; F468-L471 HydrophobicContact CZ-CD2 4.05Å; F468-L544 HydrophobicContact CE2-CD2 4.08Å; F468-M547 HydrophobicContact CZ-CE 4.21Å
469	D	97.7	Very high	98.1	Very high	31 Å²	31	24.7 Å²	24.7	17%	0.166	13%	0.127	C	C	.	.	S	Bend	trans	-100.1	-16.3	-179.2	-65.3	-79.4	0	0	0	113.3	W321 R387 R393 T394	W321-D469 HydrophobicContact CZ2-CB 4.27Å; R387-D469 IonicContact CZ-OD1 3.46Å; R387-D469 IonicContact NH1-OD1 3.6Å; R387-D469 PolarHBondContact NH1-OD1 3.43Å; R387-D469 IonicContact NH1-OD2 3.96Å; R393-D469 WeakPolarHBondContact CA-OD2 3.22Å; R393-D469 HydrophobicContact CB-CB 3.99Å; R393-D469 WeakPolarHBondContact CB-OD2 3.37Å; R393-D469 WeakPolarHBondContact CD-OD1 3.5Å; R393-D469 WeakPolarHBondContact CD-OD2 3.44Å; R393-D469 HydrophobicContact CG-CB 4.46Å; T394-D469 PolarHBondContact N-OD2 3.23Å; T394-D469 PolarHBondContact O-N 2.84Å
470	G	98.5	Very high	98.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	168.2	177.9	0	0	0	0	0	112.4	T394 V395 L396 F554	T394-G470 PolarHBondContact O-N 3.03Å; V395-G470 WeakPolarHBondContact CA-O 3.29Å; L396-G470 PolarHBondContact N-O 3.14Å; G470-F554 VanDerWaalsContact CA-O 3.29Å; G470-F554 WeakPolarHBondContact CA-O 3.42Å
471	L	98.8	Very high	98.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.1	-177.8	-65.5	178.1	0	0	0	111.3	W368 I398 F468 T540 L544 F554 I555 L556	W368-L471 HydrophobicContact CH2-CD1 4.25Å; I398-L471 HydrophobicContact CG1-CD2 3.94Å; F468-L471 HydrophobicContact CD2-CD2 3.76Å; F468-L471 HydrophobicContact CD2-CG 4.19Å; F468-L471 HydrophobicContact CE2-CD1 4.19Å; F468-L471 HydrophobicContact CE2-CD2 3.65Å; F468-L471 HydrophobicContact CE2-CG 3.87Å; F468-L471 HydrophobicContact CG-CD2 4.28Å; F468-L471 HydrophobicContact CZ-CD2 4.05Å; L471-T540 HydrophobicContact CB-CG2 4.39Å; L471-T540 HydrophobicContact CD1-CG2 3.77Å; L471-L544 HydrophobicContact CD1-CD1 4.37Å; L471-L544 HydrophobicContact CD1-CD2 4Å; L471-L544 HydrophobicContact CD1-CG 4.39Å; L471-L544 HydrophobicContact CG-CD1 4.47Å; L471-L544 HydrophobicContact CG-CD2 4.43Å; L471-F554 PolarHBondContact N-O 3.46Å; L471-I555 CarbonylContact O-C 3.47Å; L471-I555 VanDerWaalsContact O-CA 3.26Å; L471-I555 WeakPolarHBondContact O-CA 3.42Å; L471-L556 PolarHBondContact O-N 3.3Å
472	W	98.9	Very high	98.1	Very high	3 Å²	3	27 Å²	27	1%	0.011	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	109.2	169.7	168.2	18.6	0	0	0	107.8	W356 D358 V395 L396 I397 I398 D474 L556 W571 H632	W356-W472 HydrophobicContact CE3-CB 4.12Å; W356-W472 HydrophobicContact CE3-CD2 4.21Å; W356-W472 AromaticContact CE3-CE3 3.82Å; W356-W472 HydrophobicContact CE3-CE3 3.82Å; W356-W472 HydrophobicContact CE3-CG 4.35Å; W356-W472 HydrophobicContact CZ3-CB 3.67Å; W356-W472 HydrophobicContact CZ3-CD2 4.11Å; W356-W472 HydrophobicContact CZ3-CE3 4.21Å; W356-W472 AromaticContact CZ3-CG 3.89Å; W356-W472 HydrophobicContact CZ3-CG 3.89Å; D358-W472 HydrophobicContact CB-CZ3 4.35Å; D358-W472 WeakPolarHBondContact OD2-CH2 3.39Å; V395-W472 HydrophobicContact CG1-CB 4.06Å; L396-W472 PolarHBondContact O-N 3.42Å; I397-W472 CarbonylContact C-O 3.54Å; I397-W472 VanDerWaalsContact CA-O 3.24Å; I397-W472 WeakPolarHBondContact CA-O 3.13Å; I397-W472 HydrophobicContact CB-CD2 3.9Å; I397-W472 HydrophobicContact CB-CE3 3.56Å; I397-W472 HydrophobicContact CB-CG 4.36Å; I397-W472 HydrophobicContact CB-CZ3 4.01Å; I397-W472 HydrophobicContact CD1-CD2 3.92Å; I397-W472 HydrophobicContact CD1-CE3 3.92Å; I397-W472 HydrophobicContact CD1-CH2 3.61Å; I397-W472 HydrophobicContact CD1-CZ2 3.61Å; I397-W472 HydrophobicContact CD1-CZ3 3.77Å; I397-W472 HydrophobicContact CG1-CD2 3.64Å; I397-W472 HydrophobicContact CG1-CE3 3.77Å; I397-W472 HydrophobicContact CG1-CG 4.05Å; I397-W472 HydrophobicContact CG1-CH2 4.39Å; I397-W472 HydrophobicContact CG1-CZ2 4.29Å; I397-W472 HydrophobicContact CG1-CZ3 4.15Å; I398-W472 PolarHBondContact N-O 2.9Å; W472-D474 HydrophobicContact CZ2-CB 4.41Å; W472-D474 WeakPolarHBondContact CZ2-OD2 3.5Å; W472-L556 CarbonylContact C-O 3.3Å; W472-L556 WeakPolarHBondContact CA-O 3.36Å; W472-L556 HydrophobicContact CG-CD2 4.36Å; W472-W571 AromaticContact CD1-CH2 3.61Å; W472-W571 AromaticContact CD1-CZ3 3.58Å; W472-W571 AromaticContact CE2-CH2 3.84Å; W472-W571 AromaticContact CE2-CZ2 3.98Å; W472-W571 HydrophobicContact CZ2-CH2 4.3Å; W472-W571 AromaticContact CZ2-CZ2 3.99Å; W472-W571 HydrophobicContact CZ2-CZ2 3.99Å; W472-W571 AromaticContact NE1-CH2 2.83Å; W472-W571 AromaticContact NE1-CZ2 3.39Å; W472-W571 AromaticContact NE1-CZ3 3.27Å; W472-W571 VanDerWaalsContact NE1-CZ3 3.27Å; W472-H632 AromaticContact CH2-CE1 3.71Å; W472-H632 AromaticContact CH2-NE2 3.43Å; W472-H632 WeakPolarHBondContact CH2-NE2 3.27Å
473	I	98.9	Very high	98	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	111.4	179.1	58	174.7	0	0	0	109.5	I398 M536 A537 T540 I555 L556 T557 R558	I398-I473 WeakPolarHBondContact O-CA 3.47Å; I473-M536 HydrophobicContact CB-CE 3.7Å; I473-M536 HydrophobicContact CB-SD 4.02Å; I473-M536 HydrophobicContact CD1-CB 4.41Å; I473-M536 HydrophobicContact CD1-CG 3.96Å; I473-M536 HydrophobicContact CD1-SD 4.36Å; I473-M536 HydrophobicContact CG2-CE 3.69Å; I473-M536 HydrophobicContact CG2-SD 4.49Å; I473-A537 HydrophobicContact CD1-CB 3.9Å; I473-T540 HydrophobicContact CG2-CG2 4.31Å; I473-I555 HydrophobicContact CD1-CG2 3.77Å; I473-I555 HydrophobicContact CG1-CG2 3.86Å; I473-L556 WeakPolarHBondContact CG1-O 3.4Å; I473-L556 PolarHBondContact N-O 3.37Å; I473-T557 WeakPolarHBondContact O-CA 3.38Å; I473-R558 PolarHBondContact O-N 2.79Å
474	D	98.8	Very high	98	Very high	11 Å²	11	27.8 Å²	27.8	6%	0.059	14%	0.144	C	C	.	.			trans	-117.1	174	-174	-157.9	7.4	0	0	0	111.6	I397 I398 P400 W472 N476 R558 W571	I397-D474 HydrophobicContact CD1-CB 3.7Å; I397-D474 HydrophobicContact CG1-CB 3.91Å; I398-D474 PolarHBondContact O-N 3.15Å; P400-D474 WeakPolarHBondContact CD-O 3.48Å; W472-D474 HydrophobicContact CZ2-CB 4.41Å; W472-D474 WeakPolarHBondContact CZ2-OD2 3.5Å; D474-N476 PolarHBondContact O-N 3.03Å; D474-N476 VanDerWaalsContact O-N 3.08Å; D474-R558 WeakPolarHBondContact OD1-CD 3.28Å; D474-R558 IonicContact OD1-CZ 3.63Å; D474-R558 IonicContact OD1-NE 2.67Å; D474-R558 PolarHBondContact OD1-NE 3.03Å; D474-R558 IonicContact OD1-NH1 3.49Å; D474-R558 PolarHBondContact OD1-NH1 3.07Å; D474-R558 IonicContact OD1-NH2 3.22Å; D474-R558 IonicContact OD2-NH1 3.93Å; D474-W571 HydrophobicContact CB-CH2 4.26Å; D474-W571 WeakPolarHBondContact OD1-CH2 3.23Å
475	M	98.7	Very high	98.1	Very high	7 Å²	7	20.5 Å²	20.5	3%	0.034	11%	0.113	C	C	.	.	S	Bend	trans	58.9	26	175.1	-48.9	-55.6	-71.2	0	0	113.5	D399 P400 V436 A479 F481 R558	D399-M475 WeakPolarHBondContact OD1-CG 3.47Å; P400-M475 WeakPolarHBondContact CG-O 3.3Å; V436-M475 HydrophobicContact CG1-CE 4.47Å; M475-A479 HydrophobicContact CB-CB 4.1Å; M475-A479 HydrophobicContact CE-CB 3.63Å; M475-A479 PolarHBondContact O-N 2.99Å; M475-F481 HydrophobicContact CE-CE1 3.88Å; M475-F481 HydrophobicContact CE-CZ 4.44Å; M475-R558 PolarHBondContact SD-NH1 2.83Å; M475-R558 PolarHBondContact SD-NH2 2.89Å; M475-R558 VanDerWaalsContact SD-NH2 3.35Å
476	N	98.8	Very high	98.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	28.1	-165.1	68	-10.6	0	0	0	114.5	P400 D474 Y532 G533 M536 T557 S559	P400-N476 HydrophobicContact CG-CB 4.21Å; D474-N476 PolarHBondContact O-N 3.03Å; D474-N476 VanDerWaalsContact O-N 3.08Å; N476-Y532 HydrophobicContact CB-CD1 4.39Å; N476-Y532 HydrophobicContact CB-CE1 4.43Å; N476-Y532 WeakPolarHBondContact O-CD1 3.07Å; N476-G533 VanDerWaalsContact O-CA 3.27Å; N476-G533 WeakPolarHBondContact O-CA 3.12Å; N476-G533 PolarHBondContact O-N 2.79Å; N476-G533 VanDerWaalsContact O-N 3.14Å; N476-M536 HydrophobicContact CB-SD 3.53Å; N476-M536 VanDerWaalsContact CB-SD 3.53Å; N476-T557 PolarHBondContact ND2-OG1 2.98Å; N476-S559 VanDerWaalsContact O-CB 3.25Å; N476-S559 WeakPolarHBondContact O-CB 3.18Å; N476-S559 VanDerWaalsContact OD1-CB 3.29Å; N476-S559 WeakPolarHBondContact OD1-CB 3.32Å; N476-S559 PolarHBondContact OD1-N 3.22Å
477	E	98.8	Very high	97.9	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-37.2	166.7	-65.1	71.3	-147.3	0	0	114.8	Y246 H529 R558	Y246-E477 WeakPolarHBondContact CD1-OE1 3.4Å; E477-H529 VanDerWaalsContact O-O 3.11Å; E477-R558 IonicContact OE1-CZ 2.65Å; E477-R558 IonicContact OE1-NE 3.85Å; E477-R558 PolarHBondContact OE1-NE 2.77Å; E477-R558 IonicContact OE1-NH2 3.93Å; E477-R558 PolarHBondContact OE1-NH2 2.98Å; E477-R558 IonicContact OE2-CZ 3.59Å; E477-R558 IonicContact OE2-NE 3.4Å; E477-R558 IonicContact OE2-NH2 2.87Å; E477-R558 PolarHBondContact OE2-NH2 3.49Å
478	P	98.7	Very high	98	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	cis	-82.9	138.2	-0.1	31.9	-31.5	0	0	0	113.8	F443 T513 I514 Y532	F443-P478 HydrophobicContact CD1-CB 4.01Å; F443-P478 HydrophobicContact CD1-CG 4.49Å; F443-P478 HydrophobicContact CE1-CB 4.24Å; P478-T513 WeakPolarHBondContact O-CA 3.06Å; P478-T513 WeakPolarHBondContact O-CB 3.4Å; P478-T513 PolarHBondContact O-OG1 2.94Å; P478-I514 HydrophobicContact CG-CD1 4.4Å; P478-I514 HydrophobicContact CG-CG1 4.33Å; P478-Y532 HydrophobicContact CB-CD1 3.86Å; P478-Y532 HydrophobicContact CB-CD2 4.5Å; P478-Y532 HydrophobicContact CB-CE1 3.68Å; P478-Y532 HydrophobicContact CB-CE2 4.33Å; P478-Y532 HydrophobicContact CB-CG 4.26Å; P478-Y532 HydrophobicContact CG-CD1 4.17Å; P478-Y532 HydrophobicContact CG-CD2 4.06Å; P478-Y532 HydrophobicContact CG-CE1 4.28Å; P478-Y532 HydrophobicContact CG-CE2 4.16Å; P478-Y532 HydrophobicContact CG-CG 4.05Å
479	A	98.7	Very high	98	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.008	13%	0.133	C	C	.	.			trans	-74.8	141	176.6	0	0	0	0	0	111.9	D236 F443 M475 K512	D236-A479 HydrophobicContact CB-CB 3.65Å; F443-A479 WeakPolarHBondContact CE1-O 3.44Å; M475-A479 HydrophobicContact CB-CB 4.1Å; M475-A479 HydrophobicContact CE-CB 3.63Å; M475-A479 PolarHBondContact O-N 2.99Å; A479-K512 WeakPolarHBondContact CA-O 3.14Å
480	N	98.7	Very high	97.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.133	C	C	.	.			trans	-139.9	130.5	172.5	-171	2.8	0	0	0	109.3	G434 T435 F443 N482 G484 K512 I514	G434-N480 WeakPolarHBondContact CA-OD1 3.29Å; T435-N480 PolarHBondContact N-OD1 3.44Å; T435-N480 PolarHBondContact O-OD1 3.01Å; F443-N480 HydrophobicContact CZ-CB 4.18Å; N480-N482 WeakPolarHBondContact CB-O 3.39Å; N480-N482 PolarHBondContact ND2-O 2.88Å; N480-N482 PolarHBondContact O-N 3.48Å; N480-N482 PolarHBondContact OD1-N 2.86Å; N480-G484 PolarHBondContact ND2-O 2.85Å; N480-G484 VanDerWaalsContact ND2-O 3.07Å; N480-K512 PolarHBondContact N-O 2.99Å; N480-K512 CarbonylContact O-C 3.43Å; N480-K512 VanDerWaalsContact O-CA 3.3Å; N480-K512 WeakPolarHBondContact O-CA 3.49Å; N480-I514 HydrophobicContact CB-CG2 4.43Å
481	F	98.2	Very high	97.4	Very high	83 Å²	83	26.9 Å²	26.9	36%	0.364	17%	0.168	S	C	.	.	S	Bend	trans	-73.2	-17.3	178.3	-59.5	-14	0	0	0	112.2	T435 V436 W437 M475	T435-F481 HydrophobicContact CG2-CB 4.34Å; T435-F481 HydrophobicContact CG2-CD2 4.1Å; T435-F481 WeakPolarHBondContact O-CB 3.31Å; T435-F481 WeakPolarHBondContact O-CG 3.32Å; T435-F481 PolarHBondContact O-N 2.92Å; V436-F481 VanDerWaalsContact C-CE2 3.41Å; V436-F481 HydrophobicContact CG1-CE1 4.44Å; V436-F481 HydrophobicContact CG1-CZ 4.21Å; W437-F481 HydrophobicContact CD2-CE2 4.31Å; W437-F481 AromaticContact CD2-CZ 3.83Å; W437-F481 HydrophobicContact CD2-CZ 3.83Å; W437-F481 AromaticContact CE2-CZ 3.94Å; W437-F481 HydrophobicContact CE3-CE2 4.09Å; W437-F481 AromaticContact CE3-CZ 3.91Å; W437-F481 HydrophobicContact CE3-CZ 3.91Å; W437-F481 HydrophobicContact CG-CZ 4.4Å; W437-F481 HydrophobicContact CH2-CZ 4.22Å; W437-F481 HydrophobicContact CZ2-CZ 4.14Å; W437-F481 HydrophobicContact CZ3-CE2 4.42Å; W437-F481 HydrophobicContact CZ3-CZ 4.1Å; M475-F481 HydrophobicContact CE-CE1 3.88Å; M475-F481 HydrophobicContact CE-CZ 4.44Å
482	N	96.2	Very high	97.2	Very high	50 Å²	50	32.2 Å²	32.2	27%	0.267	21%	0.205	S	C	.	.	S	Bend	trans	-96.7	147.7	166.5	-51.1	113.9	0	0	0	110.3	T435 N480 G484 L486	T435-N482 WeakPolarHBondContact CB-OD1 3.2Å; T435-N482 PolarHBondContact N-OD1 3.4Å; T435-N482 PolarHBondContact OG1-OD1 3.49Å; N480-N482 WeakPolarHBondContact CB-O 3.39Å; N480-N482 PolarHBondContact ND2-O 2.88Å; N480-N482 PolarHBondContact O-N 3.48Å; N480-N482 PolarHBondContact OD1-N 2.86Å; N482-G484 PolarHBondContact O-N 2.8Å; N482-G484 VanDerWaalsContact O-N 3.17Å; N482-L486 WeakPolarHBondContact OD1-CD2 3.48Å
483	S	96.6	Very high	97.1	Very high	60 Å²	60	34 Å²	34	42%	0.42	22%	0.216	S	C	.	.	S	Bend	trans	-74.2	105.5	167.9	-46	0	0	0	0	109.4	S485 Y510	S483-S485 PolarHBondContact O-N 3.05Å; S483-Y510 CarbonylContact C-O 3.52Å; S483-Y510 WeakPolarHBondContact CA-O 3.39Å; S483-Y510 WeakPolarHBondContact CB-O 3.5Å
484	G	98.3	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	90.8	-83.5	178	0	0	0	0	0	114.8	N480 N482 C489 Y510 T513 I514 C515	N480-G484 PolarHBondContact ND2-O 2.85Å; N480-G484 VanDerWaalsContact ND2-O 3.07Å; N482-G484 PolarHBondContact O-N 2.8Å; N482-G484 VanDerWaalsContact O-N 3.17Å; G484-C489 WeakPolarHBondContact CA-SG 3.4Å; G484-Y510 PolarHBondContact N-O 3.34Å; G484-Y510 VanDerWaalsContact N-O 3.08Å; G484-T513 VanDerWaalsContact CA-O 3.31Å; G484-T513 WeakPolarHBondContact CA-O 3.17Å; G484-T513 PolarHBondContact N-O 3.27Å; G484-I514 VanDerWaalsContact O-CA 3.23Å; G484-I514 WeakPolarHBondContact O-CA 3.5Å; G484-C515 PolarHBondContact O-N 3.33Å
485	S	98.1	Very high	96.9	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.042	25%	0.247	C	C	.	.	S	Bend	trans	-148.9	176.5	178.8	87.6	0	0	0	0	110.1	R427 L433 S483 S487 G488	R427-S485 PolarHBondContact NH2-OG 2.89Å; L433-S485 CarbonylContact O-C 3.46Å; L433-S485 WeakPolarHBondContact O-CA 3.44Å; L433-S485 VanDerWaalsContact O-CB 3.24Å; L433-S485 WeakPolarHBondContact O-CB 3.46Å; S483-S485 PolarHBondContact O-N 3.05Å; S485-S487 PolarHBondContact O-N 3.44Å; S485-S487 PolarHBondContact OG-N 3Å; S485-S487 VanDerWaalsContact OG-N 3.14Å; S485-S487 PolarHBondContact OG-OG 3.24Å; S485-G488 PolarHBondContact O-N 3.02Å; S485-G488 PolarHBondContact OG-N 3.01Å; S485-G488 PolarHBondContact OG-O 3.06Å
486	L	97.2	Very high	96.8	Very high	81 Å²	81	39.2 Å²	39.2	42%	0.424	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-23.7	172.6	-69.9	-172.2	0	0	0	113.6	L433 T435 E440 N482	L433-L486 HydrophobicContact CB-CB 4.44Å; L433-L486 HydrophobicContact CB-CD1 3.86Å; L433-L486 HydrophobicContact CB-CG 3.97Å; L433-L486 HydrophobicContact CD1-CD1 4.32Å; L433-L486 PolarHBondContact O-N 2.88Å; T435-L486 WeakPolarHBondContact OG1-CD2 3.49Å; E440-L486 HydrophobicContact CG-CD1 3.87Å; E440-L486 WeakPolarHBondContact OE2-CD1 3.29Å; N482-L486 WeakPolarHBondContact OD1-CD2 3.48Å
487	S	94.7	Very high	96.7	Very high	85 Å²	85	42.5 Å²	42.5	59%	0.594	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	17.9	178.5	59.9	0	0	0	0	113	R427 S485	R427-S487 PolarHBondContact NH1-O 3.32Å; R427-S487 PolarHBondContact NH1-OG 2.94Å; R427-S487 PolarHBondContact NH2-OG 2.93Å; S485-S487 PolarHBondContact O-N 3.44Å; S485-S487 PolarHBondContact OG-N 3Å; S485-S487 VanDerWaalsContact OG-N 3.14Å; S485-S487 PolarHBondContact OG-OG 3.24Å
488	G	96.4	Very high	96.6	Very high	26 Å²	26	43 Å²	43	27%	0.268	27%	0.267	S	S	.	.			trans	65.1	-170	-175.6	0	0	0	0	0	113.4	R427 S485	R427-G488 PolarHBondContact NH1-O 3.34Å; R427-G488 PolarHBondContact NH2-O 2.9Å; S485-G488 PolarHBondContact O-N 3.02Å; S485-G488 PolarHBondContact OG-N 3.01Å; S485-G488 PolarHBondContact OG-O 3.06Å
489	C	97.5	Very high	96.3	Very high	19 Å²	19	46.4 Å²	46.4	13%	0.128	29%	0.289	C	S	.	.			trans	-105.8	153.4	176.8	-54.2	0	0	0	0	112.1	G484 S491 D496 Y510 C515	G484-C489 WeakPolarHBondContact CA-SG 3.4Å; C489-S491 PolarHBondContact O-N 2.91Å; C489-D496 HydrophobicContact CB-CB 4.03Å; C489-Y510 HydrophobicContact CB-CD1 4.19Å; C489-Y510 HydrophobicContact CB-CE1 4.25Å; C489-Y510 HydrophobicContact CB-CG 4.42Å; C489-Y510 VanDerWaalsContact SG-CG 3.57Å; C489-C515 WeakPolarHBondContact CA-SG 3.33Å; C489-C515 HydrophobicContact CB-CB 3.94Å; C489-C515 WeakPolarHBondContact CB-SG 3.47Å; C489-C515 WeakPolarHBondContact SG-CA 3.37Å; C489-C515 WeakPolarHBondContact SG-CB 3.32Å; C489-C515 CovalentContact SG-SG 2.04Å; C489-C515 PolarHBondContact SG-SG 3.49Å
490	P	93	Very high	96.1	Very high	25 Å²	25	46.4 Å²	46.4	16%	0.162	29%	0.289	C	S	.	.			trans	-64.6	118.3	177.3	18.6	-24.3	0	0	0	112.5	R427 S492 N493 D496 N497	R427-P490 HydrophobicContact CG-CB 4.34Å; R427-P490 HydrophobicContact CG-CG 3.91Å; P490-S492 VanDerWaalsContact C-N 3.28Å; P490-S492 PolarHBondContact O-N 3.09Å; P490-N493 HydrophobicContact CB-CB 4.16Å; P490-N493 HydrophobicContact CG-CB 3.9Å; P490-N493 WeakPolarHBondContact O-CB 3.41Å; P490-N493 PolarHBondContact O-N 2.75Å; P490-N493 VanDerWaalsContact O-N 3.12Å; P490-D496 WeakPolarHBondContact CD-OD2 3.2Å; P490-D496 WeakPolarHBondContact CG-OD2 3.42Å; P490-N497 PolarHBondContact O-ND2 3.38Å
491	S	91.8	Very high	96.1	Very high	107 Å²	107	48.5 Å²	48.5	75%	0.748	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.7	-175.1	56.5	0	0	0	0	114.9	C489 N497	C489-S491 PolarHBondContact O-N 2.91Å; S491-N497 PolarHBondContact O-ND2 2.71Å
492	S	94.3	Very high	96	Very high	111 Å²	111	44.6 Å²	44.6	78%	0.776	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-8.5	177.6	58.2	0	0	0	0	113.7	P490 T494	P490-S492 VanDerWaalsContact C-N 3.28Å; P490-S492 PolarHBondContact O-N 3.09Å; S492-T494 PolarHBondContact O-N 2.9Å
493	N	95.7	Very high	95.9	Very high	42 Å²	42	47.2 Å²	47.2	23%	0.225	29%	0.294	C	S	.	.			trans	-78.4	123.8	-179	-168.8	-47.9	0	0	0	110	P490 L495 D496 N497 S517	P490-N493 HydrophobicContact CB-CB 4.16Å; P490-N493 HydrophobicContact CG-CB 3.9Å; P490-N493 WeakPolarHBondContact O-CB 3.41Å; P490-N493 PolarHBondContact O-N 2.75Å; P490-N493 VanDerWaalsContact O-N 3.12Å; N493-L495 VanDerWaalsContact C-N 3.27Å; N493-L495 PolarHBondContact O-N 2.91Å; N493-L495 WeakPolarHBondContact OD1-CB 3.17Å; N493-L495 PolarHBondContact OD1-N 3.33Å; N493-D496 HydrophobicContact CB-CB 4.3Å; N493-D496 VanDerWaalsContact CB-OD2 3.31Å; N493-D496 WeakPolarHBondContact CB-OD2 3.23Å; N493-D496 PolarHBondContact O-N 2.91Å; N493-N497 PolarHBondContact O-N 3.33Å; N493-S517 VanDerWaalsContact ND2-CB 3.28Å; N493-S517 WeakPolarHBondContact ND2-CB 3.11Å
494	T	96.2	Very high	95.8	Very high	84 Å²	84	44.7 Å²	44.7	52%	0.515	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-12.6	-177.1	50.8	0	0	0	0	113.7	Q197 S492 N497 P498	Q197-T494 PolarHBondContact NE2-O 2.77Å; S492-T494 PolarHBondContact O-N 2.9Å; T494-N497 CarbonylContact O-C 3.56Å; T494-P498 WeakPolarHBondContact O-CA 2.88Å
495	L	97.7	Very high	95.7	Very high	40 Å²	40	46.4 Å²	46.4	21%	0.209	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-41	169.7	-58.8	-178.9	0	0	0	111.1	N493 P516 T524 Y526	N493-L495 VanDerWaalsContact C-N 3.27Å; N493-L495 PolarHBondContact O-N 2.91Å; N493-L495 WeakPolarHBondContact OD1-CB 3.17Å; N493-L495 PolarHBondContact OD1-N 3.33Å; L495-P516 WeakPolarHBondContact O-CB 3.22Å; L495-T524 HydrophobicContact CD1-CG2 3.8Å; L495-Y526 HydrophobicContact CB-CD2 3.93Å; L495-Y526 HydrophobicContact CB-CE2 4.43Å; L495-Y526 HydrophobicContact CB-CG 4.3Å; L495-Y526 HydrophobicContact CD2-CD1 4.09Å; L495-Y526 HydrophobicContact CD2-CD2 4.14Å; L495-Y526 HydrophobicContact CD2-CE1 4.24Å; L495-Y526 HydrophobicContact CD2-CE2 4.29Å; L495-Y526 HydrophobicContact CD2-CG 4.01Å; L495-Y526 WeakPolarHBondContact O-CD2 3.47Å; L495-Y526 VanDerWaalsContact O-CE2 3.29Å; L495-Y526 WeakPolarHBondContact O-CE2 3.47Å
496	D	98	Very high	95.4	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.011	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-33.9	177.4	-60.6	-47.8	0	0	0	111.5	C489 P490 N493 Y510 P516 S517	C489-D496 HydrophobicContact CB-CB 4.03Å; P490-D496 WeakPolarHBondContact CD-OD2 3.2Å; P490-D496 WeakPolarHBondContact CG-OD2 3.42Å; N493-D496 HydrophobicContact CB-CB 4.3Å; N493-D496 VanDerWaalsContact CB-OD2 3.31Å; N493-D496 WeakPolarHBondContact CB-OD2 3.23Å; N493-D496 PolarHBondContact O-N 2.91Å; D496-Y510 HydrophobicContact CB-CD1 4.44Å; D496-Y510 HydrophobicContact CB-CE1 4.44Å; D496-P516 WeakPolarHBondContact OD1-CD 3.4Å; D496-P516 VanDerWaalsContact OD1-N 3.12Å; D496-S517 VanDerWaalsContact CG-OG 3.28Å; D496-S517 WeakPolarHBondContact OD1-CB 3.39Å; D496-S517 PolarHBondContact OD1-N 3.33Å; D496-S517 PolarHBondContact OD1-OG 3.38Å; D496-S517 WeakPolarHBondContact OD2-CB 3.34Å; D496-S517 PolarHBondContact OD2-OG 2.72Å
497	N	96.6	Very high	95.3	Very high	70 Å²	70	48.7 Å²	48.7	37%	0.374	31%	0.309	S	S	.	.	S	Bend	trans	-128	72.6	179.8	-59	-84.9	0	0	0	110.2	P490 S491 N493 T494	P490-N497 PolarHBondContact O-ND2 3.38Å; S491-N497 PolarHBondContact O-ND2 2.71Å; N493-N497 PolarHBondContact O-N 3.33Å; T494-N497 CarbonylContact O-C 3.56Å
498	P	95.8	Very high	95.4	Very high	12 Å²	12	45.8 Å²	45.8	8%	0.078	29%	0.288	C	S	.	.			trans	-68.6	159.2	-178.3	32.5	-38.9	0	0	0	112.1	T494 Y500 V501 L509 Y526	T494-P498 WeakPolarHBondContact O-CA 2.88Å; P498-Y500 WeakPolarHBondContact CG-O 3.4Å; P498-Y500 PolarHBondContact O-N 3.08Å; P498-Y500 VanDerWaalsContact O-N 3.15Å; P498-V501 HydrophobicContact CG-CG2 3.99Å; P498-L509 HydrophobicContact CG-CD1 3.76Å; P498-L509 HydrophobicContact CG-CG 4.37Å; P498-Y526 HydrophobicContact CB-CE2 4.36Å
499	P	93	Very high	95.4	Very high	70 Å²	70	44.6 Å²	44.6	46%	0.455	28%	0.276	S	S	.	.	S	Bend	trans	-63.4	-20.3	178.8	26.4	-35.6	0	0	0	113.9	Q197	Q197-P499 HydrophobicContact CB-CG 4.2Å
500	Y	95	Very high	95.5	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	28%	0.279	C	S	.	.			trans	-133.9	128.6	174.4	172.8	-107.4	0	0	0	109	P44 E45 F198 E273 R285 I287 P498 P502	P44-Y500 HydrophobicContact CB-CE2 3.96Å; P44-Y500 HydrophobicContact CG-CD2 4.34Å; P44-Y500 HydrophobicContact CG-CE2 3.77Å; E45-Y500 HydrophobicContact CG-CD2 3.99Å; F198-Y500 AromaticContact CD2-CD1 3.55Å; F198-Y500 HydrophobicContact CD2-CD1 3.55Å; F198-Y500 HydrophobicContact CD2-CD2 4.4Å; F198-Y500 HydrophobicContact CD2-CE1 4.2Å; F198-Y500 AromaticContact CD2-CG 3.66Å; F198-Y500 HydrophobicContact CD2-CG 3.66Å; F198-Y500 AromaticContact CE2-CD1 3.63Å; F198-Y500 HydrophobicContact CE2-CD1 3.63Å; F198-Y500 HydrophobicContact CE2-CD2 4.05Å; F198-Y500 AromaticContact CE2-CE1 3.87Å; F198-Y500 HydrophobicContact CE2-CE1 3.87Å; F198-Y500 HydrophobicContact CE2-CE2 4.3Å; F198-Y500 AromaticContact CE2-CG 3.73Å; F198-Y500 HydrophobicContact CE2-CG 3.73Å; E273-Y500 PolarHBondContact OE2-OH 3.01Å; E273-Y500 VanDerWaalsContact OE2-OH 3.08Å; R285-Y500 HydrophobicContact CB-CE1 4.15Å; I287-Y500 HydrophobicContact CG2-CD1 3.9Å; I287-Y500 WeakPolarHBondContact CG2-O 3.32Å; P498-Y500 WeakPolarHBondContact CG-O 3.4Å; P498-Y500 PolarHBondContact O-N 3.08Å; P498-Y500 VanDerWaalsContact O-N 3.15Å; Y500-P502 HydrophobicContact CD1-CG 4.47Å; Y500-P502 HydrophobicContact CE1-CB 4.44Å; Y500-P502 HydrophobicContact CE1-CG 4.01Å
501	V	96.8	Very high	95.7	Very high	44 Å²	44	46.9 Å²	46.9	27%	0.267	28%	0.282	S	S	.	.			trans	-110.5	121.4	170.1	-177.4	0	0	0	0	107	P498 I504 L509	P498-V501 HydrophobicContact CG-CG2 3.99Å; V501-I504 HydrophobicContact CG1-CD1 4.2Å; V501-I504 HydrophobicContact CG1-CG1 4.1Å; V501-L509 HydrophobicContact CG1-CD2 4.43Å
502	P	96.6	Very high	96	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	26%	0.259	C	S	.	.			trans	-53.6	163.2	172.6	-28.2	37	0	0	0	112.4	A271 Q272 E273 I287 Y500 I504	A271-P502 HydrophobicContact CB-CG 4.09Å; Q272-P502 WeakPolarHBondContact O-CB 3.48Å; E273-P502 HydrophobicContact CB-CB 4.15Å; I287-P502 HydrophobicContact CG2-CG 4.02Å; Y500-P502 HydrophobicContact CD1-CG 4.47Å; Y500-P502 HydrophobicContact CE1-CB 4.44Å; Y500-P502 HydrophobicContact CE1-CG 4.01Å; P502-I504 HydrophobicContact CB-CG2 4.19Å; P502-I504 PolarHBondContact O-N 2.62Å
503	K	93.9	Very high	96.2	Very high	105 Å²	105	39.5 Å²	39.5	46%	0.457	22%	0.223	S	C	.	.	S	Bend	trans	-72.3	68.2	177	-166.5	-171.7	177.1	-170.9	0	112.4	R229 G231 E273	R229-K503 HydrophobicContact CB-CD 4.08Å; G231-K503 WeakPolarHBondContact CA-O 3.36Å; G231-K503 PolarHBondContact N-O 3.19Å; E273-K503 WeakPolarHBondContact OE2-CB 3.02Å; E273-K503 PolarHBondContact OE2-N 2.8Å
504	I	96.2	Very high	96.3	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.036	21%	0.212	C	C	.	.			trans	-101	159.3	177.4	59.4	167.6	0	0	0	111.1	W233 N244 V501 P502 N507 L509	W233-I504 HydrophobicContact CB-CB 4.47Å; W233-I504 HydrophobicContact CB-CD1 4.22Å; W233-I504 HydrophobicContact CB-CG2 3.72Å; W233-I504 HydrophobicContact CG-CD1 4.2Å; N244-I504 HydrophobicContact CB-CG2 4.45Å; N244-I504 WeakPolarHBondContact OD1-CA 3.36Å; N244-I504 WeakPolarHBondContact OD1-CB 3.49Å; V501-I504 HydrophobicContact CG1-CD1 4.2Å; V501-I504 HydrophobicContact CG1-CG1 4.1Å; P502-I504 HydrophobicContact CB-CG2 4.19Å; P502-I504 PolarHBondContact O-N 2.62Å; I504-N507 PolarHBondContact O-N 2.93Å; I504-N507 PolarHBondContact O-OD1 2.87Å; I504-L509 HydrophobicContact CD1-CD2 3.82Å
505	L	94.5	Very high	96.4	Very high	37 Å²	37	33.6 Å²	33.6	19%	0.194	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-55.7	146.3	170.3	-74.7	175.9	0	0	0	111.3	S243 N244 N507	S243-L505 WeakPolarHBondContact OG-CD2 3.36Å; N244-L505 PolarHBondContact OD1-N 3.26Å; L505-N507 PolarHBondContact O-N 3.34Å
506	G	93.2	Very high	96.5	Very high	52 Å²	52	31.7 Å²	31.7	54%	0.536	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	71.9	-11.2	-178.7	0	0	0	0	0	115.7	S508	G506-S508 PolarHBondContact O-N 2.82Å; G506-S508 VanDerWaalsContact O-N 3.1Å
507	N	94	Very high	96.5	Very high	82 Å²	82	31.7 Å²	31.7	44%	0.439	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	51.7	26.8	-175.3	-61.8	-26.7	0	0	0	114.1	Q46 I504 L505	Q46-N507 PolarHBondContact NE2-ND2 3.08Å; Q46-N507 VanDerWaalsContact NE2-ND2 3.13Å; Q46-N507 PolarHBondContact NE2-OD1 2.9Å; Q46-N507 PolarHBondContact OE1-ND2 3.16Å; I504-N507 PolarHBondContact O-N 2.93Å; I504-N507 PolarHBondContact O-OD1 2.87Å; L505-N507 PolarHBondContact O-N 3.34Å
508	S	96.2	Very high	96.6	Very high	24 Å²	24	28.4 Å²	28.4	17%	0.168	16%	0.161	C	C	.	.	S	Bend	trans	-144.3	137	-179.2	174.9	0	0	0	0	109.5	G506 Y510 D511	G506-S508 PolarHBondContact O-N 2.82Å; G506-S508 VanDerWaalsContact O-N 3.1Å; S508-Y510 PolarHBondContact O-N 2.8Å; S508-Y510 WeakPolarHBondContact OG-CD1 3.24Å; S508-Y510 WeakPolarHBondContact OG-CE1 3.25Å; S508-Y510 PolarHBondContact OG-N 2.85Å; S508-D511 PolarHBondContact O-N 2.89Å
509	L	98.2	Very high	96.7	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-20.1	179.7	-65.5	-172.9	0	0	0	113.5	W233 A271 I287 P498 V501 I504 T513 P516 Y526	W233-L509 HydrophobicContact CD2-CD2 4.45Å; W233-L509 HydrophobicContact CZ2-CB 4.35Å; W233-L509 PolarHBondContact NE1-O 2.92Å; A271-L509 HydrophobicContact CB-CD2 3.59Å; I287-L509 HydrophobicContact CD1-CD1 3.57Å; I287-L509 HydrophobicContact CD1-CD2 4.19Å; P498-L509 HydrophobicContact CG-CD1 3.76Å; P498-L509 HydrophobicContact CG-CG 4.37Å; V501-L509 HydrophobicContact CG1-CD2 4.43Å; I504-L509 HydrophobicContact CD1-CD2 3.82Å; L509-T513 VanDerWaalsContact O-CG2 3.23Å; L509-T513 WeakPolarHBondContact O-CG2 2.94Å; L509-P516 HydrophobicContact CB-CG 3.47Å; L509-P516 VanDerWaalsContact CB-CG 3.47Å; L509-P516 HydrophobicContact CD1-CB 4.49Å; L509-P516 HydrophobicContact CD1-CG 4.1Å; L509-P516 HydrophobicContact CG-CG 4.47Å; L509-Y526 HydrophobicContact CD1-CD2 3.94Å; L509-Y526 HydrophobicContact CD1-CE2 3.7Å
510	Y	98	Very high	97	Very high	51 Å²	51	28.5 Å²	28.5	20%	0.2	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	12.8	178.4	54.4	-94.8	0	0	0	112.6	S483 G484 C489 D496 S508 K512	S483-Y510 CarbonylContact C-O 3.52Å; S483-Y510 WeakPolarHBondContact CA-O 3.39Å; S483-Y510 WeakPolarHBondContact CB-O 3.5Å; G484-Y510 PolarHBondContact N-O 3.34Å; G484-Y510 VanDerWaalsContact N-O 3.08Å; C489-Y510 HydrophobicContact CB-CD1 4.19Å; C489-Y510 HydrophobicContact CB-CE1 4.25Å; C489-Y510 HydrophobicContact CB-CG 4.42Å; C489-Y510 VanDerWaalsContact SG-CG 3.57Å; D496-Y510 HydrophobicContact CB-CD1 4.44Å; D496-Y510 HydrophobicContact CB-CE1 4.44Å; S508-Y510 PolarHBondContact O-N 2.8Å; S508-Y510 WeakPolarHBondContact OG-CD1 3.24Å; S508-Y510 WeakPolarHBondContact OG-CE1 3.25Å; S508-Y510 PolarHBondContact OG-N 2.85Å; Y510-K512 PolarHBondContact O-N 3.14Å
511	D	97.6	Very high	97.1	Very high	42 Å²	42	34.6 Å²	34.6	23%	0.225	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	129.3	168.9	-173.1	48.9	0	0	0	110	H235 S508 T513	H235-D511 IonicContact CE1-OD2 2.73Å; H235-D511 PolarHBondContact CE1-OD2 3.23Å; S508-D511 PolarHBondContact O-N 2.89Å; D511-T513 PolarHBondContact O-N 3.28Å
512	K	98	Very high	96.9	Very high	60 Å²	60	38.2 Å²	38.2	26%	0.261	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	19.1	-178.2	-69.4	-86.1	-72.6	170.1	0	115.8	D236 A479 N480 Y510	D236-K512 WeakPolarHBondContact O-CE 3.32Å; D236-K512 WeakPolarHBondContact OD2-CE 3.31Å; D236-K512 IonicContact OD2-NZ 3.36Å; D236-K512 PolarHBondContact OD2-NZ 3.04Å; A479-K512 WeakPolarHBondContact CA-O 3.14Å; N480-K512 PolarHBondContact N-O 2.99Å; N480-K512 CarbonylContact O-C 3.43Å; N480-K512 VanDerWaalsContact O-CA 3.3Å; N480-K512 WeakPolarHBondContact O-CA 3.49Å; Y510-K512 PolarHBondContact O-N 3.14Å
513	T	98.8	Very high	96.9	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.012	21%	0.205	C	C	.	.	S	Bend	trans	-148.4	-175	178.3	-166.2	0	0	0	0	111.4	P478 G484 L509 D511 H529	P478-T513 WeakPolarHBondContact O-CA 3.06Å; P478-T513 WeakPolarHBondContact O-CB 3.4Å; P478-T513 PolarHBondContact O-OG1 2.94Å; G484-T513 VanDerWaalsContact CA-O 3.31Å; G484-T513 WeakPolarHBondContact CA-O 3.17Å; G484-T513 PolarHBondContact N-O 3.27Å; L509-T513 VanDerWaalsContact O-CG2 3.23Å; L509-T513 WeakPolarHBondContact O-CG2 2.94Å; D511-T513 PolarHBondContact O-N 3.28Å; T513-H529 PolarHBondContact OG1-CE1 3.33Å; T513-H529 PolarHBondContact OG1-ND1 2.56Å
514	I	98.7	Very high	97.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-84	166.8	179.8	65.6	174.9	0	0	0	113	I423 I432 F443 P478 N480 G484 P516 A518 H525	I423-I514 HydrophobicContact CB-CD1 4.45Å; I423-I514 HydrophobicContact CD1-CD1 3.66Å; I423-I514 HydrophobicContact CG2-CD1 4.01Å; I432-I514 HydrophobicContact CD1-CB 4.29Å; I432-I514 HydrophobicContact CG2-CD1 4.39Å; F443-I514 HydrophobicContact CD1-CG2 4.28Å; F443-I514 HydrophobicContact CD2-CG2 3.67Å; F443-I514 HydrophobicContact CE1-CG2 4.1Å; F443-I514 HydrophobicContact CE2-CG2 3.48Å; F443-I514 VanDerWaalsContact CE2-CG2 3.48Å; F443-I514 HydrophobicContact CG-CG2 4.07Å; F443-I514 HydrophobicContact CZ-CG2 3.71Å; P478-I514 HydrophobicContact CG-CD1 4.4Å; P478-I514 HydrophobicContact CG-CG1 4.33Å; N480-I514 HydrophobicContact CB-CG2 4.43Å; G484-I514 VanDerWaalsContact O-CA 3.23Å; G484-I514 WeakPolarHBondContact O-CA 3.5Å; I514-P516 WeakPolarHBondContact O-CD 3.36Å; I514-A518 HydrophobicContact CD1-CB 4.44Å; I514-H525 VanDerWaalsContact CG1-CD2 3.43Å; I514-H525 WeakPolarHBondContact CG1-CD2 3.47Å; I514-H525 WeakPolarHBondContact CG1-NE2 3.45Å
515	C	98.7	Very high	97.2	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.014	19%	0.188	C	C	.	.			trans	-60.3	128.5	-179	-63.5	0	0	0	0	112.3	I432 G484 C489 S517 A518	I432-C515 HydrophobicContact CD1-CB 4.04Å; G484-C515 PolarHBondContact O-N 3.33Å; C489-C515 WeakPolarHBondContact CA-SG 3.33Å; C489-C515 HydrophobicContact CB-CB 3.94Å; C489-C515 WeakPolarHBondContact CB-SG 3.47Å; C489-C515 WeakPolarHBondContact SG-CA 3.37Å; C489-C515 WeakPolarHBondContact SG-CB 3.32Å; C489-C515 CovalentContact SG-SG 2.04Å; C489-C515 PolarHBondContact SG-SG 3.49Å; C515-S517 PolarHBondContact O-N 3.46Å; C515-S517 VanDerWaalsContact O-N 3.15Å; C515-A518 WeakPolarHBondContact O-CB 3.26Å; C515-A518 PolarHBondContact O-N 2.61Å
516	P	98.7	Very high	97.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-31.6	174.5	-27	28.2	0	0	0	114.2	L495 D496 L509 I514 A518 H525 Y526	L495-P516 WeakPolarHBondContact O-CB 3.22Å; D496-P516 WeakPolarHBondContact OD1-CD 3.4Å; D496-P516 VanDerWaalsContact OD1-N 3.12Å; L509-P516 HydrophobicContact CB-CG 3.47Å; L509-P516 VanDerWaalsContact CB-CG 3.47Å; L509-P516 HydrophobicContact CD1-CB 4.49Å; L509-P516 HydrophobicContact CD1-CG 4.1Å; L509-P516 HydrophobicContact CG-CG 4.47Å; I514-P516 WeakPolarHBondContact O-CD 3.36Å; P516-A518 PolarHBondContact O-N 3.27Å; P516-H525 CarbonylContact O-C 3.33Å; P516-H525 PolarHBondContact O-N 3.49Å; P516-Y526 HydrophobicContact CB-CD2 3.82Å; P516-Y526 HydrophobicContact CB-CG 4.43Å; P516-Y526 WeakPolarHBondContact O-CB 3.3Å; P516-Y526 PolarHBondContact O-N 3.32Å
517	S	98.5	Very high	97.7	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.021	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-9.7	176.2	68.1	0	0	0	0	114.2	S426 N493 D496 C515	S426-S517 WeakPolarHBondContact CB-O 3.46Å; S426-S517 PolarHBondContact OG-OG 3.28Å; N493-S517 VanDerWaalsContact ND2-CB 3.28Å; N493-S517 WeakPolarHBondContact ND2-CB 3.11Å; D496-S517 VanDerWaalsContact CG-OG 3.28Å; D496-S517 WeakPolarHBondContact OD1-CB 3.39Å; D496-S517 PolarHBondContact OD1-N 3.33Å; D496-S517 PolarHBondContact OD1-OG 3.38Å; D496-S517 WeakPolarHBondContact OD2-CB 3.34Å; D496-S517 PolarHBondContact OD2-OG 2.72Å; C515-S517 PolarHBondContact O-N 3.46Å; C515-S517 VanDerWaalsContact O-N 3.15Å
518	A	98.6	Very high	97.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.			trans	-57.1	145.3	179.5	0	0	0	0	0	111.6	I423 N424 I432 I514 C515 P516 T524 H525	I423-A518 HydrophobicContact CG2-CB 3.68Å; N424-A518 CarbonylContact O-C 3.59Å; N424-A518 WeakPolarHBondContact O-CA 3.43Å; I432-A518 HydrophobicContact CD1-CB 3.87Å; I514-A518 HydrophobicContact CD1-CB 4.44Å; C515-A518 WeakPolarHBondContact O-CB 3.26Å; C515-A518 PolarHBondContact O-N 2.61Å; P516-A518 PolarHBondContact O-N 3.27Å; A518-T524 CarbonylContact O-C 3.39Å; A518-T524 VanDerWaalsContact O-CA 3.28Å; A518-T524 WeakPolarHBondContact O-CA 3.45Å; A518-H525 HydrophobicContact CB-CB 4.18Å; A518-H525 PolarHBondContact O-N 3.14Å
519	L	98.5	Very high	98	Very high	71 Å²	71	27.6 Å²	27.6	37%	0.372	13%	0.133	S	C	.	.	B	Isolated β-bridge	trans	-99.7	114.6	-166.7	-55.6	177.1	0	0	0	110.2	I423 N424 T524	I423-L519 WeakPolarHBondContact CG2-O 3.31Å; N424-L519 HydrophobicContact CB-CB 4.32Å; N424-L519 PolarHBondContact N-O 2.81Å; N424-L519 PolarHBondContact O-N 2.91Å; L519-T524 HydrophobicContact CD2-CG2 4.14Å
520	H	98.3	Very high	98	Very high	14 Å²	14	27.5 Å²	27.5	7%	0.065	13%	0.133	C	C	.	.			trans	-83.4	174.4	160.8	-67.9	-110.6	0	0	0	109.3	I423 D445 N522 T523 H525 M528	I423-H520 WeakPolarHBondContact CD1-CE1 3.41Å; D445-H520 IonicContact OD1-CE1 2.62Å; D445-H520 IonicContact OD1-CG 3.95Å; D445-H520 IonicContact OD1-ND1 3.63Å; D445-H520 PolarHBondContact OD1-ND1 3.46Å; D445-H520 WeakPolarHBondContact OD2-CA 3.12Å; D445-H520 WeakPolarHBondContact OD2-CB 3.45Å; D445-H520 IonicContact OD2-ND1 2.75Å; H520-N522 VanDerWaalsContact C-N 3.33Å; H520-N522 PolarHBondContact O-N 3.45Å; H520-T523 CarbonylContact C-O 3.48Å; H520-T523 WeakPolarHBondContact CA-O 3.15Å; H520-T523 WeakPolarHBondContact CB-O 3.49Å; H520-T523 PolarHBondContact N-O 3.02Å; H520-H525 PolarHBondContact CD2-N 3Å; H520-H525 AromaticContact CE1-ND1 3.76Å; H520-H525 AromaticContact NE2-CG 3.66Å; H520-H525 AromaticContact NE2-ND1 2.91Å; H520-H525 PolarHBondContact NE2-ND1 2.89Å; H520-M528 HydrophobicContact CB-CG 4.29Å
521	Y	96.3	Very high	98	Very high	128 Å²	128	25.4 Å²	25.4	50%	0.502	13%	0.125	S	C	.	.	S	Bend	trans	-54.9	-44.4	-179.5	-177.1	-109.7	0	0	0	113	D445 H448 P449	D445-Y521 WeakPolarHBondContact OD2-CB 3.48Å; D445-Y521 PolarHBondContact OD2-N 3.28Å; H448-Y521 AromaticContact CD2-CD2 3.31Å; H448-Y521 WeakPolarHBondContact CD2-CD2 3.5Å; H448-Y521 AromaticContact CD2-CG 3.8Å; H448-Y521 AromaticContact NE2-CD2 3.6Å; H448-Y521 AromaticContact NE2-CE2 3.87Å; P449-Y521 HydrophobicContact CG-CE1 4.06Å
522	N	92.9	Very high	98.1	Very high	121 Å²	121	23.6 Å²	23.6	65%	0.647	12%	0.115	S	C	*	.	S	Bend	trans	-110.9	-11.3	-174.1	-74	-32.9	0	0	0	115.1	H520	H520-N522 VanDerWaalsContact C-N 3.33Å; H520-N522 PolarHBondContact O-N 3.45Å
523	T	97	Very high	98.1	Very high	24 Å²	24	20.8 Å²	20.8	15%	0.147	10%	0.103	C	C	.	.	S	Bend	trans	-166.2	-172.9	-169.8	-170.1	0	0	0	0	110.8	W139 H520 N527 M528	W139-T523 HydrophobicContact CE3-CG2 3.97Å; W139-T523 HydrophobicContact CH2-CG2 3.73Å; W139-T523 HydrophobicContact CZ2-CG2 4.45Å; W139-T523 HydrophobicContact CZ3-CG2 3.45Å; W139-T523 VanDerWaalsContact CZ3-CG2 3.45Å; H520-T523 CarbonylContact C-O 3.48Å; H520-T523 WeakPolarHBondContact CA-O 3.15Å; H520-T523 WeakPolarHBondContact CB-O 3.49Å; H520-T523 PolarHBondContact N-O 3.02Å; T523-N527 HydrophobicContact CG2-CB 4.28Å; T523-N527 PolarHBondContact OG1-ND2 2.77Å; T523-M528 HydrophobicContact CG2-CG 3.19Å; T523-M528 HydrophobicContact CG2-SD 3.54Å; T523-M528 VanDerWaalsContact CG2-SD 3.54Å
524	T	98.1	Very high	98.1	Very high	24 Å²	24	20.9 Å²	20.9	15%	0.147	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-96.3	157	176.4	58	0	0	0	0	112	L495 A518 L519 Y526 N527 M528	L495-T524 HydrophobicContact CD1-CG2 3.8Å; A518-T524 CarbonylContact O-C 3.39Å; A518-T524 VanDerWaalsContact O-CA 3.28Å; A518-T524 WeakPolarHBondContact O-CA 3.45Å; L519-T524 HydrophobicContact CD2-CG2 4.14Å; T524-Y526 PolarHBondContact O-N 3.03Å; T524-Y526 VanDerWaalsContact O-N 3.14Å; T524-N527 WeakPolarHBondContact O-CB 3.34Å; T524-N527 PolarHBondContact O-N 3.2Å; T524-M528 PolarHBondContact O-N 3.26Å
525	H	98.7	Very high	98.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.3	-30.5	176.3	-166.2	65.6	0	0	0	112.5	I514 P516 A518 H520 N527 M528 H529	I514-H525 VanDerWaalsContact CG1-CD2 3.43Å; I514-H525 WeakPolarHBondContact CG1-CD2 3.47Å; I514-H525 WeakPolarHBondContact CG1-NE2 3.45Å; P516-H525 CarbonylContact O-C 3.33Å; P516-H525 PolarHBondContact O-N 3.49Å; A518-H525 HydrophobicContact CB-CB 4.18Å; A518-H525 PolarHBondContact O-N 3.14Å; H520-H525 PolarHBondContact CD2-N 3Å; H520-H525 AromaticContact CE1-ND1 3.76Å; H520-H525 AromaticContact NE2-CG 3.66Å; H520-H525 AromaticContact NE2-ND1 2.91Å; H520-H525 PolarHBondContact NE2-ND1 2.89Å; H525-N527 PolarHBondContact O-N 3.36Å; H525-M528 PolarHBondContact O-N 2.93Å; H525-H529 AromaticContact CD2-ND1 3.82Å; H525-H529 AromaticContact CE1-ND1 3.76Å; H525-H529 AromaticContact NE2-CG 3.65Å; H525-H529 AromaticContact NE2-ND1 2.97Å; H525-H529 PolarHBondContact NE2-ND1 3.13Å; H525-H529 VanDerWaalsContact O-CB 3.25Å; H525-H529 WeakPolarHBondContact O-CB 3.49Å; H525-H529 PolarHBondContact O-N 3.06Å
526	Y	98.7	Very high	98.1	Very high	6 Å²	6	21.5 Å²	21.5	2%	0.024	11%	0.106	C	C	.	.	H	α-helix	trans	-48	-32.5	171.2	-172.1	-93.7	0	0	0	114.2	Q197 N270 I287 L495 P498 L509 P516 T524	Q197-Y526 PolarHBondContact NE2-OH 3.46Å; N270-Y526 VanDerWaalsContact ND2-CD1 3.32Å; N270-Y526 WeakPolarHBondContact ND2-CD1 3.49Å; N270-Y526 PolarHBondContact ND2-O 2.81Å; I287-Y526 WeakPolarHBondContact CB-OH 3.4Å; I287-Y526 HydrophobicContact CD1-CD2 4.16Å; I287-Y526 HydrophobicContact CD1-CE1 4.03Å; I287-Y526 HydrophobicContact CD1-CE2 3.34Å; I287-Y526 WeakPolarHBondContact CD1-OH 3.39Å; I287-Y526 HydrophobicContact CG1-CE1 3.82Å; I287-Y526 HydrophobicContact CG1-CE2 4.03Å; I287-Y526 VanDerWaalsContact CG1-CZ 3.4Å; I287-Y526 WeakPolarHBondContact CG1-OH 3.49Å; I287-Y526 PolarHBondContact O-OH 2.98Å; L495-Y526 HydrophobicContact CB-CD2 3.93Å; L495-Y526 HydrophobicContact CB-CE2 4.43Å; L495-Y526 HydrophobicContact CB-CG 4.3Å; L495-Y526 HydrophobicContact CD2-CD1 4.09Å; L495-Y526 HydrophobicContact CD2-CD2 4.14Å; L495-Y526 HydrophobicContact CD2-CE1 4.24Å; L495-Y526 HydrophobicContact CD2-CE2 4.29Å; L495-Y526 HydrophobicContact CD2-CG 4.01Å; L495-Y526 WeakPolarHBondContact O-CD2 3.47Å; L495-Y526 VanDerWaalsContact O-CE2 3.29Å; L495-Y526 WeakPolarHBondContact O-CE2 3.47Å; P498-Y526 HydrophobicContact CB-CE2 4.36Å; L509-Y526 HydrophobicContact CD1-CD2 3.94Å; L509-Y526 HydrophobicContact CD1-CE2 3.7Å; P516-Y526 HydrophobicContact CB-CD2 3.82Å; P516-Y526 HydrophobicContact CB-CG 4.43Å; P516-Y526 WeakPolarHBondContact O-CB 3.3Å; P516-Y526 PolarHBondContact O-N 3.32Å; T524-Y526 PolarHBondContact O-N 3.03Å; T524-Y526 VanDerWaalsContact O-N 3.14Å
527	N	98.5	Very high	98.1	Very high	23 Å²	23	21.5 Å²	21.5	12%	0.123	11%	0.106	C	C	.	.	H	α-helix	trans	-96.8	-33.9	178.4	-69.1	-37.9	0	0	0	112.2	W139 S269 N270 T523 T524 H525	W139-N527 HydrophobicContact CB-CB 4.33Å; W139-N527 HydrophobicContact CD2-CB 3.63Å; W139-N527 HydrophobicContact CE3-CB 4.27Å; W139-N527 HydrophobicContact CG-CB 3.61Å; W139-N527 HydrophobicContact CZ2-CB 4.4Å; W139-N527 PolarHBondContact NE1-O 3.34Å; S269-N527 PolarHBondContact OG-O 3.46Å; N270-N527 PolarHBondContact ND2-OD1 2.82Å; T523-N527 HydrophobicContact CG2-CB 4.28Å; T523-N527 PolarHBondContact OG1-ND2 2.77Å; T524-N527 WeakPolarHBondContact O-CB 3.34Å; T524-N527 PolarHBondContact O-N 3.2Å; H525-N527 PolarHBondContact O-N 3.36Å
528	M	97.9	Very high	98.1	Very high	7 Å²	7	24 Å²	24	3%	0.034	12%	0.115	C	C	.	.	H	α-helix	trans	-90.8	-19.1	-172	-67.8	-66.5	-60.6	0	0	115.1	W139 H520 T523 T524 H525 N530 I531 Y532 D535	W139-M528 HydrophobicContact CH2-CG 4.49Å; W139-M528 HydrophobicContact CH2-SD 3.29Å; W139-M528 WeakPolarHBondContact CH2-SD 3.43Å; W139-M528 HydrophobicContact CZ2-SD 3.55Å; W139-M528 VanDerWaalsContact CZ2-SD 3.55Å; W139-M528 HydrophobicContact CZ3-SD 4.29Å; H520-M528 HydrophobicContact CB-CG 4.29Å; T523-M528 HydrophobicContact CG2-CG 3.19Å; T523-M528 HydrophobicContact CG2-SD 3.54Å; T523-M528 VanDerWaalsContact CG2-SD 3.54Å; T524-M528 PolarHBondContact O-N 3.26Å; H525-M528 PolarHBondContact O-N 2.93Å; M528-N530 PolarHBondContact O-N 3.07Å; M528-I531 HydrophobicContact CB-CG1 4.46Å; M528-I531 HydrophobicContact CE-CD1 3.68Å; M528-I531 HydrophobicContact CE-CG1 3.97Å; M528-I531 CarbonylContact O-C 3.53Å; M528-I531 WeakPolarHBondContact O-CA 3.48Å; M528-I531 WeakPolarHBondContact O-CG1 3.39Å; M528-I531 PolarHBondContact O-N 2.9Å; M528-I531 HydrophobicContact SD-CD1 3.67Å; M528-I531 HydrophobicContact SD-CG1 4.2Å; M528-Y532 PolarHBondContact O-N 3.19Å; M528-Y532 VanDerWaalsContact O-N 3.11Å; M528-D535 VanDerWaalsContact CE-OD2 3.28Å; M528-D535 WeakPolarHBondContact CE-OD2 3.3Å
529	H	98.8	Very high	98.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-51	-56.3	-167.8	173.2	87.2	0	0	0	113.4	W233 S234 E477 T513 H525 I531 Y532	W233-H529 AromaticContact CD1-NE2 3.63Å; W233-H529 AromaticContact CD2-CD2 3.19Å; W233-H529 AromaticContact CD2-CG 3.97Å; W233-H529 AromaticContact CD2-NE2 3.48Å; W233-H529 AromaticContact CE2-CD2 3.16Å; W233-H529 AromaticContact CE2-CE1 3.74Å; W233-H529 AromaticContact CE2-CG 3.51Å; W233-H529 AromaticContact CE2-ND1 3.84Å; W233-H529 AromaticContact CE2-NE2 3.31Å; W233-H529 VanDerWaalsContact CE2-NE2 3.31Å; W233-H529 HydrophobicContact CE3-CB 4.3Å; W233-H529 AromaticContact CE3-CD2 3.33Å; W233-H529 AromaticContact CG-CD2 3.92Å; W233-H529 AromaticContact CG-NE2 3.74Å; W233-H529 HydrophobicContact CH2-CB 3.11Å; W233-H529 AromaticContact CH2-CD2 3.55Å; W233-H529 AromaticContact CH2-CG 3.34Å; W233-H529 HydrophobicContact CZ2-CB 3.51Å; W233-H529 AromaticContact CZ2-CD2 3.37Å; W233-H529 WeakPolarHBondContact CZ2-CD2 3.49Å; W233-H529 AromaticContact CZ2-CE1 4Å; W233-H529 AromaticContact CZ2-CG 3.19Å; W233-H529 AromaticContact CZ2-ND1 3.62Å; W233-H529 AromaticContact CZ2-NE2 3.86Å; W233-H529 HydrophobicContact CZ3-CB 3.55Å; W233-H529 AromaticContact CZ3-CD2 3.51Å; W233-H529 AromaticContact CZ3-CG 3.73Å; W233-H529 AromaticContact NE1-CD2 3.76Å; W233-H529 AromaticContact NE1-CE1 3.66Å; W233-H529 AromaticContact NE1-NE2 3.36Å; W233-H529 PolarHBondContact NE1-NE2 2.89Å; S234-H529 PolarHBondContact N-NE2 2.65Å; S234-H529 PolarHBondContact O-CE1 3.03Å; S234-H529 VanDerWaalsContact O-CE1 3.27Å; S234-H529 PolarHBondContact O-NE2 3.46Å; E477-H529 VanDerWaalsContact O-O 3.11Å; T513-H529 PolarHBondContact OG1-CE1 3.33Å; T513-H529 PolarHBondContact OG1-ND1 2.56Å; H525-H529 AromaticContact CD2-ND1 3.82Å; H525-H529 AromaticContact CE1-ND1 3.76Å; H525-H529 AromaticContact NE2-CG 3.65Å; H525-H529 AromaticContact NE2-ND1 2.97Å; H525-H529 PolarHBondContact NE2-ND1 3.13Å; H525-H529 VanDerWaalsContact O-CB 3.25Å; H525-H529 WeakPolarHBondContact O-CB 3.49Å; H525-H529 PolarHBondContact O-N 3.06Å; H529-I531 PolarHBondContact O-N 3.15Å; H529-Y532 WeakPolarHBondContact O-CB 3.28Å; H529-Y532 PolarHBondContact O-N 3.32Å
530	N	98.7	Very high	98.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-65.2	-7.8	179.9	-72.3	-29.7	0	0	0	114.6	W233 S234 T248 S269 N270 M528 F561	W233-N530 WeakPolarHBondContact CA-OD1 3.39Å; S234-N530 PolarHBondContact N-OD1 2.02Å; S234-N530 PolarHBondContact OG-OD1 3.09Å; T248-N530 PolarHBondContact OG1-OD1 3Å; S269-N530 WeakPolarHBondContact O-CB 3.21Å; S269-N530 PolarHBondContact O-ND2 2.76Å; N270-N530 PolarHBondContact O-ND2 3.3Å; M528-N530 PolarHBondContact O-N 3.07Å; N530-F561 HydrophobicContact CB-CD2 4.26Å; N530-F561 HydrophobicContact CB-CE2 4.39Å
531	I	98.2	Very high	98.1	Very high	7 Å²	7	21.9 Å²	21.9	4%	0.036	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-113.4	5.8	176.5	61.8	169.3	0	0	0	113	W139 M528 H529 Y534 D535 F561	W139-I531 HydrophobicContact CZ2-CD1 3.99Å; M528-I531 HydrophobicContact CB-CG1 4.46Å; M528-I531 HydrophobicContact CE-CD1 3.68Å; M528-I531 HydrophobicContact CE-CG1 3.97Å; M528-I531 CarbonylContact O-C 3.53Å; M528-I531 WeakPolarHBondContact O-CA 3.48Å; M528-I531 WeakPolarHBondContact O-CG1 3.39Å; M528-I531 PolarHBondContact O-N 2.9Å; M528-I531 HydrophobicContact SD-CD1 3.67Å; M528-I531 HydrophobicContact SD-CG1 4.2Å; H529-I531 PolarHBondContact O-N 3.15Å; I531-Y534 WeakPolarHBondContact O-CB 2.96Å; I531-Y534 PolarHBondContact O-N 2.93Å; I531-D535 PolarHBondContact O-N 3.33Å; I531-F561 HydrophobicContact CG2-CB 4.12Å; I531-F561 HydrophobicContact CG2-CD1 3.68Å; I531-F561 HydrophobicContact CG2-CD2 4.02Å; I531-F561 HydrophobicContact CG2-CE1 4.07Å; I531-F561 HydrophobicContact CG2-CE2 4.39Å; I531-F561 HydrophobicContact CG2-CG 3.67Å; I531-F561 HydrophobicContact CG2-CZ 4.41Å
532	Y	98.8	Very high	98.2	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.016	9%	0.093	C	C	.	.	H	α-helix	trans	-60.4	-49.4	176.9	-173.7	-83.7	0	0	0	111.6	P400 I423 P444 F446 N476 P478 M528 H529 Y534 D535 M536	P400-Y532 HydrophobicContact CB-CE1 3.8Å; P400-Y532 WeakPolarHBondContact CB-OH 3.31Å; P400-Y532 HydrophobicContact CG-CE1 4.05Å; I423-Y532 HydrophobicContact CD1-CD2 4.28Å; I423-Y532 HydrophobicContact CD1-CE2 3.77Å; P444-Y532 VanDerWaalsContact O-CE2 3.25Å; P444-Y532 WeakPolarHBondContact O-CE2 3.36Å; P444-Y532 PolarHBondContact O-OH 3.35Å; P444-Y532 VanDerWaalsContact O-OH 3.09Å; F446-Y532 HydrophobicContact CD2-CE1 4.14Å; F446-Y532 HydrophobicContact CD2-CE2 4.31Å; F446-Y532 AromaticContact CD2-CZ 3.93Å; F446-Y532 HydrophobicContact CE2-CE1 4.01Å; F446-Y532 AromaticContact CE2-CZ 3.89Å; N476-Y532 HydrophobicContact CB-CD1 4.39Å; N476-Y532 HydrophobicContact CB-CE1 4.43Å; N476-Y532 WeakPolarHBondContact O-CD1 3.07Å; P478-Y532 HydrophobicContact CB-CD1 3.86Å; P478-Y532 HydrophobicContact CB-CD2 4.5Å; P478-Y532 HydrophobicContact CB-CE1 3.68Å; P478-Y532 HydrophobicContact CB-CE2 4.33Å; P478-Y532 HydrophobicContact CB-CG 4.26Å; P478-Y532 HydrophobicContact CG-CD1 4.17Å; P478-Y532 HydrophobicContact CG-CD2 4.06Å; P478-Y532 HydrophobicContact CG-CE1 4.28Å; P478-Y532 HydrophobicContact CG-CE2 4.16Å; P478-Y532 HydrophobicContact CG-CG 4.05Å; M528-Y532 PolarHBondContact O-N 3.19Å; M528-Y532 VanDerWaalsContact O-N 3.11Å; H529-Y532 WeakPolarHBondContact O-CB 3.28Å; H529-Y532 PolarHBondContact O-N 3.32Å; Y532-Y534 VanDerWaalsContact C-N 3.33Å; Y532-Y534 PolarHBondContact O-N 2.95Å; Y532-D535 PolarHBondContact O-N 3.21Å; Y532-M536 PolarHBondContact O-N 3.35Å
533	G	98.7	Very high	98.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.9	-36.1	175.3	0	0	0	0	0	113.2	N476 M536 A537	N476-G533 VanDerWaalsContact O-CA 3.27Å; N476-G533 WeakPolarHBondContact O-CA 3.12Å; N476-G533 PolarHBondContact O-N 2.79Å; N476-G533 VanDerWaalsContact O-N 3.14Å; G533-M536 PolarHBondContact O-N 3.28Å; G533-A537 WeakPolarHBondContact O-CB 3.18Å; G533-A537 PolarHBondContact O-N 3.25Å
534	Y	98.6	Very high	98.5	Very high	4 Å²	4	11.7 Å²	11.7	2%	0.016	6%	0.057	C	C	.	.	H	α-helix	trans	-60.8	-48.7	173.3	170.3	-86.8	0	0	0	111.6	L143 P144 I531 Y532 A537 R538 F561 Y567	L143-Y534 HydrophobicContact CD2-CD1 4.15Å; L143-Y534 HydrophobicContact CD2-CD2 4.49Å; L143-Y534 HydrophobicContact CD2-CE1 3.58Å; L143-Y534 HydrophobicContact CD2-CE2 3.97Å; L143-Y534 VanDerWaalsContact CD2-CZ 3.48Å; P144-Y534 VanDerWaalsContact CD-OH 3.26Å; P144-Y534 WeakPolarHBondContact CD-OH 3.49Å; I531-Y534 WeakPolarHBondContact O-CB 2.96Å; I531-Y534 PolarHBondContact O-N 2.93Å; Y532-Y534 VanDerWaalsContact C-N 3.33Å; Y532-Y534 PolarHBondContact O-N 2.95Å; Y534-A537 PolarHBondContact O-N 3.34Å; Y534-R538 WeakPolarHBondContact O-CB 3.35Å; Y534-R538 PolarHBondContact O-N 2.9Å; Y534-F561 HydrophobicContact CD2-CB 4.49Å; Y534-F561 HydrophobicContact CG-CB 4.5Å; Y534-Y567 HydrophobicContact CE2-CD2 4.19Å; Y534-Y567 AromaticContact CE2-CE2 3.73Å; Y534-Y567 HydrophobicContact CE2-CE2 3.73Å; Y534-Y567 AromaticContact CZ-CE2 3.73Å
535	D	98.3	Very high	98.4	Very high	15 Å²	15	13 Å²	13	8%	0.08	7%	0.065	C	C	.	.	H	α-helix	trans	-67.1	-39.7	179.6	-87.7	-30.5	0	0	0	112	F446 M528 I531 Y532 A537 R538 V539	F446-D535 HydrophobicContact CB-CB 3.8Å; M528-D535 VanDerWaalsContact CE-OD2 3.28Å; M528-D535 WeakPolarHBondContact CE-OD2 3.3Å; I531-D535 PolarHBondContact O-N 3.33Å; Y532-D535 PolarHBondContact O-N 3.21Å; D535-A537 VanDerWaalsContact C-N 3.35Å; D535-A537 PolarHBondContact O-N 2.77Å; D535-R538 PolarHBondContact O-N 3Å; D535-R538 IonicContact OD1-CZ 2.67Å; D535-R538 IonicContact OD1-NE 2.65Å; D535-R538 PolarHBondContact OD1-NE 3.22Å; D535-R538 IonicContact OD1-NH2 3.37Å; D535-R538 PolarHBondContact OD1-NH2 3.13Å; D535-V539 WeakPolarHBondContact O-CB 3.46Å; D535-V539 WeakPolarHBondContact O-CG2 3.16Å; D535-V539 PolarHBondContact O-N 3.22Å
536	M	98.7	Very high	98.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.5	-43.7	173.5	-173.4	-179.8	-174.4	0	0	111.7	P400 F446 W455 I473 N476 Y532 G533 T540	P400-M536 HydrophobicContact CB-CE 4.05Å; P400-M536 HydrophobicContact CB-SD 3.89Å; P400-M536 HydrophobicContact CG-SD 4.34Å; F446-M536 HydrophobicContact CD1-CB 4.47Å; F446-M536 HydrophobicContact CD1-CG 4.46Å; F446-M536 HydrophobicContact CD2-CB 3.7Å; F446-M536 HydrophobicContact CD2-CG 4.07Å; F446-M536 HydrophobicContact CE1-CG 4.04Å; F446-M536 HydrophobicContact CE2-CB 3.75Å; F446-M536 HydrophobicContact CE2-CG 3.6Å; F446-M536 HydrophobicContact CE2-SD 3.93Å; F446-M536 HydrophobicContact CG-CB 4.09Å; F446-M536 HydrophobicContact CG-CG 4.48Å; F446-M536 HydrophobicContact CZ-CB 4.17Å; F446-M536 HydrophobicContact CZ-CE 4.12Å; F446-M536 HydrophobicContact CZ-CG 3.59Å; F446-M536 HydrophobicContact CZ-SD 4.07Å; W455-M536 HydrophobicContact CH2-CE 3.93Å; W455-M536 HydrophobicContact CZ2-CE 3.83Å; I473-M536 HydrophobicContact CB-CE 3.7Å; I473-M536 HydrophobicContact CB-SD 4.02Å; I473-M536 HydrophobicContact CD1-CB 4.41Å; I473-M536 HydrophobicContact CD1-CG 3.96Å; I473-M536 HydrophobicContact CD1-SD 4.36Å; I473-M536 HydrophobicContact CG2-CE 3.69Å; I473-M536 HydrophobicContact CG2-SD 4.49Å; N476-M536 HydrophobicContact CB-SD 3.53Å; N476-M536 VanDerWaalsContact CB-SD 3.53Å; Y532-M536 PolarHBondContact O-N 3.35Å; G533-M536 PolarHBondContact O-N 3.28Å; M536-T540 VanDerWaalsContact O-CB 3.26Å; M536-T540 WeakPolarHBondContact O-CB 3.4Å; M536-T540 PolarHBondContact O-N 2.88Å; M536-T540 PolarHBondContact O-OG1 2.97Å
537	A	98.8	Very high	98.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.4	-45.5	176.8	0	0	0	0	0	112	I473 G533 Y534 D535 T540 H541 A568	I473-A537 HydrophobicContact CD1-CB 3.9Å; G533-A537 WeakPolarHBondContact O-CB 3.18Å; G533-A537 PolarHBondContact O-N 3.25Å; Y534-A537 PolarHBondContact O-N 3.34Å; D535-A537 VanDerWaalsContact C-N 3.35Å; D535-A537 PolarHBondContact O-N 2.77Å; A537-T540 PolarHBondContact O-N 3.48Å; A537-H541 WeakPolarHBondContact O-CB 3.41Å; A537-H541 PolarHBondContact O-N 2.85Å; A537-A568 HydrophobicContact CB-CB 4.03Å
538	R	98.4	Very high	98.2	Very high	57 Å²	57	21.6 Å²	21.6	22%	0.215	10%	0.099	C	C	.	.	H	α-helix	trans	-60.9	-48.7	176.7	-179.7	-176.3	59	67.5	1.4	111.9	Y534 D535 H541 N542 Y567	Y534-R538 WeakPolarHBondContact O-CB 3.35Å; Y534-R538 PolarHBondContact O-N 2.9Å; D535-R538 PolarHBondContact O-N 3Å; D535-R538 IonicContact OD1-CZ 2.67Å; D535-R538 IonicContact OD1-NE 2.65Å; D535-R538 PolarHBondContact OD1-NE 3.22Å; D535-R538 IonicContact OD1-NH2 3.37Å; D535-R538 PolarHBondContact OD1-NH2 3.13Å; R538-H541 PolarHBondContact O-N 3.17Å; R538-N542 PolarHBondContact O-N 3.32Å; R538-Y567 HydrophobicContact CB-CD1 4.41Å; R538-Y567 HydrophobicContact CB-CD2 3.93Å; R538-Y567 HydrophobicContact CB-CE1 4.4Å; R538-Y567 HydrophobicContact CB-CE2 3.92Å; R538-Y567 HydrophobicContact CB-CG 4.18Å; R538-Y567 HydrophobicContact CG-CD1 4.38Å; R538-Y567 HydrophobicContact CG-CD2 4.44Å; R538-Y567 HydrophobicContact CG-CE1 3.96Å; R538-Y567 HydrophobicContact CG-CE2 4.03Å
539	V	98.6	Very high	98	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.012	12%	0.124	C	C	.	.	H	α-helix	trans	-62.3	-44.8	177.7	168.1	0	0	0	0	110.6	F446 E452 W455 D535 H541 N542 V543	F446-V539 HydrophobicContact CB-CG2 4.24Å; F446-V539 HydrophobicContact CD1-CB 4.12Å; F446-V539 HydrophobicContact CD1-CG1 4.07Å; F446-V539 HydrophobicContact CD1-CG2 4.33Å; E452-V539 HydrophobicContact CB-CG1 4.12Å; E452-V539 HydrophobicContact CG-CG1 4.25Å; W455-V539 HydrophobicContact CB-CG1 4.01Å; W455-V539 HydrophobicContact CG-CG1 4.16Å; D535-V539 WeakPolarHBondContact O-CB 3.46Å; D535-V539 WeakPolarHBondContact O-CG2 3.16Å; D535-V539 PolarHBondContact O-N 3.22Å; V539-H541 VanDerWaalsContact C-N 3.33Å; V539-H541 PolarHBondContact O-N 2.85Å; V539-N542 PolarHBondContact O-N 3.44Å; V539-V543 HydrophobicContact CG1-CG2 4.43Å; V539-V543 WeakPolarHBondContact O-CB 3.49Å; V539-V543 VanDerWaalsContact O-CG2 3.31Å; V539-V543 WeakPolarHBondContact O-CG2 3.32Å; V539-V543 PolarHBondContact O-N 3.21Å
540	T	98.8	Very high	97.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.4	-39.5	177.9	-56.1	0	0	0	0	111.7	W455 L471 I473 M536 A537 V543 L544 I555	W455-T540 PolarHBondContact NE1-OG1 3.48Å; L471-T540 HydrophobicContact CB-CG2 4.39Å; L471-T540 HydrophobicContact CD1-CG2 3.77Å; I473-T540 HydrophobicContact CG2-CG2 4.31Å; M536-T540 VanDerWaalsContact O-CB 3.26Å; M536-T540 WeakPolarHBondContact O-CB 3.4Å; M536-T540 PolarHBondContact O-N 2.88Å; M536-T540 PolarHBondContact O-OG1 2.97Å; A537-T540 PolarHBondContact O-N 3.48Å; T540-V543 PolarHBondContact O-N 3.34Å; T540-L544 HydrophobicContact CG2-CD1 4.37Å; T540-L544 HydrophobicContact CG2-CG 4.45Å; T540-L544 WeakPolarHBondContact O-CG 3.37Å; T540-L544 PolarHBondContact O-N 2.7Å; T540-I555 HydrophobicContact CG2-CD1 3.73Å; T540-I555 HydrophobicContact CG2-CG1 3.99Å; T540-I555 HydrophobicContact CG2-CG2 4.47Å
541	H	98.4	Very high	97.4	Very high	38 Å²	38	34.2 Å²	34.2	18%	0.176	17%	0.167	C	C	.	.	H	α-helix	trans	-59.7	-52.5	174.8	175.5	-76.8	0	0	0	111	A537 R538 V539 V543 L544 T545 P553 I555 Y567	A537-H541 WeakPolarHBondContact O-CB 3.41Å; A537-H541 PolarHBondContact O-N 2.85Å; R538-H541 PolarHBondContact O-N 3.17Å; V539-H541 VanDerWaalsContact C-N 3.33Å; V539-H541 PolarHBondContact O-N 2.85Å; H541-V543 VanDerWaalsContact C-N 3.29Å; H541-V543 PolarHBondContact O-N 3.09Å; H541-L544 PolarHBondContact O-N 3.49Å; H541-T545 PolarHBondContact CE1-OG1 3.33Å; H541-T545 PolarHBondContact O-N 3.28Å; H541-T545 PolarHBondContact O-OG1 3Å; H541-T545 VanDerWaalsContact O-OG1 3.09Å; H541-P553 WeakPolarHBondContact CD2-CG 3.39Å; H541-P553 WeakPolarHBondContact NE2-CG 3.47Å; H541-I555 HydrophobicContact CB-CD1 3.74Å; H541-Y567 HydrophobicContact CB-CD1 3.94Å; H541-Y567 HydrophobicContact CB-CG 4.32Å; H541-Y567 AromaticContact CG-CD1 3.78Å
542	N	98.2	Very high	97.3	Very high	53 Å²	53	34.9 Å²	34.9	28%	0.283	17%	0.169	S	C	.	.	H	α-helix	trans	-57.4	-42.8	177.6	-71.8	-3.5	0	0	0	112.2	E452 R538 V539 T545 R546	E452-N542 HydrophobicContact CG-CB 4.39Å; E452-N542 WeakPolarHBondContact OE1-CB 3.43Å; E452-N542 PolarHBondContact OE2-ND2 2.89Å; R538-N542 PolarHBondContact O-N 3.32Å; V539-N542 PolarHBondContact O-N 3.44Å; N542-T545 PolarHBondContact O-N 3.22Å; N542-R546 WeakPolarHBondContact O-CB 3.49Å; N542-R546 PolarHBondContact O-N 3.33Å
543	V	98.5	Very high	97.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.1	-49.4	176.3	162.9	0	0	0	0	111.6	E452 W455 F456 A459 V539 T540 H541 R546 M547	E452-V543 HydrophobicContact CG-CG2 4.1Å; W455-V543 HydrophobicContact CB-CG2 4.1Å; W455-V543 HydrophobicContact CG-CG2 4.29Å; F456-V543 HydrophobicContact CB-CG1 4.37Å; F456-V543 HydrophobicContact CB-CG2 3.85Å; F456-V543 HydrophobicContact CD2-CG1 4.25Å; A459-V543 HydrophobicContact CB-CG1 3.77Å; V539-V543 HydrophobicContact CG1-CG2 4.43Å; V539-V543 WeakPolarHBondContact O-CB 3.49Å; V539-V543 VanDerWaalsContact O-CG2 3.31Å; V539-V543 WeakPolarHBondContact O-CG2 3.32Å; V539-V543 PolarHBondContact O-N 3.21Å; T540-V543 PolarHBondContact O-N 3.34Å; H541-V543 VanDerWaalsContact C-N 3.29Å; H541-V543 PolarHBondContact O-N 3.09Å; V543-R546 PolarHBondContact O-N 2.85Å; V543-M547 HydrophobicContact CG1-CG 4.47Å; V543-M547 HydrophobicContact CG1-SD 3.74Å; V543-M547 VanDerWaalsContact O-CG 3.27Å; V543-M547 WeakPolarHBondContact O-CG 3.3Å; V543-M547 PolarHBondContact O-N 2.95Å
544	L	98	Very high	97.2	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-66.7	-38.7	179.9	-69.3	-176.5	0	0	0	112	F468 L471 T540 H541 R546 M547 F548 P553 I555	F468-L544 HydrophobicContact CE2-CD2 4.08Å; L471-L544 HydrophobicContact CD1-CD1 4.37Å; L471-L544 HydrophobicContact CD1-CD2 4Å; L471-L544 HydrophobicContact CD1-CG 4.39Å; L471-L544 HydrophobicContact CG-CD1 4.47Å; L471-L544 HydrophobicContact CG-CD2 4.43Å; T540-L544 HydrophobicContact CG2-CD1 4.37Å; T540-L544 HydrophobicContact CG2-CG 4.45Å; T540-L544 WeakPolarHBondContact O-CG 3.37Å; T540-L544 PolarHBondContact O-N 2.7Å; H541-L544 PolarHBondContact O-N 3.49Å; L544-R546 VanDerWaalsContact C-N 3.33Å; L544-R546 PolarHBondContact O-N 3.43Å; L544-M547 HydrophobicContact CD2-SD 4.4Å; L544-M547 PolarHBondContact O-N 3.38Å; L544-F548 HydrophobicContact CD2-CD2 4.5Å; L544-F548 HydrophobicContact CD2-CE2 4.16Å; L544-F548 WeakPolarHBondContact O-CD2 3.34Å; L544-F548 PolarHBondContact O-N 2.84Å; L544-P553 HydrophobicContact CB-CB 3.67Å; L544-P553 HydrophobicContact CD1-CB 3.93Å; L544-P553 HydrophobicContact CG-CB 4.47Å; L544-I555 HydrophobicContact CD1-CD1 3.97Å; L544-I555 HydrophobicContact CD1-CG1 3.62Å
545	T	97	Very high	97.2	Very high	53 Å²	53	36.3 Å²	36.3	33%	0.325	18%	0.179	S	C	.	.	H	α-helix	trans	-62.5	-39.2	172.5	-58.5	0	0	0	0	111.6	H541 N542 F548 P549	H541-T545 PolarHBondContact CE1-OG1 3.33Å; H541-T545 PolarHBondContact O-N 3.28Å; H541-T545 PolarHBondContact O-OG1 3Å; H541-T545 VanDerWaalsContact O-OG1 3.09Å; N542-T545 PolarHBondContact O-N 3.22Å; T545-F548 CarbonylContact O-C 3.55Å; T545-P549 WeakPolarHBondContact O-CA 3.39Å; T545-P549 VanDerWaalsContact O-N 3.11Å
546	R	97.4	Very high	97.3	Very high	124 Å²	124	35.6 Å²	35.6	47%	0.468	18%	0.175	S	C	.	.	H	α-helix	trans	-67.6	-36.9	175.6	-176	179.7	168	-176.6	1.3	112.3	D453 F456 N542 V543 L544	D453-R546 IonicContact OD1-CZ 2.96Å; D453-R546 IonicContact OD1-NH1 2.97Å; D453-R546 PolarHBondContact OD1-NH1 3.39Å; D453-R546 IonicContact OD1-NH2 2.68Å; F456-R546 VanDerWaalsContact CD1-CZ 3.43Å; F456-R546 HydrophobicContact CD2-CB 4.07Å; F456-R546 VanDerWaalsContact CD2-CD 3.48Å; F456-R546 HydrophobicContact CD2-CG 3.88Å; F456-R546 HydrophobicContact CE2-CB 3.91Å; F456-R546 VanDerWaalsContact CE2-CD 3.47Å; F456-R546 HydrophobicContact CE2-CG 3.45Å; F456-R546 VanDerWaalsContact CE2-CG 3.45Å; F456-R546 HydrophobicContact CZ-CG 4Å; N542-R546 WeakPolarHBondContact O-CB 3.49Å; N542-R546 PolarHBondContact O-N 3.33Å; V543-R546 PolarHBondContact O-N 2.85Å; L544-R546 VanDerWaalsContact C-N 3.33Å; L544-R546 PolarHBondContact O-N 3.43Å
547	M	97.1	Very high	97.3	Very high	31 Å²	31	35.7 Å²	35.7	15%	0.153	18%	0.175	C	C	.	.	H	α-helix	trans	-72.2	-37.4	177.4	-70.6	173	60.6	0	0	112.1	F456 A459 S460 H463 F468 V543 L544	F456-M547 HydrophobicContact CD2-CG 3.89Å; F456-M547 HydrophobicContact CE2-CG 3.51Å; A459-M547 HydrophobicContact CB-CE 4.4Å; A459-M547 HydrophobicContact CB-SD 3.71Å; S460-M547 WeakPolarHBondContact OG-CG 3.28Å; H463-M547 HydrophobicContact CB-CE 3.64Å; F468-M547 HydrophobicContact CZ-CE 4.21Å; V543-M547 HydrophobicContact CG1-CG 4.47Å; V543-M547 HydrophobicContact CG1-SD 3.74Å; V543-M547 VanDerWaalsContact O-CG 3.27Å; V543-M547 WeakPolarHBondContact O-CG 3.3Å; V543-M547 PolarHBondContact O-N 2.95Å; L544-M547 HydrophobicContact CD2-SD 4.4Å; L544-M547 PolarHBondContact O-N 3.38Å
548	F	95.5	Very high	97.3	Very high	54 Å²	54	35.7 Å²	35.7	24%	0.237	18%	0.176	C	C	.	.			trans	-133.3	69.5	-173.8	-46.9	-66.3	0	0	0	111.1	H463 L544 T545 D550 K551	H463-F548 AromaticContact CD2-CZ 3.64Å; H463-F548 AromaticContact CE1-CE1 3.7Å; H463-F548 AromaticContact CE1-CZ 3.63Å; H463-F548 AromaticContact CG-CZ 3.99Å; H463-F548 AromaticContact ND1-CZ 3.98Å; H463-F548 AromaticContact NE2-CE1 3.86Å; H463-F548 AromaticContact NE2-CZ 3.4Å; H463-F548 WeakPolarHBondContact NE2-CZ 3.3Å; L544-F548 HydrophobicContact CD2-CD2 4.5Å; L544-F548 HydrophobicContact CD2-CE2 4.16Å; L544-F548 WeakPolarHBondContact O-CD2 3.34Å; L544-F548 PolarHBondContact O-N 2.84Å; T545-F548 CarbonylContact O-C 3.55Å; F548-D550 PolarHBondContact O-N 3Å; F548-D550 VanDerWaalsContact O-N 3.09Å; F548-K551 HydrophobicContact CB-CB 3.99Å; F548-K551 HydrophobicContact CB-CD 4.36Å; F548-K551 HydrophobicContact CB-CG 4.38Å; F548-K551 PolarHBondContact O-N 3.34Å
549	P	93.6	Very high	97.3	Very high	85 Å²	85	33 Å²	33	55%	0.552	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.7	-172.2	23.7	-35.1	0	0	0	114.2	T545	T545-P549 WeakPolarHBondContact O-CA 3.39Å; T545-P549 VanDerWaalsContact O-N 3.11Å
550	D	91.5	Very high	97.3	Very high	105 Å²	105	32.9 Å²	32.9	56%	0.561	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-6.9	179.5	-59.9	-50.6	0	0	0	113.2	F548 D815 G816	F548-D550 PolarHBondContact O-N 3Å; F548-D550 VanDerWaalsContact O-N 3.09Å; D550-D815 VanDerWaalsContact O-CA 3.32Å; D550-D815 WeakPolarHBondContact O-CA 3.19Å; D550-G816 PolarHBondContact O-N 3.41Å
551	K	94.1	Very high	97.3	Very high	81 Å²	81	32.9 Å²	32.9	35%	0.352	17%	0.165	S	C	.	.	B	Isolated β-bridge	trans	-115.2	157	-174.7	-64	-171.6	174.3	-172.6	0	113	F548 D814	F548-K551 HydrophobicContact CB-CB 3.99Å; F548-K551 HydrophobicContact CB-CD 4.36Å; F548-K551 HydrophobicContact CB-CG 4.38Å; F548-K551 PolarHBondContact O-N 3.34Å; K551-D814 CarbonylContact C-O 3.55Å; K551-D814 VanDerWaalsContact CA-O 3.32Å; K551-D814 WeakPolarHBondContact CA-O 3.45Å; K551-D814 WeakPolarHBondContact CD-OD2 3.32Å
552	R	96.4	Very high	97.3	Very high	21 Å²	21	31.1 Å²	31.1	8%	0.079	16%	0.156	C	C	.	.			trans	-79.4	129.5	169.1	-68.1	162.7	-165.4	177.5	17.9	110.4	I317 P318 P319 Y668 D811 D814 D815 L818	I317-R552 WeakPolarHBondContact O-CD 3.15Å; P318-R552 PolarHBondContact O-NH1 3.36Å; P318-R552 VanDerWaalsContact O-NH1 3.11Å; P319-R552 HydrophobicContact CB-CB 4.17Å; P319-R552 HydrophobicContact CG-CB 4.38Å; R552-Y668 PolarHBondContact NH1-OH 3.45Å; R552-D811 IonicContact CZ-OD2 2.77Å; R552-D811 IonicContact NH1-OD2 3.03Å; R552-D811 PolarHBondContact NH1-OD2 2.75Å; R552-D811 IonicContact NH2-OD2 3.16Å; R552-D811 PolarHBondContact NH2-OD2 3.38Å; R552-D814 WeakPolarHBondContact CG-O 3.23Å; R552-D814 PolarHBondContact N-O 3.08Å; R552-D815 PolarHBondContact NE-O 3.43Å; R552-D815 PolarHBondContact NH2-O 3.34Å; R552-L818 VanDerWaalsContact NH2-CD2 3.3Å
553	P	97.1	Very high	97.3	Very high	31 Å²	31	28.8 Å²	28.8	20%	0.201	15%	0.145	C	C	.	.			trans	-67.9	142.1	171.4	29	-32.7	0	0	0	110.2	H541 L544 I555	H541-P553 WeakPolarHBondContact CD2-CG 3.39Å; H541-P553 WeakPolarHBondContact NE2-CG 3.47Å; L544-P553 HydrophobicContact CB-CB 3.67Å; L544-P553 HydrophobicContact CD1-CB 3.93Å; L544-P553 HydrophobicContact CG-CB 4.47Å; P553-I555 HydrophobicContact CB-CD1 4.49Å
554	F	98.4	Very high	97.3	Very high	5 Å²	5	28.8 Å²	28.8	2%	0.022	15%	0.145	C	C	.	.			trans	-113.7	116.1	165.4	-179.2	-100.8	0	0	0	109.4	P319 W321 S322 W356 V395 G470 L471 A569 M599 F628	P319-F554 HydrophobicContact CG-CB 4.05Å; P319-F554 HydrophobicContact CG-CD2 4.49Å; W321-F554 HydrophobicContact CH2-CB 3.72Å; W321-F554 AromaticContact CH2-CD1 3.5Å; W321-F554 HydrophobicContact CH2-CD1 3.5Å; W321-F554 VanDerWaalsContact CH2-CD1 3.5Å; W321-F554 HydrophobicContact CH2-CD2 4.42Å; W321-F554 HydrophobicContact CH2-CE1 4.23Å; W321-F554 AromaticContact CH2-CG 3.6Å; W321-F554 HydrophobicContact CH2-CG 3.6Å; W321-F554 HydrophobicContact CZ2-CB 3.55Å; W321-F554 HydrophobicContact CZ2-CD1 4.25Å; W321-F554 AromaticContact CZ2-CG 3.93Å; W321-F554 HydrophobicContact CZ2-CG 3.93Å; W321-F554 HydrophobicContact CZ3-CD1 4.25Å; W321-F554 HydrophobicContact CZ3-CG 4.44Å; S322-F554 VanDerWaalsContact CB-CE2 3.42Å; W356-F554 AromaticContact CH2-CE1 3.71Å; W356-F554 HydrophobicContact CH2-CE1 3.71Å; W356-F554 HydrophobicContact CH2-CZ 4.14Å; W356-F554 AromaticContact CZ2-CE1 3.63Å; W356-F554 HydrophobicContact CZ2-CE1 3.63Å; W356-F554 HydrophobicContact CZ2-CZ 4.06Å; V395-F554 HydrophobicContact CG2-CD1 4.11Å; V395-F554 HydrophobicContact CG2-CE1 4.15Å; G470-F554 VanDerWaalsContact CA-O 3.29Å; G470-F554 WeakPolarHBondContact CA-O 3.42Å; L471-F554 PolarHBondContact N-O 3.46Å; F554-A569 HydrophobicContact CE2-CB 4.34Å; F554-M599 HydrophobicContact CE2-CE 4.3Å; F554-F628 HydrophobicContact CZ-CD2 4.35Å; F554-F628 AromaticContact CZ-CE2 3.92Å; F554-F628 HydrophobicContact CZ-CE2 3.92Å
555	I	98.9	Very high	97.3	Very high	3 Å²	3	29 Å²	29	2%	0.015	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	130.5	179.3	-59.7	164.3	0	0	0	107.9	L471 I473 T540 H541 L544 P553 A568 A569	L471-I555 CarbonylContact O-C 3.47Å; L471-I555 VanDerWaalsContact O-CA 3.26Å; L471-I555 WeakPolarHBondContact O-CA 3.42Å; I473-I555 HydrophobicContact CD1-CG2 3.77Å; I473-I555 HydrophobicContact CG1-CG2 3.86Å; T540-I555 HydrophobicContact CG2-CD1 3.73Å; T540-I555 HydrophobicContact CG2-CG1 3.99Å; T540-I555 HydrophobicContact CG2-CG2 4.47Å; H541-I555 HydrophobicContact CB-CD1 3.74Å; L544-I555 HydrophobicContact CD1-CD1 3.97Å; L544-I555 HydrophobicContact CD1-CG1 3.62Å; P553-I555 HydrophobicContact CB-CD1 4.49Å; I555-A568 HydrophobicContact CB-CB 3.94Å; I555-A568 HydrophobicContact CG2-CB 3.74Å; I555-A568 WeakPolarHBondContact O-CA 3.32Å; I555-A569 WeakPolarHBondContact O-CB 3.21Å; I555-A569 PolarHBondContact O-N 3.09Å
556	L	98.9	Very high	97.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121.1	168.9	-172.9	77	0	0	0	108.6	W356 L471 W472 I473 A569 W571 F628	W356-L556 HydrophobicContact CH2-CB 3.92Å; W356-L556 HydrophobicContact CH2-CD2 3.57Å; W356-L556 HydrophobicContact CH2-CG 4.26Å; W356-L556 HydrophobicContact CZ3-CB 4.23Å; W356-L556 HydrophobicContact CZ3-CD2 3.52Å; W356-L556 HydrophobicContact CZ3-CG 4.48Å; L471-L556 PolarHBondContact O-N 3.3Å; W472-L556 CarbonylContact C-O 3.3Å; W472-L556 WeakPolarHBondContact CA-O 3.36Å; W472-L556 HydrophobicContact CG-CD2 4.36Å; I473-L556 WeakPolarHBondContact CG1-O 3.4Å; I473-L556 PolarHBondContact N-O 3.37Å; L556-A569 HydrophobicContact CD1-CB 3.88Å; L556-W571 HydrophobicContact CD1-CB 4.37Å; L556-W571 HydrophobicContact CD1-CE3 4.11Å; L556-W571 HydrophobicContact CD2-CB 4.35Å; L556-W571 HydrophobicContact CD2-CD2 3.91Å; L556-W571 HydrophobicContact CD2-CE3 3.41Å; L556-W571 VanDerWaalsContact CD2-CE3 3.41Å; L556-W571 HydrophobicContact CD2-CG 4.31Å; L556-W571 HydrophobicContact CD2-CZ3 3.93Å; L556-W571 HydrophobicContact CG-CD2 4.37Å; L556-W571 HydrophobicContact CG-CE3 3.46Å; L556-W571 VanDerWaalsContact CG-CE3 3.46Å; L556-W571 HydrophobicContact CG-CZ3 3.89Å; L556-F628 HydrophobicContact CD1-CD1 3.91Å; L556-F628 HydrophobicContact CD1-CE1 3.57Å; L556-F628 HydrophobicContact CD1-CZ 3.93Å; L556-F628 HydrophobicContact CD2-CE1 3.8Å; L556-F628 HydrophobicContact CD2-CZ 3.88Å; L556-F628 HydrophobicContact CG-CE1 4.35Å; L556-F628 HydrophobicContact CG-CZ 4.5Å
557	T	98.9	Very high	97.4	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	141.8	179.9	-169.5	0	0	0	0	112.7	I473 N476 S559 A568 A569 H570	I473-T557 WeakPolarHBondContact O-CA 3.38Å; N476-T557 PolarHBondContact ND2-OG1 2.98Å; T557-S559 WeakPolarHBondContact CG2-O 3.34Å; T557-S559 PolarHBondContact OG1-O 2.98Å; T557-A568 HydrophobicContact CG2-CB 3.65Å; T557-A569 PolarHBondContact N-O 2.86Å; T557-H570 PolarHBondContact O-ND1 2.93Å
558	R	98.8	Very high	97.4	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	12%	0.123	C	C	.	.	S	Bend	trans	-78.9	-69	173.2	-153.8	166.4	58.2	-172.6	14.6	110.3	D236 Y246 I473 D474 M475 E477 H570 W571	D236-R558 VanDerWaalsContact CG-NH2 3.26Å; D236-R558 IonicContact OD1-CZ 2.7Å; D236-R558 IonicContact OD1-NH1 3.95Å; D236-R558 IonicContact OD1-NH2 3.15Å; D236-R558 PolarHBondContact OD1-NH2 3Å; Y246-R558 HydrophobicContact CD1-CG 3.76Å; Y246-R558 HydrophobicContact CD2-CG 4.17Å; Y246-R558 HydrophobicContact CE1-CG 4.35Å; Y246-R558 HydrophobicContact CG-CG 3.65Å; I473-R558 PolarHBondContact O-N 2.79Å; D474-R558 WeakPolarHBondContact OD1-CD 3.28Å; D474-R558 IonicContact OD1-CZ 3.63Å; D474-R558 IonicContact OD1-NE 2.67Å; D474-R558 PolarHBondContact OD1-NE 3.03Å; D474-R558 IonicContact OD1-NH1 3.49Å; D474-R558 PolarHBondContact OD1-NH1 3.07Å; D474-R558 IonicContact OD1-NH2 3.22Å; D474-R558 IonicContact OD2-NH1 3.93Å; M475-R558 PolarHBondContact SD-NH1 2.83Å; M475-R558 PolarHBondContact SD-NH2 2.89Å; M475-R558 VanDerWaalsContact SD-NH2 3.35Å; E477-R558 IonicContact OE1-CZ 2.65Å; E477-R558 IonicContact OE1-NE 3.85Å; E477-R558 PolarHBondContact OE1-NE 2.77Å; E477-R558 IonicContact OE1-NH2 3.93Å; E477-R558 PolarHBondContact OE1-NH2 2.98Å; E477-R558 IonicContact OE2-CZ 3.59Å; E477-R558 IonicContact OE2-NE 3.4Å; E477-R558 IonicContact OE2-NH2 2.87Å; E477-R558 PolarHBondContact OE2-NH2 3.49Å; R558-H570 PolarHBondContact O-CE1 2.95Å; R558-H570 PolarHBondContact O-ND1 2.92Å; R558-W571 VanDerWaalsContact CA-CZ3 3.49Å; R558-W571 HydrophobicContact CB-CH2 3.3Å; R558-W571 HydrophobicContact CB-CZ2 3.91Å; R558-W571 HydrophobicContact CB-CZ3 3.74Å; R558-W571 HydrophobicContact CG-CH2 3.64Å; R558-W571 HydrophobicContact CG-CZ2 3.68Å; R558-W571 HydrophobicContact CG-CZ3 4.25Å
559	S	98.8	Very high	97.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-72.8	139	178.4	-170.9	0	0	0	0	111.1	S234 Y246 N476 T557	S234-S559 PolarHBondContact OG-OG 3.01Å; Y246-S559 WeakPolarHBondContact O-CA 3.46Å; Y246-S559 WeakPolarHBondContact O-CB 3.44Å; Y246-S559 PolarHBondContact O-OG 3.05Å; N476-S559 VanDerWaalsContact O-CB 3.25Å; N476-S559 WeakPolarHBondContact O-CB 3.18Å; N476-S559 VanDerWaalsContact OD1-CB 3.29Å; N476-S559 WeakPolarHBondContact OD1-CB 3.32Å; N476-S559 PolarHBondContact OD1-N 3.22Å; T557-S559 WeakPolarHBondContact CG2-O 3.34Å; T557-S559 PolarHBondContact OG1-O 2.98Å
560	S	98.8	Very high	97.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.			trans	-148	154.2	-176.6	58.9	0	0	0	0	112.4	G247 T248 H249	G247-S560 CarbonylContact C-O 3.57Å; G247-S560 WeakPolarHBondContact CA-O 3.37Å; T248-S560 PolarHBondContact N-O 3.28Å; H249-S560 PolarHBondContact NE2-OG 3.31Å
561	F	98.7	Very high	98.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-132.2	176.6	173.5	-164.3	-105.6	0	0	0	109.6	L143 T248 H249 L267 N530 I531 Y534 G563 S564	L143-F561 HydrophobicContact CD1-CD1 3.99Å; L143-F561 HydrophobicContact CD1-CE1 3.86Å; T248-F561 HydrophobicContact CG2-CD2 4.29Å; T248-F561 HydrophobicContact CG2-CE2 4Å; T248-F561 WeakPolarHBondContact O-CD2 3.34Å; H249-F561 PolarHBondContact CE1-O 2.99Å; L267-F561 HydrophobicContact CD1-CE1 4.37Å; N530-F561 HydrophobicContact CB-CD2 4.26Å; N530-F561 HydrophobicContact CB-CE2 4.39Å; I531-F561 HydrophobicContact CG2-CB 4.12Å; I531-F561 HydrophobicContact CG2-CD1 3.68Å; I531-F561 HydrophobicContact CG2-CD2 4.02Å; I531-F561 HydrophobicContact CG2-CE1 4.07Å; I531-F561 HydrophobicContact CG2-CE2 4.39Å; I531-F561 HydrophobicContact CG2-CG 3.67Å; I531-F561 HydrophobicContact CG2-CZ 4.41Å; Y534-F561 HydrophobicContact CD2-CB 4.49Å; Y534-F561 HydrophobicContact CG-CB 4.5Å; F561-G563 PolarHBondContact O-N 3.33Å; F561-S564 PolarHBondContact N-OG 3.03Å; F561-S564 WeakPolarHBondContact O-CB 3.29Å; F561-S564 PolarHBondContact O-N 3.37Å; F561-S564 PolarHBondContact O-OG 2.94Å
562	A	98.3	Very high	98.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	125.7	173.2	0	0	0	0	0	111.3	L143 F265 Y308 I312	L143-A562 HydrophobicContact CD1-CB 4.48Å; F265-A562 HydrophobicContact CE1-CB 4.49Å; F265-A562 HydrophobicContact CE2-CB 3.68Å; F265-A562 HydrophobicContact CZ-CB 3.47Å; F265-A562 VanDerWaalsContact CZ-CB 3.47Å; Y308-A562 WeakPolarHBondContact OH-CB 3.29Å; I312-A562 HydrophobicContact CG2-CB 4.25Å
563	G	97.9	Very high	98.4	Very high	5 Å²	5	7.1 Å²	7.1	5%	0.052	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	-4.9	-177.5	0	0	0	0	0	115.5	F561 G565 L566	F561-G563 PolarHBondContact O-N 3.33Å; G563-G565 PolarHBondContact O-N 2.85Å; G563-G565 VanDerWaalsContact O-N 3.1Å; G563-L566 WeakPolarHBondContact O-CB 3.11Å; G563-L566 PolarHBondContact O-N 2.81Å; G563-L566 VanDerWaalsContact O-N 3.09Å
564	S	98.7	Very high	98.4	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-57.4	-26.7	177.1	-75.3	0	0	0	0	113.6	F561 L566 Y567 A568	F561-S564 PolarHBondContact N-OG 3.03Å; F561-S564 WeakPolarHBondContact O-CB 3.29Å; F561-S564 PolarHBondContact O-N 3.37Å; F561-S564 PolarHBondContact O-OG 2.94Å; S564-L566 PolarHBondContact O-N 2.81Å; S564-Y567 PolarHBondContact O-N 2.97Å; S564-A568 PolarHBondContact O-N 3.15Å
565	G	98.3	Very high	98.4	Very high	8 Å²	8	7 Å²	7	8%	0.082	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-66.6	-12.3	178.4	0	0	0	0	0	114.9	P315 P316 G563 Y567 G596	P315-G565 WeakPolarHBondContact CA-O 3.33Å; P315-G565 WeakPolarHBondContact CB-O 3.31Å; P316-G565 VanDerWaalsContact CD-O 3.3Å; P316-G565 WeakPolarHBondContact CD-O 3.46Å; G563-G565 PolarHBondContact O-N 2.85Å; G563-G565 VanDerWaalsContact O-N 3.1Å; G565-Y567 PolarHBondContact O-N 3.04Å; G565-G596 WeakPolarHBondContact CA-O 3.41Å
566	L	97.5	Very high	98.3	Very high	39 Å²	39	9.6 Å²	9.6	20%	0.204	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-66.1	-26.1	167.7	-75.3	170.9	0	0	0	112.8	I312 H314 G563 S564	I312-L566 WeakPolarHBondContact O-CD1 3.24Å; H314-L566 VanDerWaalsContact O-CD2 3.29Å; H314-L566 WeakPolarHBondContact O-CD2 3.45Å; G563-L566 WeakPolarHBondContact O-CB 3.11Å; G563-L566 PolarHBondContact O-N 2.81Å; G563-L566 VanDerWaalsContact O-N 3.09Å; S564-L566 PolarHBondContact O-N 2.81Å
567	Y	98.5	Very high	98.3	Very high	36 Å²	36	10.4 Å²	10.4	14%	0.141	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-31.6	-165.5	-51.7	-60.9	0	0	0	113.2	Y534 R538 H541 S564 G565	Y534-Y567 HydrophobicContact CE2-CD2 4.19Å; Y534-Y567 AromaticContact CE2-CE2 3.73Å; Y534-Y567 HydrophobicContact CE2-CE2 3.73Å; Y534-Y567 AromaticContact CZ-CE2 3.73Å; R538-Y567 HydrophobicContact CB-CD1 4.41Å; R538-Y567 HydrophobicContact CB-CD2 3.93Å; R538-Y567 HydrophobicContact CB-CE1 4.4Å; R538-Y567 HydrophobicContact CB-CE2 3.92Å; R538-Y567 HydrophobicContact CB-CG 4.18Å; R538-Y567 HydrophobicContact CG-CD1 4.38Å; R538-Y567 HydrophobicContact CG-CD2 4.44Å; R538-Y567 HydrophobicContact CG-CE1 3.96Å; R538-Y567 HydrophobicContact CG-CE2 4.03Å; H541-Y567 HydrophobicContact CB-CD1 3.94Å; H541-Y567 HydrophobicContact CB-CG 4.32Å; H541-Y567 AromaticContact CG-CD1 3.78Å; S564-Y567 PolarHBondContact O-N 2.97Å; G565-Y567 PolarHBondContact O-N 3.04Å
568	A	98.7	Very high	98.3	Very high	10 Å²	10	12.8 Å²	12.8	8%	0.083	7%	0.072	C	C	.	.			trans	-147.5	151.7	-171.2	0	0	0	0	0	113.7	A537 I555 T557 S564	A537-A568 HydrophobicContact CB-CB 4.03Å; I555-A568 HydrophobicContact CB-CB 3.94Å; I555-A568 HydrophobicContact CG2-CB 3.74Å; I555-A568 WeakPolarHBondContact O-CA 3.32Å; T557-A568 HydrophobicContact CG2-CB 3.65Å; S564-A568 PolarHBondContact O-N 3.15Å
569	A	98.9	Very high	98.2	Very high	7 Å²	7	14.1 Å²	14.1	6%	0.058	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	167.2	159.3	0	0	0	0	0	110.7	F554 I555 L556 T557 M599	F554-A569 HydrophobicContact CE2-CB 4.34Å; I555-A569 WeakPolarHBondContact O-CB 3.21Å; I555-A569 PolarHBondContact O-N 3.09Å; L556-A569 HydrophobicContact CD1-CB 3.88Å; T557-A569 PolarHBondContact N-O 2.86Å; A569-M599 WeakPolarHBondContact CA-O 3.43Å; A569-M599 HydrophobicContact CB-CB 3.82Å; A569-M599 HydrophobicContact CB-CG 3.48Å; A569-M599 VanDerWaalsContact CB-CG 3.48Å; A569-M599 VanDerWaalsContact CB-O 3.31Å; A569-M599 WeakPolarHBondContact CB-O 2.93Å
570	H	98.9	Very high	98.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	154.2	179.3	176.1	70.1	0	0	0	111.8	E215 T557 R558 F592 I597 M599 V600 G601	E215-H570 IonicContact OE1-CE1 3.5Å; E215-H570 IonicContact OE1-NE2 3.08Å; E215-H570 PolarHBondContact OE1-NE2 3.27Å; E215-H570 IonicContact OE2-CE1 3.41Å; E215-H570 IonicContact OE2-NE2 3.74Å; T557-H570 PolarHBondContact O-ND1 2.93Å; R558-H570 PolarHBondContact O-CE1 2.95Å; R558-H570 PolarHBondContact O-ND1 2.92Å; H570-F592 HydrophobicContact CB-CD1 4.43Å; H570-F592 HydrophobicContact CB-CE1 4.43Å; H570-F592 AromaticContact CD2-CD1 3.52Å; H570-F592 AromaticContact CD2-CD2 3.84Å; H570-F592 AromaticContact CD2-CE1 3.17Å; H570-F592 WeakPolarHBondContact CD2-CE1 3.14Å; H570-F592 AromaticContact CD2-CE2 3.51Å; H570-F592 AromaticContact CD2-CG 3.85Å; H570-F592 AromaticContact CD2-CZ 3.18Å; H570-F592 WeakPolarHBondContact CD2-CZ 3.26Å; H570-F592 AromaticContact CE1-CZ 3.76Å; H570-F592 AromaticContact CG-CE1 3.72Å; H570-F592 AromaticContact NE2-CE1 3.45Å; H570-F592 WeakPolarHBondContact NE2-CE1 3.25Å; H570-F592 AromaticContact NE2-CE2 3.35Å; H570-F592 WeakPolarHBondContact NE2-CE2 3.35Å; H570-F592 AromaticContact NE2-CZ 2.96Å; H570-F592 WeakPolarHBondContact NE2-CZ 3.49Å; H570-I597 HydrophobicContact CB-CG2 3.79Å; H570-M599 PolarHBondContact N-O 3.36Å; H570-V600 VanDerWaalsContact O-CA 3.28Å; H570-V600 WeakPolarHBondContact O-CA 3.05Å; H570-G601 PolarHBondContact O-N 3.06Å
571	W	98.7	Very high	98	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	150.3	165.3	84.5	107.4	0	0	0	109.7	W472 D474 L556 R558 G573 G601 F628	W472-W571 AromaticContact CD1-CH2 3.61Å; W472-W571 AromaticContact CD1-CZ3 3.58Å; W472-W571 AromaticContact CE2-CH2 3.84Å; W472-W571 AromaticContact CE2-CZ2 3.98Å; W472-W571 HydrophobicContact CZ2-CH2 4.3Å; W472-W571 AromaticContact CZ2-CZ2 3.99Å; W472-W571 HydrophobicContact CZ2-CZ2 3.99Å; W472-W571 AromaticContact NE1-CH2 2.83Å; W472-W571 AromaticContact NE1-CZ2 3.39Å; W472-W571 AromaticContact NE1-CZ3 3.27Å; W472-W571 VanDerWaalsContact NE1-CZ3 3.27Å; D474-W571 HydrophobicContact CB-CH2 4.26Å; D474-W571 WeakPolarHBondContact OD1-CH2 3.23Å; L556-W571 HydrophobicContact CD1-CB 4.37Å; L556-W571 HydrophobicContact CD1-CE3 4.11Å; L556-W571 HydrophobicContact CD2-CB 4.35Å; L556-W571 HydrophobicContact CD2-CD2 3.91Å; L556-W571 HydrophobicContact CD2-CE3 3.41Å; L556-W571 VanDerWaalsContact CD2-CE3 3.41Å; L556-W571 HydrophobicContact CD2-CG 4.31Å; L556-W571 HydrophobicContact CD2-CZ3 3.93Å; L556-W571 HydrophobicContact CG-CD2 4.37Å; L556-W571 HydrophobicContact CG-CE3 3.46Å; L556-W571 VanDerWaalsContact CG-CE3 3.46Å; L556-W571 HydrophobicContact CG-CZ3 3.89Å; R558-W571 VanDerWaalsContact CA-CZ3 3.49Å; R558-W571 HydrophobicContact CB-CH2 3.3Å; R558-W571 HydrophobicContact CB-CZ2 3.91Å; R558-W571 HydrophobicContact CB-CZ3 3.74Å; R558-W571 HydrophobicContact CG-CH2 3.64Å; R558-W571 HydrophobicContact CG-CZ2 3.68Å; R558-W571 HydrophobicContact CG-CZ3 4.25Å; W571-G573 VanDerWaalsContact CD1-N 3.27Å; W571-G573 VanDerWaalsContact NE1-CA 3.32Å; W571-G573 PolarHBondContact O-N 2.89Å; W571-G601 WeakPolarHBondContact CA-O 3.5Å; W571-G601 WeakPolarHBondContact CB-O 3.34Å; W571-F628 HydrophobicContact CB-CD1 4.45Å; W571-F628 HydrophobicContact CB-CE1 4.23Å
572	T	98	Very high	98	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.025	11%	0.106	C	C	.	.			trans	-74.9	23.1	-170.9	64.9	0	0	0	0	114.5	Q588 I589 V600 G601 A602	T572-Q588 HydrophobicContact CG2-CB 3.56Å; T572-Q588 HydrophobicContact CG2-CG 4.2Å; T572-I589 HydrophobicContact CG2-CD1 4.48Å; T572-V600 HydrophobicContact CG2-CG2 4.47Å; T572-G601 PolarHBondContact N-O 2.73Å; T572-G601 VanDerWaalsContact N-O 3.09Å; T572-A602 WeakPolarHBondContact OG1-CA 3.37Å; T572-A602 VanDerWaalsContact OG1-CB 3.28Å; T572-A602 WeakPolarHBondContact OG1-CB 3.3Å
573	G	96.8	Very high	98	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.			trans	67.8	-154.1	176.4	0	0	0	0	0	116.1	Y246 W571 V575	Y246-G573 VanDerWaalsContact CE2-CA 3.48Å; W571-G573 VanDerWaalsContact CD1-N 3.27Å; W571-G573 VanDerWaalsContact NE1-CA 3.32Å; W571-G573 PolarHBondContact O-N 2.89Å; G573-V575 PolarHBondContact O-N 2.73Å
574	D	97.3	Very high	97.9	Very high	30 Å²	30	23.7 Å²	23.7	16%	0.16	13%	0.126	C	C	.	.	S	Bend	trans	-81.1	51.5	-163.3	-67.6	9.5	0	0	0	112.9	P239 Y246 F607 T608	P239-D574 WeakPolarHBondContact CD-O 3.45Å; Y246-D574 PolarHBondContact OH-N 3.12Å; D574-F607 HydrophobicContact CB-CD1 3.58Å; D574-F607 HydrophobicContact CB-CE1 3.85Å; D574-F607 VanDerWaalsContact CG-CE1 3.48Å; D574-T608 PolarHBondContact O-OG1 2.93Å
575	V	97.8	Very high	97.9	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.018	13%	0.127	C	C	.	.			trans	-57	148.3	-176.8	-65.6	0	0	0	0	112.7	P239 G573 D603 F607 T608 W619	P239-V575 HydrophobicContact CG-CG1 4.16Å; G573-V575 PolarHBondContact O-N 2.73Å; V575-D603 HydrophobicContact CG2-CB 4.3Å; V575-F607 PolarHBondContact O-N 3.32Å; V575-T608 PolarHBondContact O-N 2.77Å; V575-W619 HydrophobicContact CG2-CH2 4.15Å; V575-W619 HydrophobicContact CG2-CZ2 4.12Å
576	L	97.9	Very high	97.9	Very high	58 Å²	58	23.5 Å²	23.5	30%	0.304	12%	0.123	S	C	.	.	B	Isolated β-bridge	trans	-75.4	146.4	178.3	-60.9	170.9	0	0	0	111.1	I238 N578 S581 T608 W619	I238-L576 HydrophobicContact CG2-CD1 4.48Å; I238-L576 HydrophobicContact CG2-CD2 3.68Å; I238-L576 HydrophobicContact CG2-CG 3.91Å; L576-N578 PolarHBondContact O-N 3.49Å; L576-S581 WeakPolarHBondContact CB-OG 3.42Å; L576-S581 PolarHBondContact N-OG 2.82Å; L576-S581 WeakPolarHBondContact O-CB 3.44Å; L576-S581 PolarHBondContact O-OG 2.94Å; L576-T608 HydrophobicContact CD2-CG2 3.73Å; L576-W619 WeakPolarHBondContact O-CH2 3.4Å
577	S	98.4	Very high	97.9	Very high	17 Å²	17	22.2 Å²	22.2	12%	0.119	12%	0.117	C	C	.	.	S	Bend	trans	-75.9	64.8	171.9	-53.3	0	0	0	0	111.5	C605 G606 T608 G609 L615	S577-C605 PolarHBondContact OG-O 3.28Å; S577-G606 VanDerWaalsContact OG-C 3.31Å; S577-T608 PolarHBondContact N-O 2.83Å; S577-T608 PolarHBondContact OG-O 3.41Å; S577-G609 WeakPolarHBondContact CB-O 3.35Å; S577-G609 PolarHBondContact OG-O 2.92Å; S577-L615 VanDerWaalsContact C-CD2 3.48Å; S577-L615 WeakPolarHBondContact O-CD2 3.27Å
578	N	97.9	Very high	97.9	Very high	50 Å²	50	20.7 Å²	20.7	27%	0.267	11%	0.111	S	C	.	.	S	Bend	trans	-143	166.7	179	68.6	23.9	0	0	0	113.3	L576 D580 S581 L582	L576-N578 PolarHBondContact O-N 3.49Å; N578-D580 VanDerWaalsContact C-N 3.32Å; N578-D580 PolarHBondContact O-N 3.09Å; N578-D580 PolarHBondContact OD1-N 2.85Å; N578-S581 PolarHBondContact O-N 2.88Å; N578-S581 VanDerWaalsContact OD1-CB 3.28Å; N578-S581 WeakPolarHBondContact OD1-CB 3.25Å; N578-S581 PolarHBondContact OD1-N 2.92Å; N578-S581 PolarHBondContact OD1-OG 3.5Å; N578-L582 PolarHBondContact O-N 2.79Å
579	W	98.1	Very high	97.8	Very high	29 Å²	29	20.2 Å²	20.2	11%	0.11	11%	0.108	C	C	.	.	H	α-helix	trans	-66.8	-27.8	-178.2	-67.2	96.4	0	0	0	114.1	L582 K583 E614 L615 R618 E716	W579-L582 HydrophobicContact CE3-CD2 3.69Å; W579-L582 HydrophobicContact CZ3-CD2 3.9Å; W579-L582 WeakPolarHBondContact O-CB 3.33Å; W579-K583 WeakPolarHBondContact O-CG 3.09Å; W579-K583 PolarHBondContact O-N 2.62Å; W579-E614 HydrophobicContact CH2-CG 4Å; W579-E614 HydrophobicContact CZ2-CB 4.39Å; W579-E614 HydrophobicContact CZ2-CG 3.9Å; W579-L615 HydrophobicContact CD2-CD1 3.79Å; W579-L615 HydrophobicContact CE3-CD1 4.03Å; W579-L615 HydrophobicContact CG-CD1 4.15Å; W579-L615 HydrophobicContact CZ2-CB 4.25Å; W579-L615 HydrophobicContact CZ2-CD1 4.41Å; W579-L615 HydrophobicContact CZ3-CD1 4.48Å; W579-R618 HydrophobicContact CH2-CB 4.04Å; W579-R618 HydrophobicContact CH2-CG 3.57Å; W579-R618 HydrophobicContact CZ3-CB 3.95Å; W579-R618 HydrophobicContact CZ3-CG 3.81Å; W579-E716 HydrophobicContact CD2-CB 4.14Å; W579-E716 HydrophobicContact CG-CB 4.42Å; W579-E716 VanDerWaalsContact CZ2-CA 3.46Å; W579-E716 HydrophobicContact CZ2-CB 3.76Å; W579-E716 HydrophobicContact CZ2-CG 3.79Å; W579-E716 PolarHBondContact NE1-OE1 3.04Å
580	D	96.2	Very high	97.8	Very high	104 Å²	104	20 Å²	20	56%	0.556	11%	0.105	S	C	*	.	H	α-helix	trans	-71.3	-40.3	177.5	-70.1	-29.1	0	0	0	111.6	N578 L582 K583 T584	N578-D580 VanDerWaalsContact C-N 3.32Å; N578-D580 PolarHBondContact O-N 3.09Å; N578-D580 PolarHBondContact OD1-N 2.85Å; D580-L582 VanDerWaalsContact C-N 3.34Å; D580-K583 WeakPolarHBondContact O-CB 3.42Å; D580-K583 PolarHBondContact O-N 2.94Å; D580-K583 IonicContact OD1-NZ 3.02Å; D580-T584 PolarHBondContact O-N 2.81Å; D580-T584 PolarHBondContact O-OG1 2.94Å; D580-T584 VanDerWaalsContact O-OG1 3.07Å
581	S	97.3	Very high	97.8	Very high	8 Å²	8	20 Å²	20	6%	0.056	11%	0.106	C	C	.	.	H	α-helix	trans	-66.6	-37.6	174.5	-56.1	0	0	0	0	111.3	L576 N578 K583 T584 S585	L576-S581 WeakPolarHBondContact CB-OG 3.42Å; L576-S581 PolarHBondContact N-OG 2.82Å; L576-S581 WeakPolarHBondContact O-CB 3.44Å; L576-S581 PolarHBondContact O-OG 2.94Å; N578-S581 PolarHBondContact O-N 2.88Å; N578-S581 VanDerWaalsContact OD1-CB 3.28Å; N578-S581 WeakPolarHBondContact OD1-CB 3.25Å; N578-S581 PolarHBondContact OD1-N 2.92Å; N578-S581 PolarHBondContact OD1-OG 3.5Å; S581-K583 VanDerWaalsContact C-N 3.35Å; S581-K583 PolarHBondContact O-N 3.29Å; S581-T584 PolarHBondContact O-N 3.01Å; S581-S585 WeakPolarHBondContact O-CB 3.3Å; S581-S585 PolarHBondContact O-N 2.88Å
582	L	98.3	Very high	97.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-56	-48	169.9	176.8	72	0	0	0	111	N578 W579 D580 S585 L615 R618 W619 L622 L714	N578-L582 PolarHBondContact O-N 2.79Å; W579-L582 HydrophobicContact CE3-CD2 3.69Å; W579-L582 HydrophobicContact CZ3-CD2 3.9Å; W579-L582 WeakPolarHBondContact O-CB 3.33Å; D580-L582 VanDerWaalsContact C-N 3.34Å; L582-S585 PolarHBondContact O-N 2.77Å; L582-S585 PolarHBondContact O-OG 3.02Å; L582-L615 HydrophobicContact CB-CD1 4.3Å; L582-L615 HydrophobicContact CD2-CD1 4.1Å; L582-R618 HydrophobicContact CD2-CB 4.3Å; L582-W619 HydrophobicContact CB-CD2 4.24Å; L582-W619 HydrophobicContact CB-CE3 4.13Å; L582-W619 HydrophobicContact CB-CZ3 4.31Å; L582-W619 HydrophobicContact CD1-CB 3.75Å; L582-W619 HydrophobicContact CD1-CD2 3.6Å; L582-W619 HydrophobicContact CD1-CE3 4.21Å; L582-W619 HydrophobicContact CD1-CG 3.38Å; L582-L622 HydrophobicContact CD1-CB 4.4Å; L582-L622 HydrophobicContact CD1-CD2 3.62Å; L582-L622 HydrophobicContact CG-CD2 4.3Å; L582-L714 HydrophobicContact CD2-CD2 4.02Å; L582-L714 HydrophobicContact CG-CD2 3.85Å
583	K	97.4	Very high	97.8	Very high	63 Å²	63	19.9 Å²	19.9	27%	0.274	11%	0.105	S	C	.	.	H	α-helix	trans	-61.8	-47.8	176.6	-71.3	167.8	-168.5	173.7	0	112.1	W579 D580 S581 S585 V586 L714 D715	W579-K583 WeakPolarHBondContact O-CG 3.09Å; W579-K583 PolarHBondContact O-N 2.62Å; D580-K583 WeakPolarHBondContact O-CB 3.42Å; D580-K583 PolarHBondContact O-N 2.94Å; D580-K583 IonicContact OD1-NZ 3.02Å; S581-K583 VanDerWaalsContact C-N 3.35Å; S581-K583 PolarHBondContact O-N 3.29Å; K583-S585 PolarHBondContact O-N 2.92Å; K583-V586 PolarHBondContact O-N 3.48Å; K583-L714 HydrophobicContact CD-CB 4.48Å; K583-L714 WeakPolarHBondContact CE-O 3.25Å; K583-L714 HydrophobicContact CG-CB 3.61Å; K583-L714 HydrophobicContact CG-CD1 4.06Å; K583-L714 HydrophobicContact CG-CG 4.32Å; K583-D715 WeakPolarHBondContact CE-OD1 3.34Å; K583-D715 IonicContact NZ-OD1 3.49Å; K583-D715 PolarHBondContact NZ-OD1 2.88Å
584	T	96.8	Very high	97.9	Very high	32 Å²	32	20 Å²	20	20%	0.196	11%	0.105	C	C	.	.	H	α-helix	trans	-64.5	-31.3	-176.4	-60.4	0	0	0	0	112.2	E217 D580 S581 V586 V587 Q588	E217-T584 HydrophobicContact CB-CG2 3.91Å; E217-T584 VanDerWaalsContact CD-CG2 3.48Å; E217-T584 HydrophobicContact CG-CG2 3.53Å; E217-T584 WeakPolarHBondContact OE1-CG2 3.28Å; D580-T584 PolarHBondContact O-N 2.81Å; D580-T584 PolarHBondContact O-OG1 2.94Å; D580-T584 VanDerWaalsContact O-OG1 3.07Å; S581-T584 PolarHBondContact O-N 3.01Å; T584-V586 VanDerWaalsContact C-N 3.28Å; T584-V586 PolarHBondContact O-N 3.39Å; T584-V587 WeakPolarHBondContact O-CB 3.35Å; T584-V587 PolarHBondContact O-N 3.1Å; T584-Q588 HydrophobicContact CG2-CG 4.25Å; T584-Q588 PolarHBondContact O-N 3.5Å
585	S	98.1	Very high	97.9	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.021	10%	0.098	C	C	.	.	H	α-helix	trans	-57	-38.7	176.9	73.6	0	0	0	0	112.9	S581 L582 K583 V587 Q588 I589 Y626	S581-S585 WeakPolarHBondContact O-CB 3.3Å; S581-S585 PolarHBondContact O-N 2.88Å; L582-S585 PolarHBondContact O-N 2.77Å; L582-S585 PolarHBondContact O-OG 3.02Å; K583-S585 PolarHBondContact O-N 2.92Å; S585-V587 VanDerWaalsContact C-N 3.26Å; S585-V587 PolarHBondContact O-N 2.95Å; S585-Q588 PolarHBondContact O-N 2.97Å; S585-Q588 VanDerWaalsContact O-N 3.14Å; S585-I589 WeakPolarHBondContact O-CD1 3.18Å; S585-I589 PolarHBondContact O-N 3.03Å; S585-Y626 WeakPolarHBondContact CB-OH 3.12Å; S585-Y626 PolarHBondContact OG-OH 2.8Å
586	V	98.3	Very high	97.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-55.6	-44.9	176.2	177.9	0	0	0	0	110.8	K583 T584 I590 L622 F702 L714	K583-V586 PolarHBondContact O-N 3.48Å; T584-V586 VanDerWaalsContact C-N 3.28Å; T584-V586 PolarHBondContact O-N 3.39Å; V586-I590 HydrophobicContact CG1-CD1 4.25Å; V586-I590 WeakPolarHBondContact O-CD1 3.3Å; V586-I590 WeakPolarHBondContact O-CG1 3.41Å; V586-I590 PolarHBondContact O-N 3.45Å; V586-L622 HydrophobicContact CG2-CD1 4.22Å; V586-L622 HydrophobicContact CG2-CD2 3.74Å; V586-F702 HydrophobicContact CG1-CD1 4.05Å; V586-L714 HydrophobicContact CG2-CD1 4.43Å; V586-L714 HydrophobicContact CG2-CD2 4.41Å
587	V	97.4	Very high	98	Very high	12 Å²	12	15.9 Å²	15.9	7%	0.073	8%	0.084	C	C	.	.	H	α-helix	trans	-66.8	-44.2	179.1	169.6	0	0	0	0	111.3	F220 T584 S585 I590 N591 N699	F220-V587 HydrophobicContact CB-CB 4.2Å; F220-V587 HydrophobicContact CB-CG1 3.48Å; F220-V587 VanDerWaalsContact CB-CG1 3.48Å; F220-V587 HydrophobicContact CB-CG2 3.61Å; F220-V587 HydrophobicContact CD1-CG2 4.1Å; F220-V587 HydrophobicContact CD2-CG1 3.65Å; F220-V587 HydrophobicContact CE2-CG1 4.49Å; F220-V587 HydrophobicContact CG-CB 4.34Å; F220-V587 HydrophobicContact CG-CG1 3.66Å; F220-V587 HydrophobicContact CG-CG2 3.91Å; T584-V587 WeakPolarHBondContact O-CB 3.35Å; T584-V587 PolarHBondContact O-N 3.1Å; S585-V587 VanDerWaalsContact C-N 3.26Å; S585-V587 PolarHBondContact O-N 2.95Å; V587-I590 PolarHBondContact O-N 3.2Å; V587-N591 PolarHBondContact O-N 3.48Å; V587-N591 PolarHBondContact O-ND2 3.44Å; V587-N699 HydrophobicContact CG2-CB 4.45Å
588	Q	97.9	Very high	98	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.019	8%	0.079	C	C	.	.	H	α-helix	trans	-65.6	-41.7	-179.9	-65.1	-55.4	-13.2	0	0	112.1	I216 T572 T584 S585 I590 N591 F592	I216-Q588 VanDerWaalsContact C-NE2 3.35Å; I216-Q588 PolarHBondContact O-NE2 3.48Å; T572-Q588 HydrophobicContact CG2-CB 3.56Å; T572-Q588 HydrophobicContact CG2-CG 4.2Å; T584-Q588 HydrophobicContact CG2-CG 4.25Å; T584-Q588 PolarHBondContact O-N 3.5Å; S585-Q588 PolarHBondContact O-N 2.97Å; S585-Q588 VanDerWaalsContact O-N 3.14Å; Q588-I590 VanDerWaalsContact C-N 3.27Å; Q588-I590 PolarHBondContact O-N 2.81Å; Q588-N591 PolarHBondContact O-N 2.91Å; Q588-N591 VanDerWaalsContact O-N 3.14Å; Q588-F592 WeakPolarHBondContact O-CD2 3.34Å; Q588-F592 PolarHBondContact O-N 2.9Å
589	I	98.4	Very high	98	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-58.4	-41.8	176.3	-84.2	74.7	0	0	0	110.7	T572 S585 N593 V600 A602 Y626 A682	T572-I589 HydrophobicContact CG2-CD1 4.48Å; S585-I589 WeakPolarHBondContact O-CD1 3.18Å; S585-I589 PolarHBondContact O-N 3.03Å; I589-N593 PolarHBondContact O-N 2.67Å; I589-N593 PolarHBondContact O-ND2 2.78Å; I589-V600 HydrophobicContact CB-CG1 4.5Å; I589-V600 HydrophobicContact CG1-CG1 4.29Å; I589-V600 HydrophobicContact CG2-CG1 4.48Å; I589-A602 HydrophobicContact CD1-CB 4.47Å; I589-Y626 HydrophobicContact CD1-CD1 3.97Å; I589-Y626 HydrophobicContact CD1-CE1 3.92Å; I589-Y626 HydrophobicContact CD1-CG 4.31Å; I589-Y626 HydrophobicContact CG1-CD1 3.78Å; I589-Y626 HydrophobicContact CG1-CE1 4.17Å; I589-Y626 HydrophobicContact CG1-CG 4.2Å; I589-A682 HydrophobicContact CG2-CB 3.65Å
590	I	98.2	Very high	98.1	Very high	1 Å²	1	12 Å²	12	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-66	-45.3	175.8	-64.8	164.5	0	0	0	111.3	F220 V586 V587 Q588 N593 M594 A684 F687 F702	F220-I590 HydrophobicContact CE1-CD1 4.32Å; F220-I590 HydrophobicContact CE2-CG2 4.29Å; F220-I590 HydrophobicContact CZ-CB 4.45Å; F220-I590 HydrophobicContact CZ-CD1 4.4Å; F220-I590 HydrophobicContact CZ-CG2 3.79Å; V586-I590 HydrophobicContact CG1-CD1 4.25Å; V586-I590 WeakPolarHBondContact O-CD1 3.3Å; V586-I590 WeakPolarHBondContact O-CG1 3.41Å; V586-I590 PolarHBondContact O-N 3.45Å; V587-I590 PolarHBondContact O-N 3.2Å; Q588-I590 VanDerWaalsContact C-N 3.27Å; Q588-I590 PolarHBondContact O-N 2.81Å; I590-N593 PolarHBondContact O-N 2.9Å; I590-M594 PolarHBondContact O-N 3.47Å; I590-A684 HydrophobicContact CD1-CB 4.38Å; I590-A684 HydrophobicContact CG2-CB 4.01Å; I590-F687 HydrophobicContact CG2-CE2 3.96Å; I590-F687 HydrophobicContact CG2-CZ 4.38Å; I590-F702 HydrophobicContact CD1-CB 4.04Å; I590-F702 HydrophobicContact CG1-CB 4.16Å
591	N	97.9	Very high	98.2	Very high	2 Å²	2	7.1 Å²	7.1	1%	0.011	4%	0.038	C	C	.	.	H	α-helix	trans	-60.8	-46.5	-179.4	-78	-25.4	0	0	0	111.7	F220 V587 Q588 N593 M594 F595	F220-N591 WeakPolarHBondContact CE2-OD1 3.36Å; V587-N591 PolarHBondContact O-N 3.48Å; V587-N591 PolarHBondContact O-ND2 3.44Å; Q588-N591 PolarHBondContact O-N 2.91Å; Q588-N591 VanDerWaalsContact O-N 3.14Å; N591-N593 VanDerWaalsContact C-N 3.33Å; N591-N593 PolarHBondContact O-N 2.88Å; N591-M594 CarbonylContact O-C 3.54Å; N591-M594 WeakPolarHBondContact O-CA 3.39Å; N591-M594 VanDerWaalsContact O-CB 3.26Å; N591-M594 WeakPolarHBondContact O-CB 3.49Å; N591-M594 PolarHBondContact O-N 3.32Å; N591-F595 HydrophobicContact CB-CD2 4.38Å; N591-F595 HydrophobicContact CB-CE2 3.71Å; N591-F595 HydrophobicContact CB-CZ 3.95Å; N591-F595 VanDerWaalsContact O-CD2 3.23Å; N591-F595 WeakPolarHBondContact O-CD2 3.46Å; N591-F595 WeakPolarHBondContact O-CG 3.28Å; N591-F595 PolarHBondContact O-N 3.48Å
592	F	98.7	Very high	98.2	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-67.9	-31.9	179.4	-86.5	-81.7	0	0	0	113.2	E215 H249 H570 Q588 M594 F595 G596 I597 V600	E215-F592 HydrophobicContact CB-CE2 4.47Å; E215-F592 HydrophobicContact CB-CZ 4.1Å; E215-F592 HydrophobicContact CG-CE2 3.83Å; E215-F592 HydrophobicContact CG-CZ 3.8Å; H249-F592 AromaticContact NE2-CE1 3.66Å; H570-F592 HydrophobicContact CB-CD1 4.43Å; H570-F592 HydrophobicContact CB-CE1 4.43Å; H570-F592 AromaticContact CD2-CD1 3.52Å; H570-F592 AromaticContact CD2-CD2 3.84Å; H570-F592 AromaticContact CD2-CE1 3.17Å; H570-F592 WeakPolarHBondContact CD2-CE1 3.14Å; H570-F592 AromaticContact CD2-CE2 3.51Å; H570-F592 AromaticContact CD2-CG 3.85Å; H570-F592 AromaticContact CD2-CZ 3.18Å; H570-F592 WeakPolarHBondContact CD2-CZ 3.26Å; H570-F592 AromaticContact CE1-CZ 3.76Å; H570-F592 AromaticContact CG-CE1 3.72Å; H570-F592 AromaticContact NE2-CE1 3.45Å; H570-F592 WeakPolarHBondContact NE2-CE1 3.25Å; H570-F592 AromaticContact NE2-CE2 3.35Å; H570-F592 WeakPolarHBondContact NE2-CE2 3.35Å; H570-F592 AromaticContact NE2-CZ 2.96Å; H570-F592 WeakPolarHBondContact NE2-CZ 3.49Å; Q588-F592 WeakPolarHBondContact O-CD2 3.34Å; Q588-F592 PolarHBondContact O-N 2.9Å; F592-M594 VanDerWaalsContact C-N 3.25Å; F592-M594 PolarHBondContact O-N 2.04Å; F592-F595 HydrophobicContact CD1-CD2 4.17Å; F592-F595 HydrophobicContact CE1-CD2 4.41Å; F592-F595 HydrophobicContact CG-CD2 4.26Å; F592-F595 PolarHBondContact O-N 3.31Å; F592-F595 VanDerWaalsContact O-N 3.15Å; F592-G596 PolarHBondContact O-N 3.38Å; F592-I597 CarbonylContact C-O 3.59Å; F592-I597 HydrophobicContact CD1-CB 4.12Å; F592-I597 HydrophobicContact CD1-CD1 3.95Å; F592-I597 HydrophobicContact CD1-CG1 4.45Å; F592-I597 HydrophobicContact CE1-CD1 4.13Å; F592-I597 CarbonylContact O-C 3.57Å; F592-I597 PolarHBondContact O-N 3.17Å; F592-V600 HydrophobicContact CB-CB 3.91Å; F592-V600 HydrophobicContact CB-CG1 3.76Å; F592-V600 HydrophobicContact CB-CG2 3.73Å; F592-V600 HydrophobicContact CD2-CG2 4.12Å; F592-V600 HydrophobicContact CG-CG2 3.91Å
593	N	98.6	Very high	98.3	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.005	4%	0.036	C	C	.	.	H	α-helix	trans	-64.1	-29.9	166.9	-88.3	-96.2	0	0	0	112.5	Y309 I589 I590 N591 P598 T680 V681 A682	Y309-N593 PolarHBondContact OH-O 3.03Å; I589-N593 PolarHBondContact O-N 2.67Å; I589-N593 PolarHBondContact O-ND2 2.78Å; I590-N593 PolarHBondContact O-N 2.9Å; N591-N593 VanDerWaalsContact C-N 3.33Å; N591-N593 PolarHBondContact O-N 2.88Å; N593-P598 WeakPolarHBondContact OD1-CB 3.42Å; N593-T680 HydrophobicContact CB-CG2 4.2Å; N593-T680 WeakPolarHBondContact O-CG2 3.46Å; N593-V681 WeakPolarHBondContact OD1-CA 3.24Å; N593-V681 PolarHBondContact OD1-N 3.2Å; N593-A682 WeakPolarHBondContact CB-O 3.41Å; N593-A682 PolarHBondContact OD1-N 3.3Å; N593-A682 PolarHBondContact OD1-O 2.95Å
594	M	98.2	Very high	98.3	Very high	1 Å²	1	3.9 Å²	3.9	1%	0.005	2%	0.023	C	C	.	.	H	α-helix	trans	-76.9	-29.8	172.2	-174.1	-173.6	63.5	0	0	111.8	F211 F251 M253 I305 I590 N591 F592 G596 F687	F211-M594 HydrophobicContact CB-CE 4.15Å; F211-M594 HydrophobicContact CB-SD 3.64Å; F251-M594 HydrophobicContact CD1-CE 4.05Å; F251-M594 HydrophobicContact CD1-CG 3.99Å; F251-M594 HydrophobicContact CD1-SD 4.1Å; F251-M594 HydrophobicContact CE1-CE 4.42Å; F251-M594 HydrophobicContact CE1-CG 3.7Å; F251-M594 HydrophobicContact CE1-SD 3.86Å; M253-M594 HydrophobicContact CB-SD 4.29Å; M253-M594 HydrophobicContact CE-SD 4.06Å; I305-M594 HydrophobicContact CD1-CB 4.36Å; I305-M594 HydrophobicContact CD1-CG 3.97Å; I305-M594 HydrophobicContact CG1-CG 3.96Å; I590-M594 PolarHBondContact O-N 3.47Å; N591-M594 CarbonylContact O-C 3.54Å; N591-M594 WeakPolarHBondContact O-CA 3.39Å; N591-M594 VanDerWaalsContact O-CB 3.26Å; N591-M594 WeakPolarHBondContact O-CB 3.49Å; N591-M594 PolarHBondContact O-N 3.32Å; F592-M594 VanDerWaalsContact C-N 3.25Å; F592-M594 PolarHBondContact O-N 2.04Å; M594-G596 VanDerWaalsContact C-N 3.33Å; M594-G596 PolarHBondContact O-N 2.53Å; M594-F687 HydrophobicContact SD-CZ 4.43Å
595	F	98.4	Very high	98.4	Very high	1 Å²	1	2.3 Å²	2.3	0%	0.004	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-1.9	-176.2	-59.7	-31.7	0	0	0	115.5	H249 I312 N591 F592	H249-F595 HydrophobicContact CB-CB 4.41Å; H249-F595 HydrophobicContact CB-CD1 3.8Å; H249-F595 HydrophobicContact CB-CD2 3.8Å; H249-F595 HydrophobicContact CB-CE1 3.91Å; H249-F595 HydrophobicContact CB-CE2 3.93Å; H249-F595 HydrophobicContact CB-CG 3.76Å; H249-F595 HydrophobicContact CB-CZ 4Å; H249-F595 AromaticContact CD2-CD2 3.79Å; H249-F595 AromaticContact CG-CD2 3.64Å; H249-F595 AromaticContact CG-CG 3.74Å; H249-F595 AromaticContact ND1-CG 3.98Å; I312-F595 WeakPolarHBondContact CD1-O 3.23Å; N591-F595 HydrophobicContact CB-CD2 4.38Å; N591-F595 HydrophobicContact CB-CE2 3.71Å; N591-F595 HydrophobicContact CB-CZ 3.95Å; N591-F595 VanDerWaalsContact O-CD2 3.23Å; N591-F595 WeakPolarHBondContact O-CD2 3.46Å; N591-F595 WeakPolarHBondContact O-CG 3.28Å; N591-F595 PolarHBondContact O-N 3.48Å; F592-F595 HydrophobicContact CD1-CD2 4.17Å; F592-F595 HydrophobicContact CE1-CD2 4.41Å; F592-F595 HydrophobicContact CG-CD2 4.26Å; F592-F595 PolarHBondContact O-N 3.31Å; F592-F595 VanDerWaalsContact O-N 3.15Å
596	G	98.3	Very high	98.4	Very high	2 Å²	2	2.2 Å²	2.2	2%	0.021	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.8	2.9	-176.5	0	0	0	0	0	114.9	Y309 G565 F592 M594 P598	Y309-G596 VanDerWaalsContact OH-CA 3.23Å; Y309-G596 WeakPolarHBondContact OH-CA 3.26Å; Y309-G596 PolarHBondContact OH-N 2.98Å; G565-G596 WeakPolarHBondContact CA-O 3.41Å; F592-G596 PolarHBondContact O-N 3.38Å; M594-G596 VanDerWaalsContact C-N 3.33Å; M594-G596 PolarHBondContact O-N 2.53Å; G596-P598 VanDerWaalsContact C-CD 3.43Å; G596-P598 VanDerWaalsContact O-CD 3.28Å; G596-P598 WeakPolarHBondContact O-CD 3.41Å
597	I	98.7	Very high	98.5	Very high	3 Å²	3	3 Å²	3	2%	0.015	2%	0.016	C	C	.	.			trans	-123.4	70.6	-171.8	-46.4	176.6	0	0	0	109	H570 F592 M599	H570-I597 HydrophobicContact CB-CG2 3.79Å; F592-I597 CarbonylContact C-O 3.59Å; F592-I597 HydrophobicContact CD1-CB 4.12Å; F592-I597 HydrophobicContact CD1-CD1 3.95Å; F592-I597 HydrophobicContact CD1-CG1 4.45Å; F592-I597 HydrophobicContact CE1-CD1 4.13Å; F592-I597 CarbonylContact O-C 3.57Å; F592-I597 PolarHBondContact O-N 3.17Å; I597-M599 PolarHBondContact O-N 3.41Å
598	P	98.6	Very high	98.5	Very high	3 Å²	3	4.2 Å²	4.2	2%	0.019	2%	0.023	C	C	.	.			trans	-67.9	-24.8	-175.8	27.6	-35.5	0	0	0	113	P315 N593 G596 V600 P627 F671 V681	P315-P598 HydrophobicContact CB-CG 3.94Å; P315-P598 HydrophobicContact CG-CG 3.56Å; N593-P598 WeakPolarHBondContact OD1-CB 3.42Å; G596-P598 VanDerWaalsContact C-CD 3.43Å; G596-P598 VanDerWaalsContact O-CD 3.28Å; G596-P598 WeakPolarHBondContact O-CD 3.41Å; P598-V600 VanDerWaalsContact C-N 3.29Å; P598-V600 PolarHBondContact O-N 2.56Å; P598-P627 WeakPolarHBondContact O-CB 3.29Å; P598-P627 WeakPolarHBondContact O-CG 3.28Å; P598-F671 HydrophobicContact CB-CE1 3.96Å; P598-F671 HydrophobicContact CG-CD1 4.19Å; P598-F671 HydrophobicContact CG-CE1 3.87Å; P598-V681 HydrophobicContact CB-CB 4.19Å; P598-V681 HydrophobicContact CB-CG2 3.72Å
599	M	98.7	Very high	98.4	Very high	12 Å²	12	5.7 Å²	5.7	6%	0.059	4%	0.04	C	C	.	.	S	Bend	trans	-80.2	78.4	174.9	-166.9	61.5	178.5	0	0	109.9	S322 L323 F554 A569 H570 I597 F628 F671	S322-M599 WeakPolarHBondContact O-CE 3.04Å; L323-M599 HydrophobicContact CD2-CE 4.09Å; L323-M599 HydrophobicContact CD2-SD 3.94Å; F554-M599 HydrophobicContact CE2-CE 4.3Å; A569-M599 WeakPolarHBondContact CA-O 3.43Å; A569-M599 HydrophobicContact CB-CB 3.82Å; A569-M599 HydrophobicContact CB-CG 3.48Å; A569-M599 VanDerWaalsContact CB-CG 3.48Å; A569-M599 VanDerWaalsContact CB-O 3.31Å; A569-M599 WeakPolarHBondContact CB-O 2.93Å; H570-M599 PolarHBondContact N-O 3.36Å; I597-M599 PolarHBondContact O-N 3.41Å; M599-F628 HydrophobicContact CE-CB 3.88Å; M599-F628 HydrophobicContact CE-CD2 3.88Å; M599-F628 HydrophobicContact CE-CG 4.35Å; M599-F628 HydrophobicContact CG-CB 4.32Å; M599-F628 HydrophobicContact SD-CB 4.13Å; M599-F671 HydrophobicContact CB-CE1 3.82Å; M599-F671 HydrophobicContact CB-CZ 4.02Å; M599-F671 HydrophobicContact CG-CZ 4.38Å; M599-F671 HydrophobicContact SD-CE1 4.11Å; M599-F671 HydrophobicContact SD-CE2 4.18Å; M599-F671 HydrophobicContact SD-CZ 3.47Å; M599-F671 WeakPolarHBondContact SD-CZ 3.22Å
600	V	98.9	Very high	98.4	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	149	-174.9	63	0	0	0	0	112.5	H570 T572 I589 F592 P598 P627 F628	H570-V600 VanDerWaalsContact O-CA 3.28Å; H570-V600 WeakPolarHBondContact O-CA 3.05Å; T572-V600 HydrophobicContact CG2-CG2 4.47Å; I589-V600 HydrophobicContact CB-CG1 4.5Å; I589-V600 HydrophobicContact CG1-CG1 4.29Å; I589-V600 HydrophobicContact CG2-CG1 4.48Å; F592-V600 HydrophobicContact CB-CB 3.91Å; F592-V600 HydrophobicContact CB-CG1 3.76Å; F592-V600 HydrophobicContact CB-CG2 3.73Å; F592-V600 HydrophobicContact CD2-CG2 4.12Å; F592-V600 HydrophobicContact CG-CG2 3.91Å; P598-V600 VanDerWaalsContact C-N 3.29Å; P598-V600 PolarHBondContact O-N 2.56Å; V600-P627 VanDerWaalsContact O-CD 3.31Å; V600-P627 WeakPolarHBondContact O-CD 3.45Å; V600-F628 PolarHBondContact O-N 3.4Å
601	G	98.8	Very high	98.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	168.9	175	0	0	0	0	0	112.6	H570 W571 T572 F628	H570-G601 PolarHBondContact O-N 3.06Å; W571-G601 WeakPolarHBondContact CA-O 3.5Å; W571-G601 WeakPolarHBondContact CB-O 3.34Å; T572-G601 PolarHBondContact N-O 2.73Å; T572-G601 VanDerWaalsContact N-O 3.09Å; G601-F628 WeakPolarHBondContact CA-O 3.37Å
602	A	98.7	Very high	98.4	Very high	2 Å²	2	13.7 Å²	13.7	2%	0.017	9%	0.085	C	C	.	.			trans	-107.2	156.8	168.3	0	0	0	0	0	109.7	T572 I589 I604 Y626	T572-A602 WeakPolarHBondContact OG1-CA 3.37Å; T572-A602 VanDerWaalsContact OG1-CB 3.28Å; T572-A602 WeakPolarHBondContact OG1-CB 3.3Å; I589-A602 HydrophobicContact CD1-CB 4.47Å; A602-I604 PolarHBondContact O-N 3.35Å; A602-I604 VanDerWaalsContact O-N 3.1Å; A602-Y626 HydrophobicContact CB-CE2 3.91Å
603	D	98.7	Very high	98.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.102	C	C	.	.			trans	-64.8	112.8	175.9	-70.8	-30	0	0	0	110.3	V575 C605 G606 F607 R630 H632	V575-D603 HydrophobicContact CG2-CB 4.3Å; D603-C605 PolarHBondContact O-N 2.71Å; D603-G606 WeakPolarHBondContact O-CA 2.97Å; D603-G606 PolarHBondContact O-N 3.23Å; D603-F607 HydrophobicContact CB-CB 4.23Å; D603-R630 IonicContact OD1-CZ 3.59Å; D603-R630 IonicContact OD1-NE 2.78Å; D603-R630 PolarHBondContact OD1-NE 2.73Å; D603-R630 VanDerWaalsContact OD1-NE 3.09Å; D603-R630 IonicContact OD1-NH2 3.88Å; D603-R630 PolarHBondContact OD1-NH2 2.9Å; D603-R630 IonicContact OD2-NH2 3.34Å; D603-R630 PolarHBondContact OD2-NH2 3.33Å; D603-H632 HydrophobicContact CB-CB 4.17Å; D603-H632 WeakPolarHBondContact OD1-CB 3.46Å; D603-H632 IonicContact OD2-CD2 3.3Å; D603-H632 PolarHBondContact OD2-CD2 2.93Å
604	I	98.9	Very high	98.4	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-67	131.6	-172.8	-65.5	170.1	0	0	0	109.4	F325 A602 W619 Y626 A629 R630 N631 Q640	F325-I604 HydrophobicContact CD2-CD1 4.49Å; F325-I604 HydrophobicContact CE2-CD1 3.95Å; A602-I604 PolarHBondContact O-N 3.35Å; A602-I604 VanDerWaalsContact O-N 3.1Å; I604-W619 HydrophobicContact CG2-CB 4.45Å; I604-Y626 HydrophobicContact CG1-CD2 4.46Å; I604-Y626 HydrophobicContact CG1-CE2 4.39Å; I604-A629 HydrophobicContact CD1-CB 4.12Å; I604-R630 WeakPolarHBondContact CB-O 3.47Å; I604-R630 WeakPolarHBondContact CG1-O 3.42Å; I604-R630 PolarHBondContact N-O 2.98Å; I604-N631 HydrophobicContact CB-CB 4.29Å; I604-Q640 PolarHBondContact O-NE2 3.37Å
605	C	98.7	Very high	98.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	-3.2	-169.9	-46.8	0	0	0	0	115.1	S577 D603 T611 C616 W619 Q640	S577-C605 PolarHBondContact OG-O 3.28Å; D603-C605 PolarHBondContact O-N 2.71Å; C605-T611 HydrophobicContact CB-CG2 4.11Å; C605-T611 VanDerWaalsContact O-CB 3.3Å; C605-T611 WeakPolarHBondContact O-CB 3.38Å; C605-T611 PolarHBondContact O-OG1 3.39Å; C605-C616 HydrophobicContact CB-CB 3.72Å; C605-C616 WeakPolarHBondContact CB-SG 3.38Å; C605-C616 WeakPolarHBondContact SG-CA 2.71Å; C605-C616 WeakPolarHBondContact SG-CB 3.45Å; C605-C616 PolarHBondContact SG-O 2.96Å; C605-C616 CovalentContact SG-SG 2.04Å; C605-C616 PolarHBondContact SG-SG 2.75Å; C605-W619 VanDerWaalsContact C-CE3 3.4Å; C605-W619 VanDerWaalsContact N-CG 3.28Å; C605-Q640 HydrophobicContact CB-CG 4.46Å
606	G	98.5	Very high	98.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.112	C	C	.	.			trans	88.9	155.1	-176.8	0	0	0	0	0	112.5	S577 D603 Q640	S577-G606 VanDerWaalsContact OG-C 3.31Å; D603-G606 WeakPolarHBondContact O-CA 2.97Å; D603-G606 PolarHBondContact O-N 3.23Å; G606-Q640 PolarHBondContact O-NE2 3.27Å
607	F	98.5	Very high	98.4	Very high	18 Å²	18	19.4 Å²	19.4	8%	0.079	11%	0.112	C	C	.	.	S	Bend	trans	-98.3	-55.2	-179.2	173	-106.5	0	0	0	111.1	D574 V575 D603 H632 N633 A634	D574-F607 HydrophobicContact CB-CD1 3.58Å; D574-F607 HydrophobicContact CB-CE1 3.85Å; D574-F607 VanDerWaalsContact CG-CE1 3.48Å; V575-F607 PolarHBondContact O-N 3.32Å; D603-F607 HydrophobicContact CB-CB 4.23Å; F607-H632 AromaticContact CD2-CD2 3.43Å; F607-H632 VanDerWaalsContact CD2-CD2 3.43Å; F607-H632 WeakPolarHBondContact CD2-CD2 3.04Å; F607-H632 AromaticContact CD2-NE2 3.59Å; F607-H632 AromaticContact CE2-CD2 3.63Å; F607-H632 AromaticContact CE2-CE1 3.96Å; F607-H632 AromaticContact CE2-NE2 3.24Å; F607-H632 WeakPolarHBondContact CE2-NE2 3.5Å; F607-N633 VanDerWaalsContact CD2-C 3.49Å; F607-A634 HydrophobicContact CD1-CB 4.13Å; F607-A634 HydrophobicContact CD2-CB 4.07Å; F607-A634 HydrophobicContact CE1-CB 3.89Å; F607-A634 VanDerWaalsContact CE2-CA 3.46Å; F607-A634 HydrophobicContact CE2-CB 3.81Å; F607-A634 HydrophobicContact CG-CB 4.24Å; F607-A634 HydrophobicContact CZ-CB 3.73Å; F607-A634 WeakPolarHBondContact O-CB 3.46Å; F607-A634 PolarHBondContact O-N 3.48Å
608	T	97.5	Very high	98.4	Very high	36 Å²	36	19.4 Å²	19.4	22%	0.221	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-88.2	119.9	-173.5	-62.2	0	0	0	0	111.6	I238 D574 V575 L576 S577	I238-T608 HydrophobicContact CD1-CG2 4.1Å; D574-T608 PolarHBondContact O-OG1 2.93Å; V575-T608 PolarHBondContact O-N 2.77Å; L576-T608 HydrophobicContact CD2-CG2 3.73Å; S577-T608 PolarHBondContact N-O 2.83Å; S577-T608 PolarHBondContact OG-O 3.41Å
609	G	97	Very high	98.4	Very high	35 Å²	35	19.3 Å²	19.3	36%	0.361	11%	0.111	S	C	.	.	S	Bend	trans	90	172.4	177.9	0	0	0	0	0	113.5	S577 T611	S577-G609 WeakPolarHBondContact CB-O 3.35Å; S577-G609 PolarHBondContact OG-O 2.92Å; G609-T611 PolarHBondContact O-N 3.19Å
610	N	98.3	Very high	98.4	Very high	92 Å²	92	18.9 Å²	18.9	49%	0.492	11%	0.109	S	C	.	.	P	Polyproline II helix	trans	-81	119	-177.1	-67.1	-46.1	0	0	0	111.2	S637 N638	N610-S637 WeakPolarHBondContact OD1-CA 3.39Å; N610-N638 PolarHBondContact OD1-N 3.46Å
611	T	98.4	Very high	98.4	Very high	17 Å²	17	19.1 Å²	19.1	10%	0.104	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-66.1	160.6	167.1	-171.4	0	0	0	0	111.6	C605 G609 C616 Q640 W645	C605-T611 HydrophobicContact CB-CG2 4.11Å; C605-T611 VanDerWaalsContact O-CB 3.3Å; C605-T611 WeakPolarHBondContact O-CB 3.38Å; C605-T611 PolarHBondContact O-OG1 3.39Å; G609-T611 PolarHBondContact O-N 3.19Å; T611-C616 HydrophobicContact CG2-CB 4.14Å; T611-Q640 HydrophobicContact CG2-CB 3.75Å; T611-W645 HydrophobicContact CG2-CH2 3.91Å; T611-W645 HydrophobicContact CG2-CZ2 3.61Å
612	T	98	Very high	98.4	Very high	63 Å²	63	19.1 Å²	19.1	39%	0.387	11%	0.11	S	C	.	.	P	Polyproline II helix	trans	-97.4	164.1	164.5	68.7	0	0	0	0	110.6	L615 C616	T612-L615 PolarHBondContact O-N 3.4Å; T612-L615 VanDerWaalsContact OG1-CB 3.26Å; T612-L615 WeakPolarHBondContact OG1-CB 3.31Å; T612-L615 PolarHBondContact OG1-N 3.19Å; T612-C616 WeakPolarHBondContact O-CB 3.46Å; T612-C616 PolarHBondContact O-N 2.83Å
613	E	97.7	Very high	98.4	Very high	73 Å²	73	19 Å²	19	34%	0.341	11%	0.11	S	C	.	.	H	α-helix	trans	-61	-46.7	176.4	-172.8	167.8	-168.2	0	0	111.3	C616 I617 W645 S646 T649	E613-C616 PolarHBondContact O-N 2.03Å; E613-I617 HydrophobicContact CG-CD1 4.42Å; E613-I617 WeakPolarHBondContact O-CG1 3.4Å; E613-I617 PolarHBondContact O-N 3.13Å; E613-W645 HydrophobicContact CB-CE3 3.93Å; E613-W645 HydrophobicContact CB-CZ3 3.94Å; E613-W645 HydrophobicContact CG-CD2 4.46Å; E613-W645 HydrophobicContact CG-CE3 3.97Å; E613-W645 HydrophobicContact CG-CZ3 4.49Å; E613-S646 WeakPolarHBondContact OE1-CB 3.39Å; E613-S646 PolarHBondContact OE1-OG 2.97Å; E613-T649 VanDerWaalsContact CD-OG1 3.23Å; E613-T649 HydrophobicContact CG-CG2 3.94Å; E613-T649 WeakPolarHBondContact CG-OG1 3.35Å; E613-T649 VanDerWaalsContact OE1-CB 3.3Å; E613-T649 WeakPolarHBondContact OE1-CB 3.41Å; E613-T649 PolarHBondContact OE1-OG1 2.87Å
614	E	98.3	Very high	98.4	Very high	47 Å²	47	19.2 Å²	19.2	22%	0.22	11%	0.111	C	C	.	.	H	α-helix	trans	-60.7	-48.7	177.3	-172.3	-176.3	172.8	0	0	112	W579 C616 I617 R618 G717 L752	W579-E614 HydrophobicContact CH2-CG 4Å; W579-E614 HydrophobicContact CZ2-CB 4.39Å; W579-E614 HydrophobicContact CZ2-CG 3.9Å; E614-C616 VanDerWaalsContact C-N 3.29Å; E614-C616 PolarHBondContact O-N 2.01Å; E614-I617 PolarHBondContact O-N 3.29Å; E614-R618 WeakPolarHBondContact O-CG 3.34Å; E614-R618 PolarHBondContact O-N 3.3Å; E614-G717 WeakPolarHBondContact OE1-CA 3.34Å; E614-G717 PolarHBondContact OE1-N 3.32Å; E614-G717 PolarHBondContact OE2-N 2.96Å; E614-L752 HydrophobicContact CG-CD1 3.77Å
615	L	98.6	Very high	98.4	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-59.2	-43.6	178.9	177.8	62.9	0	0	0	110.6	S577 W579 L582 T612 I617 R618 W619	S577-L615 VanDerWaalsContact C-CD2 3.48Å; S577-L615 WeakPolarHBondContact O-CD2 3.27Å; W579-L615 HydrophobicContact CD2-CD1 3.79Å; W579-L615 HydrophobicContact CE3-CD1 4.03Å; W579-L615 HydrophobicContact CG-CD1 4.15Å; W579-L615 HydrophobicContact CZ2-CB 4.25Å; W579-L615 HydrophobicContact CZ2-CD1 4.41Å; W579-L615 HydrophobicContact CZ3-CD1 4.48Å; L582-L615 HydrophobicContact CB-CD1 4.3Å; L582-L615 HydrophobicContact CD2-CD1 4.1Å; T612-L615 PolarHBondContact O-N 3.4Å; T612-L615 VanDerWaalsContact OG1-CB 3.26Å; T612-L615 WeakPolarHBondContact OG1-CB 3.31Å; T612-L615 PolarHBondContact OG1-N 3.19Å; L615-I617 PolarHBondContact O-N 3.49Å; L615-R618 PolarHBondContact O-N 3Å; L615-W619 HydrophobicContact CD1-CE3 3.91Å; L615-W619 HydrophobicContact CD1-CZ3 4.42Å; L615-W619 HydrophobicContact CD2-CE3 4.29Å; L615-W619 HydrophobicContact CD2-CZ3 4.35Å; L615-W619 HydrophobicContact CG-CE3 4.02Å; L615-W619 VanDerWaalsContact O-CB 3.3Å; L615-W619 WeakPolarHBondContact O-CB 3.34Å; L615-W619 PolarHBondContact O-N 2.9Å
616	C	98.6	Very high	98.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-68.7	-33.3	-178.1	-165.2	0	0	0	0	112.5	C605 T611 T612 E613 E614 S620 W645	C605-C616 HydrophobicContact CB-CB 3.72Å; C605-C616 WeakPolarHBondContact CB-SG 3.38Å; C605-C616 WeakPolarHBondContact SG-CA 2.71Å; C605-C616 WeakPolarHBondContact SG-CB 3.45Å; C605-C616 PolarHBondContact SG-O 2.96Å; C605-C616 CovalentContact SG-SG 2.04Å; C605-C616 PolarHBondContact SG-SG 2.75Å; T611-C616 HydrophobicContact CG2-CB 4.14Å; T612-C616 WeakPolarHBondContact O-CB 3.46Å; T612-C616 PolarHBondContact O-N 2.83Å; E613-C616 PolarHBondContact O-N 2.03Å; E614-C616 VanDerWaalsContact C-N 3.29Å; E614-C616 PolarHBondContact O-N 2.01Å; C616-S620 WeakPolarHBondContact O-CB 3.39Å; C616-S620 PolarHBondContact O-N 2.91Å; C616-S620 PolarHBondContact O-OG 2.68Å; C616-W645 HydrophobicContact CB-CZ2 4.09Å
617	I	98.5	Very high	98.4	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.015	11%	0.111	C	C	.	.	H	α-helix	trans	-62.7	-52.3	170.1	-65.2	162.4	0	0	0	110.7	E613 E614 L615 W619 S620 Q621 T649 A652 I653 L752	E613-I617 HydrophobicContact CG-CD1 4.42Å; E613-I617 WeakPolarHBondContact O-CG1 3.4Å; E613-I617 PolarHBondContact O-N 3.13Å; E614-I617 PolarHBondContact O-N 3.29Å; L615-I617 PolarHBondContact O-N 3.49Å; I617-W619 VanDerWaalsContact C-N 3.35Å; I617-W619 PolarHBondContact O-N 3.3Å; I617-S620 PolarHBondContact O-N 3.46Å; I617-Q621 WeakPolarHBondContact O-CB 3.26Å; I617-Q621 WeakPolarHBondContact O-CG 3.44Å; I617-Q621 PolarHBondContact O-N 2.65Å; I617-T649 HydrophobicContact CD1-CG2 3.99Å; I617-T649 WeakPolarHBondContact CD1-OG1 3.32Å; I617-T649 HydrophobicContact CG1-CG2 3.63Å; I617-A652 HydrophobicContact CG2-CB 4.05Å; I617-I653 HydrophobicContact CG1-CG1 4.43Å; I617-L752 HydrophobicContact CB-CD1 4.14Å; I617-L752 HydrophobicContact CD1-CD1 4Å; I617-L752 HydrophobicContact CD1-CD2 3.66Å; I617-L752 HydrophobicContact CD1-CG 3.72Å; I617-L752 HydrophobicContact CG2-CD1 3.93Å; I617-L752 HydrophobicContact CG2-CG 4.14Å; I617-L752 WeakPolarHBondContact CG2-O 3.4Å
618	R	98.7	Very high	98.4	Very high	3 Å²	3	18.5 Å²	18.5	1%	0.011	11%	0.108	C	C	.	.	H	α-helix	trans	-64.5	-38.9	-177.8	-65.8	-47.3	-167	174.6	3.2	112.3	W579 L582 E614 L615 Q621 L622 V713 R718 A750 P751 L752 V754	W579-R618 HydrophobicContact CH2-CB 4.04Å; W579-R618 HydrophobicContact CH2-CG 3.57Å; W579-R618 HydrophobicContact CZ3-CB 3.95Å; W579-R618 HydrophobicContact CZ3-CG 3.81Å; L582-R618 HydrophobicContact CD2-CB 4.3Å; E614-R618 WeakPolarHBondContact O-CG 3.34Å; E614-R618 PolarHBondContact O-N 3.3Å; L615-R618 PolarHBondContact O-N 3Å; R618-Q621 VanDerWaalsContact CD-OE1 3.23Å; R618-Q621 WeakPolarHBondContact O-CB 3.29Å; R618-Q621 PolarHBondContact O-N 2.89Å; R618-L622 PolarHBondContact O-N 3.28Å; R618-V713 HydrophobicContact CG-CG1 4.49Å; R618-R718 PolarHBondContact NH2-O 3.31Å; R618-A750 PolarHBondContact NH2-O 3.47Å; R618-P751 PolarHBondContact NH1-O 2.84Å; R618-P751 VanDerWaalsContact NH1-O 3.1Å; R618-L752 HydrophobicContact CG-CD1 4.48Å; R618-V754 PolarHBondContact NH1-O 2.85Å; R618-V754 VanDerWaalsContact NH1-O 3.14Å
619	W	98.8	Very high	98.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-70	-37.2	176.1	-148.1	-36.5	0	0	0	111.8	V575 L576 L582 I604 C605 L615 I617 Q621 L622 G623 Y626	V575-W619 HydrophobicContact CG2-CH2 4.15Å; V575-W619 HydrophobicContact CG2-CZ2 4.12Å; L576-W619 WeakPolarHBondContact O-CH2 3.4Å; L582-W619 HydrophobicContact CB-CD2 4.24Å; L582-W619 HydrophobicContact CB-CE3 4.13Å; L582-W619 HydrophobicContact CB-CZ3 4.31Å; L582-W619 HydrophobicContact CD1-CB 3.75Å; L582-W619 HydrophobicContact CD1-CD2 3.6Å; L582-W619 HydrophobicContact CD1-CE3 4.21Å; L582-W619 HydrophobicContact CD1-CG 3.38Å; I604-W619 HydrophobicContact CG2-CB 4.45Å; C605-W619 VanDerWaalsContact C-CE3 3.4Å; C605-W619 VanDerWaalsContact N-CG 3.28Å; L615-W619 HydrophobicContact CD1-CE3 3.91Å; L615-W619 HydrophobicContact CD1-CZ3 4.42Å; L615-W619 HydrophobicContact CD2-CE3 4.29Å; L615-W619 HydrophobicContact CD2-CZ3 4.35Å; L615-W619 HydrophobicContact CG-CE3 4.02Å; L615-W619 VanDerWaalsContact O-CB 3.3Å; L615-W619 WeakPolarHBondContact O-CB 3.34Å; L615-W619 PolarHBondContact O-N 2.9Å; I617-W619 VanDerWaalsContact C-N 3.35Å; I617-W619 PolarHBondContact O-N 3.3Å; W619-Q621 VanDerWaalsContact C-N 3.33Å; W619-L622 PolarHBondContact O-N 2.91Å; W619-G623 WeakPolarHBondContact O-CA 3.39Å; W619-G623 PolarHBondContact O-N 3.36Å; W619-Y626 AromaticContact NE1-CE2 3.98Å; W619-Y626 PolarHBondContact NE1-OH 2.87Å
620	S	98.8	Very high	98.6	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.021	8%	0.08	C	C	.	.	H	α-helix	trans	-66.3	-37.5	174	-63.3	0	0	0	0	112.1	C616 I617 A624	C616-S620 WeakPolarHBondContact O-CB 3.39Å; C616-S620 PolarHBondContact O-N 2.91Å; C616-S620 PolarHBondContact O-OG 2.68Å; I617-S620 PolarHBondContact O-N 3.46Å; S620-A624 WeakPolarHBondContact O-CB 3.33Å; S620-A624 PolarHBondContact O-N 2.93Å
621	Q	98.5	Very high	98.6	Very high	5 Å²	5	11 Å²	11	2%	0.023	6%	0.058	C	C	.	.	H	α-helix	trans	-60.3	-49.6	173.1	-80	171.6	-6.7	0	0	112.4	I617 R618 W619 F625 A656 L752 N753 I755	I617-Q621 WeakPolarHBondContact O-CB 3.26Å; I617-Q621 WeakPolarHBondContact O-CG 3.44Å; I617-Q621 PolarHBondContact O-N 2.65Å; R618-Q621 VanDerWaalsContact CD-OE1 3.23Å; R618-Q621 WeakPolarHBondContact O-CB 3.29Å; R618-Q621 PolarHBondContact O-N 2.89Å; W619-Q621 VanDerWaalsContact C-N 3.33Å; Q621-F625 VanDerWaalsContact O-CD2 3.28Å; Q621-F625 WeakPolarHBondContact O-CD2 3.37Å; Q621-A656 HydrophobicContact CG-CB 4.19Å; Q621-L752 PolarHBondContact NE2-O 3.09Å; Q621-N753 VanDerWaalsContact NE2-C 3.3Å; Q621-I755 HydrophobicContact CB-CB 3.99Å; Q621-I755 HydrophobicContact CB-CD1 4.23Å; Q621-I755 HydrophobicContact CB-CG2 4.14Å; Q621-I755 HydrophobicContact CG-CB 4.29Å; Q621-I755 HydrophobicContact CG-CG2 4.26Å
622	L	98.7	Very high	98.6	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-67.2	-47.2	176.2	172.8	57.6	0	0	0	111.5	L582 V586 R618 W619 A624 F625 Y626 F702 P712 L714	L582-L622 HydrophobicContact CD1-CB 4.4Å; L582-L622 HydrophobicContact CD1-CD2 3.62Å; L582-L622 HydrophobicContact CG-CD2 4.3Å; V586-L622 HydrophobicContact CG2-CD1 4.22Å; V586-L622 HydrophobicContact CG2-CD2 3.74Å; R618-L622 PolarHBondContact O-N 3.28Å; W619-L622 PolarHBondContact O-N 2.91Å; L622-A624 PolarHBondContact O-N 2.8Å; L622-F625 WeakPolarHBondContact O-CB 3.3Å; L622-F625 PolarHBondContact O-N 2.93Å; L622-Y626 HydrophobicContact CD1-CE1 4.01Å; L622-Y626 HydrophobicContact CD2-CE1 4.09Å; L622-Y626 WeakPolarHBondContact CD2-OH 3.48Å; L622-Y626 HydrophobicContact CG-CE1 3.62Å; L622-Y626 WeakPolarHBondContact CG-OH 3.15Å; L622-F702 HydrophobicContact CD1-CE1 3.69Å; L622-F702 HydrophobicContact CD1-CZ 4.34Å; L622-P712 HydrophobicContact CB-CB 4.29Å; L622-P712 HydrophobicContact CD1-CB 4.04Å; L622-P712 HydrophobicContact CD1-CG 4.01Å; L622-L714 HydrophobicContact CD2-CD2 4Å
623	G	98.7	Very high	98.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-64	-24.5	-176	0	0	0	0	0	113.9	W619 F625 Y626	W619-G623 WeakPolarHBondContact O-CA 3.39Å; W619-G623 PolarHBondContact O-N 3.36Å; G623-F625 PolarHBondContact O-N 3.45Å; G623-F625 VanDerWaalsContact O-N 3.11Å; G623-Y626 PolarHBondContact O-N 3.08Å; G623-Y626 VanDerWaalsContact O-N 3.1Å
624	A	98.5	Very high	98.6	Very high	3 Å²	3	4.5 Å²	4.5	3%	0.025	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-22.3	168.3	0	0	0	0	0	113.1	S620 L622 A656 R660	S620-A624 WeakPolarHBondContact O-CB 3.33Å; S620-A624 PolarHBondContact O-N 2.93Å; L622-A624 PolarHBondContact O-N 2.8Å; A624-A656 HydrophobicContact CB-CB 4.13Å; A624-A656 WeakPolarHBondContact CB-O 3.41Å; A624-R660 HydrophobicContact CB-CB 4.16Å; A624-R660 WeakPolarHBondContact O-CB 3.46Å; A624-R660 WeakPolarHBondContact O-CD 3.09Å; A624-R660 VanDerWaalsContact O-CG 3.28Å; A624-R660 WeakPolarHBondContact O-CG 3.49Å; A624-R660 PolarHBondContact O-NH1 2.89Å
625	F	98.7	Very high	98.5	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.009	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-0.7	178.5	-61.8	-89.3	0	0	0	114.1	Q621 L622 G623 L659 L663 F702 L704 V710 I755 I757	Q621-F625 VanDerWaalsContact O-CD2 3.28Å; Q621-F625 WeakPolarHBondContact O-CD2 3.37Å; L622-F625 WeakPolarHBondContact O-CB 3.3Å; L622-F625 PolarHBondContact O-N 2.93Å; G623-F625 PolarHBondContact O-N 3.45Å; G623-F625 VanDerWaalsContact O-N 3.11Å; F625-L659 HydrophobicContact CE2-CD2 4.48Å; F625-L659 HydrophobicContact CZ-CD2 3.72Å; F625-L659 HydrophobicContact CZ-CG 4.33Å; F625-L663 HydrophobicContact CE1-CD1 3.91Å; F625-F702 HydrophobicContact CB-CE2 4.25Å; F625-F702 HydrophobicContact CB-CZ 3.67Å; F625-L704 HydrophobicContact CD1-CD2 4.35Å; F625-V710 HydrophobicContact CB-CG1 4.45Å; F625-V710 HydrophobicContact CB-CG2 4.21Å; F625-V710 HydrophobicContact CD1-CG2 3.79Å; F625-V710 HydrophobicContact CD2-CG1 4.15Å; F625-V710 HydrophobicContact CE1-CG2 4.35Å; F625-V710 HydrophobicContact CG-CG1 4.18Å; F625-V710 HydrophobicContact CG-CG2 3.96Å; F625-I755 HydrophobicContact CD2-CD1 4.2Å; F625-I755 HydrophobicContact CE2-CD1 4.08Å; F625-I755 HydrophobicContact CE2-CG2 4.12Å; F625-I757 HydrophobicContact CD1-CD1 4.48Å; F625-I757 HydrophobicContact CD2-CD1 4.42Å; F625-I757 HydrophobicContact CE1-CD1 3.77Å; F625-I757 HydrophobicContact CE1-CG1 4.31Å; F625-I757 HydrophobicContact CE2-CD1 3.72Å; F625-I757 HydrophobicContact CE2-CG1 4.33Å; F625-I757 HydrophobicContact CZ-CD1 3.34Å; F625-I757 HydrophobicContact CZ-CG1 3.7Å
626	Y	98.8	Very high	98.4	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.073	C	C	.	.	S	Bend	trans	-65.9	136.8	169	-65.1	-17.3	0	0	0	109.9	S585 I589 A602 I604 W619 L622 G623 F628 R660	S585-Y626 WeakPolarHBondContact CB-OH 3.12Å; S585-Y626 PolarHBondContact OG-OH 2.8Å; I589-Y626 HydrophobicContact CD1-CD1 3.97Å; I589-Y626 HydrophobicContact CD1-CE1 3.92Å; I589-Y626 HydrophobicContact CD1-CG 4.31Å; I589-Y626 HydrophobicContact CG1-CD1 3.78Å; I589-Y626 HydrophobicContact CG1-CE1 4.17Å; I589-Y626 HydrophobicContact CG1-CG 4.2Å; A602-Y626 HydrophobicContact CB-CE2 3.91Å; I604-Y626 HydrophobicContact CG1-CD2 4.46Å; I604-Y626 HydrophobicContact CG1-CE2 4.39Å; W619-Y626 AromaticContact NE1-CE2 3.98Å; W619-Y626 PolarHBondContact NE1-OH 2.87Å; L622-Y626 HydrophobicContact CD1-CE1 4.01Å; L622-Y626 HydrophobicContact CD2-CE1 4.09Å; L622-Y626 WeakPolarHBondContact CD2-OH 3.48Å; L622-Y626 HydrophobicContact CG-CE1 3.62Å; L622-Y626 WeakPolarHBondContact CG-OH 3.15Å; G623-Y626 PolarHBondContact O-N 3.08Å; G623-Y626 VanDerWaalsContact O-N 3.1Å; Y626-F628 WeakPolarHBondContact CB-O 3.44Å; Y626-F628 PolarHBondContact O-N 3.5Å; Y626-R660 PolarHBondContact O-NH1 2.86Å; Y626-R660 PolarHBondContact O-NH2 2.7Å
627	P	98.7	Very high	98.3	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.006	8%	0.078	C	C	.	.	S	Bend	trans	-52.1	-41.2	174.2	-29	35.5	0	0	0	113.2	P598 V600 R660 F671 V681 A682	P598-P627 WeakPolarHBondContact O-CB 3.29Å; P598-P627 WeakPolarHBondContact O-CG 3.28Å; V600-P627 VanDerWaalsContact O-CD 3.31Å; V600-P627 WeakPolarHBondContact O-CD 3.45Å; P627-R660 PolarHBondContact O-NH2 3.1Å; P627-F671 HydrophobicContact CB-CE2 4.29Å; P627-F671 HydrophobicContact CB-CZ 3.87Å; P627-V681 HydrophobicContact CB-CG1 4.28Å; P627-V681 HydrophobicContact CG-CB 4.34Å; P627-V681 HydrophobicContact CG-CG1 3.95Å; P627-A682 HydrophobicContact CG-CB 4.23Å
628	F	98.9	Very high	98.3	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.009	11%	0.105	C	C	.	.	S	Bend	trans	-107.6	126	168	172	-119.4	0	0	0	111	H326 W356 F554 L556 W571 M599 V600 G601 Y626 R630	H326-F628 AromaticContact ND1-CE2 3.86Å; W356-F628 HydrophobicContact CH2-CE2 4.12Å; W356-F628 AromaticContact CH2-CZ 3.65Å; W356-F628 HydrophobicContact CH2-CZ 3.65Å; W356-F628 AromaticContact CZ2-CE2 3.86Å; W356-F628 HydrophobicContact CZ2-CE2 3.86Å; W356-F628 AromaticContact CZ2-CZ 3.75Å; W356-F628 HydrophobicContact CZ2-CZ 3.75Å; F554-F628 HydrophobicContact CZ-CD2 4.35Å; F554-F628 AromaticContact CZ-CE2 3.92Å; F554-F628 HydrophobicContact CZ-CE2 3.92Å; L556-F628 HydrophobicContact CD1-CD1 3.91Å; L556-F628 HydrophobicContact CD1-CE1 3.57Å; L556-F628 HydrophobicContact CD1-CZ 3.93Å; L556-F628 HydrophobicContact CD2-CE1 3.8Å; L556-F628 HydrophobicContact CD2-CZ 3.88Å; L556-F628 HydrophobicContact CG-CE1 4.35Å; L556-F628 HydrophobicContact CG-CZ 4.5Å; W571-F628 HydrophobicContact CB-CD1 4.45Å; W571-F628 HydrophobicContact CB-CE1 4.23Å; M599-F628 HydrophobicContact CE-CB 3.88Å; M599-F628 HydrophobicContact CE-CD2 3.88Å; M599-F628 HydrophobicContact CE-CG 4.35Å; M599-F628 HydrophobicContact CG-CB 4.32Å; M599-F628 HydrophobicContact SD-CB 4.13Å; V600-F628 PolarHBondContact O-N 3.4Å; G601-F628 WeakPolarHBondContact CA-O 3.37Å; Y626-F628 WeakPolarHBondContact CB-O 3.44Å; Y626-F628 PolarHBondContact O-N 3.5Å; F628-R630 HydrophobicContact CE1-CB 3.88Å; F628-R630 HydrophobicContact CE2-CB 4.32Å; F628-R630 HydrophobicContact CZ-CB 3.66Å; F628-R630 HydrophobicContact CZ-CG 4.35Å
629	A	98.9	Very high	98.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	101.8	-174	0	0	0	0	0	112.4	F325 H326 I604 R660	F325-A629 HydrophobicContact CD2-CB 4.4Å; H326-A629 PolarHBondContact CD2-O 3.31Å; H326-A629 PolarHBondContact N-O 3.09Å; I604-A629 HydrophobicContact CD1-CB 4.12Å; A629-R660 VanDerWaalsContact CB-CZ 3.46Å
630	R	98.9	Very high	98.2	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.4	179	-175.6	-178.9	72.5	164.2	6.7	111.2	H326 C328 D603 I604 F628 H632	H326-R630 HydrophobicContact CB-CB 3.92Å; H326-R630 HydrophobicContact CB-CG 3.91Å; H326-R630 WeakPolarHBondContact O-CA 3.25Å; C328-R630 HydrophobicContact CB-CG 4.37Å; D603-R630 IonicContact OD1-CZ 3.59Å; D603-R630 IonicContact OD1-NE 2.78Å; D603-R630 PolarHBondContact OD1-NE 2.73Å; D603-R630 VanDerWaalsContact OD1-NE 3.09Å; D603-R630 IonicContact OD1-NH2 3.88Å; D603-R630 PolarHBondContact OD1-NH2 2.9Å; D603-R630 IonicContact OD2-NH2 3.34Å; D603-R630 PolarHBondContact OD2-NH2 3.33Å; I604-R630 WeakPolarHBondContact CB-O 3.47Å; I604-R630 WeakPolarHBondContact CG1-O 3.42Å; I604-R630 PolarHBondContact N-O 2.98Å; F628-R630 HydrophobicContact CE1-CB 3.88Å; F628-R630 HydrophobicContact CE2-CB 4.32Å; F628-R630 HydrophobicContact CZ-CB 3.66Å; F628-R630 HydrophobicContact CZ-CG 4.35Å; R630-H632 HydrophobicContact CG-CB 4.18Å; R630-H632 PolarHBondContact NH2-CD2 3.28Å; R630-H632 VanDerWaalsContact NH2-CD2 3.3Å
631	N	98.8	Very high	98.2	Very high	3 Å²	3	20 Å²	20	2%	0.016	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.3	160.8	179.7	-51.2	0	0	0	107.9	F325 H326 C328 I604 Q640	F325-N631 HydrophobicContact CE2-CB 4.21Å; F325-N631 HydrophobicContact CZ-CB 3.68Å; H326-N631 PolarHBondContact O-N 2.8Å; C328-N631 PolarHBondContact N-O 2.93Å; I604-N631 HydrophobicContact CB-CB 4.29Å; N631-Q640 PolarHBondContact ND2-O 2.97Å
632	H	98.8	Very high	98.2	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.009	12%	0.121	C	C	.	.			trans	-140.1	147.2	-179.2	-179.1	51.5	0	0	0	109.4	C328 R329 D358 W472 D603 F607 R630 Q640	C328-H632 HydrophobicContact CB-CB 4.05Å; C328-H632 WeakPolarHBondContact CB-ND1 3.48Å; C328-H632 WeakPolarHBondContact O-CA 3.29Å; C328-H632 PolarHBondContact SG-ND1 3.38Å; R329-H632 WeakPolarHBondContact CA-ND1 3.37Å; D358-H632 IonicContact OD2-CE1 3.86Å; D358-H632 PolarHBondContact OD2-CE1 2.9Å; D358-H632 IonicContact OD2-NE2 3.06Å; W472-H632 AromaticContact CH2-CE1 3.71Å; W472-H632 AromaticContact CH2-NE2 3.43Å; W472-H632 WeakPolarHBondContact CH2-NE2 3.27Å; D603-H632 HydrophobicContact CB-CB 4.17Å; D603-H632 WeakPolarHBondContact OD1-CB 3.46Å; D603-H632 IonicContact OD2-CD2 3.3Å; D603-H632 PolarHBondContact OD2-CD2 2.93Å; F607-H632 AromaticContact CD2-CD2 3.43Å; F607-H632 VanDerWaalsContact CD2-CD2 3.43Å; F607-H632 WeakPolarHBondContact CD2-CD2 3.04Å; F607-H632 AromaticContact CD2-NE2 3.59Å; F607-H632 AromaticContact CE2-CD2 3.63Å; F607-H632 AromaticContact CE2-CE1 3.96Å; F607-H632 AromaticContact CE2-NE2 3.24Å; F607-H632 WeakPolarHBondContact CE2-NE2 3.5Å; R630-H632 HydrophobicContact CG-CB 4.18Å; R630-H632 PolarHBondContact NH2-CD2 3.28Å; R630-H632 VanDerWaalsContact NH2-CD2 3.3Å; H632-Q640 PolarHBondContact O-NE2 3.01Å
633	N	98.3	Very high	98.1	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.016	13%	0.129	C	C	.	.			trans	-145.5	146.1	-166.2	-167	8.6	0	0	0	110.9	R329 Y330 F607 S637 N638 Q640	R329-N633 WeakPolarHBondContact CA-O 3.4Å; R329-N633 HydrophobicContact CB-CB 4.09Å; Y330-N633 PolarHBondContact N-O 2.99Å; F607-N633 VanDerWaalsContact CD2-C 3.49Å; N633-S637 WeakPolarHBondContact OD1-CB 3.29Å; N633-N638 PolarHBondContact ND2-O 3.32Å; N633-Q640 HydrophobicContact CB-CG 3.91Å
634	A	97.6	Very high	98.1	Very high	12 Å²	12	22.8 Å²	22.8	10%	0.099	14%	0.143	C	C	.	.			trans	-77	158.1	-178.5	0	0	0	0	0	113.9	Y330 F607 G636 S637	Y330-A634 CarbonylContact O-C 3.49Å; F607-A634 HydrophobicContact CD1-CB 4.13Å; F607-A634 HydrophobicContact CD2-CB 4.07Å; F607-A634 HydrophobicContact CE1-CB 3.89Å; F607-A634 VanDerWaalsContact CE2-CA 3.46Å; F607-A634 HydrophobicContact CE2-CB 3.81Å; F607-A634 HydrophobicContact CG-CB 4.24Å; F607-A634 HydrophobicContact CZ-CB 3.73Å; F607-A634 WeakPolarHBondContact O-CB 3.46Å; F607-A634 PolarHBondContact O-N 3.48Å; A634-G636 PolarHBondContact O-N 3.32Å; A634-S637 PolarHBondContact O-N 2.93Å
635	H	96.5	Very high	98	Very high	118 Å²	118	25.3 Å²	25.3	55%	0.546	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	134	170	-176.6	87.7	0	0	0	111.2	Y330 G331 S637	Y330-H635 HydrophobicContact CD1-CB 3.36Å; Y330-H635 HydrophobicContact CD2-CB 4.18Å; Y330-H635 HydrophobicContact CE1-CB 3.36Å; Y330-H635 HydrophobicContact CE2-CB 4.17Å; Y330-H635 HydrophobicContact CG-CB 3.75Å; Y330-H635 WeakPolarHBondContact O-CA 3.41Å; Y330-H635 PolarHBondContact O-N 2.96Å; G331-H635 WeakPolarHBondContact CA-ND1 3.29Å; H635-S637 VanDerWaalsContact C-N 3.3Å; H635-S637 PolarHBondContact O-N 3.49Å
636	G	95.3	Very high	98	Very high	70 Å²	70	27.2 Å²	27.2	72%	0.722	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.8	-10.6	-179.7	0	0	0	0	0	115.5	A634	A634-G636 PolarHBondContact O-N 3.32Å
637	S	97.2	Very high	97.8	Very high	13 Å²	13	34.4 Å²	34.4	9%	0.091	20%	0.199	C	C	.	.	S	Bend	trans	-79.7	152.7	174	-54.2	0	0	0	0	111.7	R329 N610 N633 A634 H635	R329-S637 PolarHBondContact NH2-O 3.15Å; R329-S637 VanDerWaalsContact NH2-O 3.09Å; N610-S637 WeakPolarHBondContact OD1-CA 3.39Å; N633-S637 WeakPolarHBondContact OD1-CB 3.29Å; A634-S637 PolarHBondContact O-N 2.93Å; H635-S637 VanDerWaalsContact C-N 3.3Å; H635-S637 PolarHBondContact O-N 3.49Å
638	N	97.6	Very high	97.7	Very high	109 Å²	109	41 Å²	41	58%	0.583	23%	0.23	S	C	*	.	P	Polyproline II helix	trans	-58.9	151.4	174.1	-70.4	-23.9	0	0	0	111.1	N610 N633	N610-N638 PolarHBondContact OD1-N 3.46Å; N633-N638 PolarHBondContact ND2-O 3.32Å
639	N	97.4	Very high	97.6	Very high	60 Å²	60	41.2 Å²	41.2	32%	0.321	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-56	143	173.8	-64.1	-2.9	0	0	0	110.5	R329 R344 C644	R329-N639 PolarHBondContact NH1-OD1 3.35Å; R344-N639 PolarHBondContact NH2-ND2 2.85Å; N639-C644 HydrophobicContact CB-CB 3.98Å; N639-C644 PolarHBondContact O-SG 3.03Å; N639-C644 VanDerWaalsContact O-SG 3.33Å
640	Q	98.4	Very high	97.6	Very high	3 Å²	3	42 Å²	42	1%	0.014	24%	0.236	C	C	.	.			trans	-142.9	8	-179	73.5	-176.2	23.2	0	0	114.1	I604 C605 G606 T611 N631 H632 N633 C644 W645	I604-Q640 PolarHBondContact O-NE2 3.37Å; C605-Q640 HydrophobicContact CB-CG 4.46Å; G606-Q640 PolarHBondContact O-NE2 3.27Å; T611-Q640 HydrophobicContact CG2-CB 3.75Å; N631-Q640 PolarHBondContact ND2-O 2.97Å; H632-Q640 PolarHBondContact O-NE2 3.01Å; N633-Q640 HydrophobicContact CB-CG 3.91Å; Q640-C644 VanDerWaalsContact CA-SG 3.56Å; Q640-W645 HydrophobicContact CB-CZ2 4.05Å; Q640-W645 PolarHBondContact O-NE1 3.02Å
641	D	98.3	Very high	97.5	Very high	12 Å²	12	45 Å²	45	6%	0.064	25%	0.252	C	S	.	.	S	Bend	trans	-64.8	150	172.1	58	-73.7	0	0	0	110.5	V341 R344 N345 A643 C644	V341-D641 HydrophobicContact CG1-CB 4.32Å; R344-D641 IonicContact CZ-OD1 3.75Å; R344-D641 IonicContact CZ-OD2 3.01Å; R344-D641 VanDerWaalsContact CZ-OD2 3.3Å; R344-D641 IonicContact NE-OD1 3.18Å; R344-D641 IonicContact NE-OD2 2.81Å; R344-D641 PolarHBondContact NE-OD2 2.75Å; R344-D641 IonicContact NH2-OD1 3.19Å; R344-D641 PolarHBondContact NH2-OD1 2.84Å; R344-D641 IonicContact NH2-OD2 3.67Å; R344-D641 PolarHBondContact NH2-OD2 3.38Å; R344-D641 VanDerWaalsContact NH2-OD2 3.1Å; N345-D641 PolarHBondContact ND2-OD2 2.9Å; D641-A643 VanDerWaalsContact C-N 3.3Å; D641-A643 PolarHBondContact O-N 2.91Å; D641-C644 WeakPolarHBondContact O-CB 3.43Å; D641-C644 PolarHBondContact O-N 2.64Å; D641-C644 PolarHBondContact O-SG 3.26Å
642	P	98.4	Very high	97.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-51	-41.2	-164.9	-32.4	37	0	0	0	116.2	F325 N345 I350 C644 T650 I653 I657	F325-P642 HydrophobicContact CE1-CG 3.96Å; F325-P642 HydrophobicContact CZ-CG 4.08Å; N345-P642 WeakPolarHBondContact OD1-CB 3.3Å; N345-P642 VanDerWaalsContact OD1-CD 3.3Å; N345-P642 WeakPolarHBondContact OD1-CD 3.28Å; I350-P642 HydrophobicContact CD1-CB 3.78Å; I350-P642 HydrophobicContact CG1-CB 3.94Å; I350-P642 HydrophobicContact CG2-CB 4.29Å; I350-P642 HydrophobicContact CG2-CG 4.14Å; P642-C644 VanDerWaalsContact C-N 3.33Å; P642-C644 PolarHBondContact O-N 3.33Å; P642-T650 PolarHBondContact O-OG1 3.11Å; P642-I653 HydrophobicContact CB-CB 4.37Å; P642-I653 HydrophobicContact CB-CG2 3.65Å; P642-I653 HydrophobicContact CG-CG2 3.74Å; P642-I657 HydrophobicContact CG-CD1 4.21Å
643	A	98.2	Very high	97.4	Very high	20 Å²	20	45.1 Å²	45.1	17%	0.165	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-87.2	11.1	-177.3	0	0	0	0	0	114.8	R344 N345 A348 D641 T650	R344-A643 HydrophobicContact CB-CB 4.4Å; R344-A643 HydrophobicContact CG-CB 4.15Å; R344-A643 WeakPolarHBondContact O-CB 3.21Å; N345-A643 HydrophobicContact CB-CB 4.34Å; N345-A643 WeakPolarHBondContact OD1-CB 3.5Å; N345-A643 PolarHBondContact OD1-N 2.98Å; A348-A643 HydrophobicContact CB-CB 3.74Å; D641-A643 VanDerWaalsContact C-N 3.3Å; D641-A643 PolarHBondContact O-N 2.91Å; A643-T650 HydrophobicContact CB-CG2 4.45Å
644	C	97.5	Very high	97.4	Very high	44 Å²	44	47.7 Å²	47.7	30%	0.297	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-87.3	-12.4	169.8	80.6	0	0	0	0	113.6	N639 Q640 D641 P642	N639-C644 HydrophobicContact CB-CB 3.98Å; N639-C644 PolarHBondContact O-SG 3.03Å; N639-C644 VanDerWaalsContact O-SG 3.33Å; Q640-C644 VanDerWaalsContact CA-SG 3.56Å; D641-C644 WeakPolarHBondContact O-CB 3.43Å; D641-C644 PolarHBondContact O-N 2.64Å; D641-C644 PolarHBondContact O-SG 3.26Å; P642-C644 VanDerWaalsContact C-N 3.33Å; P642-C644 PolarHBondContact O-N 3.33Å
645	W	97.6	Very high	97.4	Very high	56 Å²	56	51.9 Å²	51.9	21%	0.212	28%	0.282	C	S	.	.	S	Bend	trans	-89.6	-176.3	-176.7	-60.8	107.8	0	0	0	112.7	T611 E613 C616 Q640 T649	T611-W645 HydrophobicContact CG2-CH2 3.91Å; T611-W645 HydrophobicContact CG2-CZ2 3.61Å; E613-W645 HydrophobicContact CB-CE3 3.93Å; E613-W645 HydrophobicContact CB-CZ3 3.94Å; E613-W645 HydrophobicContact CG-CD2 4.46Å; E613-W645 HydrophobicContact CG-CE3 3.97Å; E613-W645 HydrophobicContact CG-CZ3 4.49Å; C616-W645 HydrophobicContact CB-CZ2 4.09Å; Q640-W645 HydrophobicContact CB-CZ2 4.05Å; Q640-W645 PolarHBondContact O-NE1 3.02Å; W645-T649 HydrophobicContact CB-CG2 3.35Å; W645-T649 HydrophobicContact CD2-CG2 4.38Å; W645-T649 HydrophobicContact CG-CG2 3.59Å
646	S	96.9	Very high	97.4	Very high	42 Å²	42	46.7 Å²	46.7	29%	0.294	26%	0.259	S	S	.	.			trans	-57	162.1	169.8	68.1	0	0	0	0	112	E613 E648 T649 T650	E613-S646 WeakPolarHBondContact OE1-CB 3.39Å; E613-S646 PolarHBondContact OE1-OG 2.97Å; S646-E648 VanDerWaalsContact C-N 3.31Å; S646-E648 PolarHBondContact O-N 2.91Å; S646-T649 PolarHBondContact O-N 3.14Å; S646-T649 WeakPolarHBondContact OG-CB 3.32Å; S646-T649 PolarHBondContact OG-N 3.35Å; S646-T649 PolarHBondContact OG-OG1 2.8Å; S646-T650 WeakPolarHBondContact O-CB 3.12Å; S646-T650 PolarHBondContact O-N 2.99Å; S646-T650 PolarHBondContact O-OG1 2.91Å
647	E	96.6	Very high	97.6	Very high	151 Å²	151	43.5 Å²	43.5	71%	0.706	23%	0.225	S	C	*	.	H	α-helix	trans	-61.7	-41.9	177.5	-174.9	173.5	-180	0	0	111	T649 T650 I651	E647-T649 PolarHBondContact O-N 2.88Å; E647-T650 PolarHBondContact O-N 2.86Å; E647-I651 HydrophobicContact CG-CD1 4Å; E647-I651 VanDerWaalsContact O-CG1 3.25Å; E647-I651 WeakPolarHBondContact O-CG1 3.43Å; E647-I651 PolarHBondContact O-N 3.29Å
648	E	96.1	Very high	97.6	Very high	141 Å²	141	47.3 Å²	47.3	66%	0.659	24%	0.238	S	C	*	.	H	α-helix	trans	-60.7	-44.9	177.6	-64.3	84.6	176.9	0	0	112	S646 I651 A652	S646-E648 VanDerWaalsContact C-N 3.31Å; S646-E648 PolarHBondContact O-N 2.91Å; E648-I651 PolarHBondContact O-N 3.22Å; E648-A652 PolarHBondContact O-N 3.37Å
649	T	96.9	Very high	97.6	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-66.3	-43.7	177.1	-71	0	0	0	0	111.9	E613 I617 W645 S646 E647 I651 A652 I653	E613-T649 VanDerWaalsContact CD-OG1 3.23Å; E613-T649 HydrophobicContact CG-CG2 3.94Å; E613-T649 WeakPolarHBondContact CG-OG1 3.35Å; E613-T649 VanDerWaalsContact OE1-CB 3.3Å; E613-T649 WeakPolarHBondContact OE1-CB 3.41Å; E613-T649 PolarHBondContact OE1-OG1 2.87Å; I617-T649 HydrophobicContact CD1-CG2 3.99Å; I617-T649 WeakPolarHBondContact CD1-OG1 3.32Å; I617-T649 HydrophobicContact CG1-CG2 3.63Å; W645-T649 HydrophobicContact CB-CG2 3.35Å; W645-T649 HydrophobicContact CD2-CG2 4.38Å; W645-T649 HydrophobicContact CG-CG2 3.59Å; S646-T649 PolarHBondContact O-N 3.14Å; S646-T649 WeakPolarHBondContact OG-CB 3.32Å; S646-T649 PolarHBondContact OG-N 3.35Å; S646-T649 PolarHBondContact OG-OG1 2.8Å; E647-T649 PolarHBondContact O-N 2.88Å; T649-I651 PolarHBondContact O-N 3.4Å; T649-A652 PolarHBondContact O-N 2.64Å; T649-A652 VanDerWaalsContact O-N 3.14Å; T649-I653 HydrophobicContact CG2-CD1 3.72Å; T649-I653 HydrophobicContact CG2-CG1 4.31Å; T649-I653 WeakPolarHBondContact O-CG1 3.48Å; T649-I653 PolarHBondContact O-N 2.91Å
650	T	98.2	Very high	97.6	Very high	15 Å²	15	41.4 Å²	41.4	9%	0.092	21%	0.206	C	C	.	.	H	α-helix	trans	-57.8	-41.9	175.9	-59	0	0	0	0	110.4	A348 I350 P642 A643 S646 E647 K654	A348-T650 HydrophobicContact CB-CG2 3.91Å; I350-T650 HydrophobicContact CD1-CG2 4.29Å; P642-T650 PolarHBondContact O-OG1 3.11Å; A643-T650 HydrophobicContact CB-CG2 4.45Å; S646-T650 WeakPolarHBondContact O-CB 3.12Å; S646-T650 PolarHBondContact O-N 2.99Å; S646-T650 PolarHBondContact O-OG1 2.91Å; E647-T650 PolarHBondContact O-N 2.86Å; T650-K654 WeakPolarHBondContact O-CB 3.09Å; T650-K654 PolarHBondContact O-N 2.84Å
651	I	97.6	Very high	97.6	Very high	66 Å²	66	41.3 Å²	41.3	34%	0.338	21%	0.205	S	C	.	.	H	α-helix	trans	-63.6	-45.9	175.7	-70.6	165.1	0	0	0	111.3	E647 E648 T649 K654 Q655	E647-I651 HydrophobicContact CG-CD1 4Å; E647-I651 VanDerWaalsContact O-CG1 3.25Å; E647-I651 WeakPolarHBondContact O-CG1 3.43Å; E647-I651 PolarHBondContact O-N 3.29Å; E648-I651 PolarHBondContact O-N 3.22Å; T649-I651 PolarHBondContact O-N 3.4Å; I651-K654 PolarHBondContact O-N 3.19Å; I651-Q655 VanDerWaalsContact O-CG 3.32Å; I651-Q655 WeakPolarHBondContact O-CG 3.47Å; I651-Q655 PolarHBondContact O-N 3.49Å
652	A	97.1	Very high	97.6	Very high	7 Å²	7	43 Å²	43	6%	0.058	21%	0.212	C	C	.	.	H	α-helix	trans	-62.3	-46.4	179.9	0	0	0	0	0	112.2	I617 E648 T649 Q655 A656 N753	I617-A652 HydrophobicContact CG2-CB 4.05Å; E648-A652 PolarHBondContact O-N 3.37Å; T649-A652 PolarHBondContact O-N 2.64Å; T649-A652 VanDerWaalsContact O-N 3.14Å; A652-Q655 PolarHBondContact O-N 3.44Å; A652-A656 PolarHBondContact O-N 2.92Å; A652-N753 HydrophobicContact CB-CB 4.3Å
653	I	98.2	Very high	97.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.2	-44.6	176.6	-65.2	173.4	0	0	0	110.5	I617 P642 T649 Q655 A656 I657	I617-I653 HydrophobicContact CG1-CG1 4.43Å; P642-I653 HydrophobicContact CB-CB 4.37Å; P642-I653 HydrophobicContact CB-CG2 3.65Å; P642-I653 HydrophobicContact CG-CG2 3.74Å; T649-I653 HydrophobicContact CG2-CD1 3.72Å; T649-I653 HydrophobicContact CG2-CG1 4.31Å; T649-I653 WeakPolarHBondContact O-CG1 3.48Å; T649-I653 PolarHBondContact O-N 2.91Å; I653-Q655 VanDerWaalsContact C-N 3.3Å; I653-Q655 PolarHBondContact O-N 3.47Å; I653-A656 PolarHBondContact O-N 3.33Å; I653-I657 HydrophobicContact CG2-CD1 3.73Å; I653-I657 HydrophobicContact CG2-CG1 4.39Å; I653-I657 WeakPolarHBondContact O-CG1 3.43Å; I653-I657 PolarHBondContact O-N 2.99Å
654	K	98.1	Very high	97.6	Very high	56 Å²	56	42.5 Å²	42.5	24%	0.243	21%	0.207	C	C	.	.	H	α-helix	trans	-56.2	-43.2	176.3	-178.4	166.2	56.1	-172.8	0	112.1	A348 G349 I350 T650 I651 I657 R658	A348-K654 WeakPolarHBondContact O-CD 3.38Å; A348-K654 PolarHBondContact O-NZ 3.07Å; G349-K654 WeakPolarHBondContact O-CD 3.46Å; I350-K654 HydrophobicContact CD1-CB 3.59Å; I350-K654 HydrophobicContact CD1-CD 4.33Å; I350-K654 HydrophobicContact CD1-CG 4.07Å; T650-K654 WeakPolarHBondContact O-CB 3.09Å; T650-K654 PolarHBondContact O-N 2.84Å; I651-K654 PolarHBondContact O-N 3.19Å; K654-I657 PolarHBondContact O-N 3.41Å; K654-R658 HydrophobicContact CG-CG 4.23Å; K654-R658 WeakPolarHBondContact O-CB 3.43Å; K654-R658 WeakPolarHBondContact O-CG 3.42Å; K654-R658 PolarHBondContact O-N 3.44Å
655	Q	96.7	Very high	97.6	Very high	101 Å²	101	40.4 Å²	40.4	47%	0.472	19%	0.193	S	C	.	.	H	α-helix	trans	-63.2	-42.7	179.5	-75.6	173.6	-10.8	0	0	112	I651 A652 I653 R658 L659	I651-Q655 VanDerWaalsContact O-CG 3.32Å; I651-Q655 WeakPolarHBondContact O-CG 3.47Å; I651-Q655 PolarHBondContact O-N 3.49Å; A652-Q655 PolarHBondContact O-N 3.44Å; I653-Q655 VanDerWaalsContact C-N 3.3Å; I653-Q655 PolarHBondContact O-N 3.47Å; Q655-R658 PolarHBondContact O-N 2.82Å; Q655-L659 PolarHBondContact O-N 2.73Å
656	A	97.7	Very high	97.7	Very high	8 Å²	8	38.4 Å²	38.4	7%	0.066	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-47.5	175.7	0	0	0	0	0	112	Q621 A624 A652 I653 R658 L659 R660	Q621-A656 HydrophobicContact CG-CB 4.19Å; A624-A656 HydrophobicContact CB-CB 4.13Å; A624-A656 WeakPolarHBondContact CB-O 3.41Å; A652-A656 PolarHBondContact O-N 2.92Å; I653-A656 PolarHBondContact O-N 3.33Å; A656-R658 PolarHBondContact O-N 3.19Å; A656-L659 WeakPolarHBondContact O-CB 3.28Å; A656-L659 PolarHBondContact O-N 2.8Å; A656-R660 PolarHBondContact O-N 3.3Å; A656-R660 VanDerWaalsContact O-N 3.11Å
657	I	98.3	Very high	97.7	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.015	17%	0.172	C	C	.	.	H	α-helix	trans	-63.4	-43.4	177.6	-63.6	168.6	0	0	0	110.4	F325 I350 P351 P642 I653 K654 L659 R660 Y661	F325-I657 HydrophobicContact CB-CG2 3.84Å; F325-I657 HydrophobicContact CD1-CD1 3.79Å; F325-I657 HydrophobicContact CD2-CD1 4.03Å; F325-I657 HydrophobicContact CD2-CG1 4.19Å; F325-I657 HydrophobicContact CE1-CD1 3.73Å; F325-I657 HydrophobicContact CE2-CD1 3.98Å; F325-I657 HydrophobicContact CE2-CG1 4.41Å; F325-I657 HydrophobicContact CG-CD1 3.93Å; F325-I657 HydrophobicContact CG-CG1 4.28Å; F325-I657 HydrophobicContact CG-CG2 4.17Å; F325-I657 HydrophobicContact CZ-CD1 3.82Å; I350-I657 HydrophobicContact CG2-CD1 3.86Å; P351-I657 HydrophobicContact CB-CG2 4.16Å; P351-I657 HydrophobicContact CG-CG2 4.05Å; P642-I657 HydrophobicContact CG-CD1 4.21Å; I653-I657 HydrophobicContact CG2-CD1 3.73Å; I653-I657 HydrophobicContact CG2-CG1 4.39Å; I653-I657 WeakPolarHBondContact O-CG1 3.43Å; I653-I657 PolarHBondContact O-N 2.99Å; K654-I657 PolarHBondContact O-N 3.41Å; I657-L659 VanDerWaalsContact C-N 3.3Å; I657-L659 PolarHBondContact O-N 3.21Å; I657-R660 VanDerWaalsContact O-CB 3.25Å; I657-R660 WeakPolarHBondContact O-CB 3.42Å; I657-R660 PolarHBondContact O-N 3.39Å; I657-R660 VanDerWaalsContact O-N 3.1Å; I657-Y661 HydrophobicContact CG2-CD2 3.88Å; I657-Y661 HydrophobicContact CG2-CE2 3.72Å; I657-Y661 VanDerWaalsContact O-CD2 3.3Å; I657-Y661 WeakPolarHBondContact O-CD2 3.44Å; I657-Y661 PolarHBondContact O-N 2.8Å; I657-Y661 VanDerWaalsContact O-N 3.07Å
658	R	98.1	Very high	97.8	Very high	93 Å²	93	29.4 Å²	29.4	35%	0.351	14%	0.139	S	C	.	.	H	α-helix	trans	-61.4	-38.6	177.1	-72.7	175.2	65.7	79	4.6	112.6	P351 K654 Q655 A656 R660 Y661 H662 A771	P351-R658 HydrophobicContact CG-CG 4.09Å; K654-R658 HydrophobicContact CG-CG 4.23Å; K654-R658 WeakPolarHBondContact O-CB 3.43Å; K654-R658 WeakPolarHBondContact O-CG 3.42Å; K654-R658 PolarHBondContact O-N 3.44Å; Q655-R658 PolarHBondContact O-N 2.82Å; A656-R658 PolarHBondContact O-N 3.19Å; R658-R660 VanDerWaalsContact C-N 3.32Å; R658-R660 PolarHBondContact O-N 2.75Å; R658-Y661 PolarHBondContact O-N 3.43Å; R658-H662 PolarHBondContact O-CD2 3.44Å; R658-H662 PolarHBondContact O-N 3.1Å; R658-A771 HydrophobicContact CB-CB 3.91Å; R658-A771 HydrophobicContact CG-CB 3.9Å
659	L	96.9	Very high	97.9	Very high	44 Å²	44	22.9 Å²	22.9	23%	0.23	11%	0.109	C	C	.	.	H	α-helix	trans	-60.3	-42	174	177.3	58	0	0	0	111.6	F625 Q655 A656 I657 Y661 H662 L663 L733	F625-L659 HydrophobicContact CE2-CD2 4.48Å; F625-L659 HydrophobicContact CZ-CD2 3.72Å; F625-L659 HydrophobicContact CZ-CG 4.33Å; Q655-L659 PolarHBondContact O-N 2.73Å; A656-L659 WeakPolarHBondContact O-CB 3.28Å; A656-L659 PolarHBondContact O-N 2.8Å; I657-L659 VanDerWaalsContact C-N 3.3Å; I657-L659 PolarHBondContact O-N 3.21Å; L659-Y661 VanDerWaalsContact C-N 3.35Å; L659-Y661 PolarHBondContact O-N 2.96Å; L659-H662 PolarHBondContact O-N 2.81Å; L659-L663 HydrophobicContact CD1-CD1 4.07Å; L659-L663 HydrophobicContact CD1-CG 4.27Å; L659-L663 HydrophobicContact CG-CD1 4.19Å; L659-L663 WeakPolarHBondContact O-CG 3.37Å; L659-L663 PolarHBondContact O-N 3.33Å; L659-L663 VanDerWaalsContact O-N 3.12Å; L659-L733 HydrophobicContact CD1-CD2 4.01Å; L659-L733 HydrophobicContact CD2-CD2 4.12Å
660	R	98.2	Very high	98	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-54.2	-51.4	171.4	175.5	-175.6	-174.3	76.1	-2.1	111.4	L323 A624 Y626 P627 A629 A656 I657 R658 H662 L663 L664	L323-R660 PolarHBondContact O-NE 2.76Å; L323-R660 PolarHBondContact O-NH2 2.75Å; A624-R660 HydrophobicContact CB-CB 4.16Å; A624-R660 WeakPolarHBondContact O-CB 3.46Å; A624-R660 WeakPolarHBondContact O-CD 3.09Å; A624-R660 VanDerWaalsContact O-CG 3.28Å; A624-R660 WeakPolarHBondContact O-CG 3.49Å; A624-R660 PolarHBondContact O-NH1 2.89Å; Y626-R660 PolarHBondContact O-NH1 2.86Å; Y626-R660 PolarHBondContact O-NH2 2.7Å; P627-R660 PolarHBondContact O-NH2 3.1Å; A629-R660 VanDerWaalsContact CB-CZ 3.46Å; A656-R660 PolarHBondContact O-N 3.3Å; A656-R660 VanDerWaalsContact O-N 3.11Å; I657-R660 VanDerWaalsContact O-CB 3.25Å; I657-R660 WeakPolarHBondContact O-CB 3.42Å; I657-R660 PolarHBondContact O-N 3.39Å; I657-R660 VanDerWaalsContact O-N 3.1Å; R658-R660 VanDerWaalsContact C-N 3.32Å; R658-R660 PolarHBondContact O-N 2.75Å; R660-H662 VanDerWaalsContact C-N 3.32Å; R660-H662 PolarHBondContact O-N 3.35Å; R660-L663 CarbonylContact O-C 3.34Å; R660-L663 WeakPolarHBondContact O-CA 3.38Å; R660-L663 PolarHBondContact O-N 3.09Å; R660-L664 HydrophobicContact CG-CD2 4.03Å; R660-L664 WeakPolarHBondContact O-CG 3.45Å; R660-L664 PolarHBondContact O-N 3.15Å; R660-L664 VanDerWaalsContact O-N 3.07Å
661	Y	98.5	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59	-42.3	-178.1	-86.5	-103.4	0	0	0	112.6	F325 P351 D353 I657 R658 L659 L663 L664 Q768 E772 T774	F325-Y661 HydrophobicContact CB-CE2 4Å; F325-Y661 PolarHBondContact N-OH 2.96Å; P351-Y661 HydrophobicContact CB-CD1 4.22Å; P351-Y661 HydrophobicContact CB-CD2 3.81Å; P351-Y661 HydrophobicContact CB-CE1 3.89Å; P351-Y661 HydrophobicContact CB-CE2 3.45Å; P351-Y661 VanDerWaalsContact CB-CE2 3.45Å; P351-Y661 HydrophobicContact CB-CG 4.16Å; P351-Y661 VanDerWaalsContact CB-CZ 3.47Å; P351-Y661 HydrophobicContact CG-CD2 4.29Å; P351-Y661 HydrophobicContact CG-CE2 4.35Å; D353-Y661 PolarHBondContact N-OH 3.49Å; D353-Y661 WeakPolarHBondContact OD2-CE1 3.49Å; D353-Y661 PolarHBondContact OD2-OH 2.77Å; I657-Y661 HydrophobicContact CG2-CD2 3.88Å; I657-Y661 HydrophobicContact CG2-CE2 3.72Å; I657-Y661 VanDerWaalsContact O-CD2 3.3Å; I657-Y661 WeakPolarHBondContact O-CD2 3.44Å; I657-Y661 PolarHBondContact O-N 2.8Å; I657-Y661 VanDerWaalsContact O-N 3.07Å; R658-Y661 PolarHBondContact O-N 3.43Å; L659-Y661 VanDerWaalsContact C-N 3.35Å; L659-Y661 PolarHBondContact O-N 2.96Å; Y661-L663 VanDerWaalsContact C-N 3.26Å; Y661-L663 PolarHBondContact O-N 2.85Å; Y661-L664 HydrophobicContact CD1-CD1 3.96Å; Y661-L664 HydrophobicContact CE1-CD1 4.35Å; Y661-L664 HydrophobicContact CG-CD1 4.23Å; Y661-L664 PolarHBondContact O-N 3.09Å; Y661-Q768 PolarHBondContact O-OE1 3.09Å; Y661-E772 WeakPolarHBondContact CD1-O 3.38Å; Y661-E772 WeakPolarHBondContact CE1-O 3.39Å; Y661-T774 HydrophobicContact CE1-CG2 4.09Å
662	H	97.7	Very high	98	Very high	47 Å²	47	20.3 Å²	20.3	22%	0.218	9%	0.094	C	C	.	.	H	α-helix	trans	-58.6	-37.9	172.2	-69.2	-55.8	0	0	0	112.1	R658 L659 R660 P665 M767 Q768	R658-H662 PolarHBondContact O-CD2 3.44Å; R658-H662 PolarHBondContact O-N 3.1Å; L659-H662 PolarHBondContact O-N 2.81Å; R660-H662 VanDerWaalsContact C-N 3.32Å; R660-H662 PolarHBondContact O-N 3.35Å; H662-P665 WeakPolarHBondContact O-CD 3.22Å; H662-M767 CarbonylContact O-C 3.56Å; H662-M767 WeakPolarHBondContact O-CA 3.43Å; H662-M767 WeakPolarHBondContact O-CB 3.47Å; H662-Q768 PolarHBondContact ND1-O 2.68Å; H662-Q768 PolarHBondContact O-N 2.74Å
663	L	97.9	Very high	98	Very high	10 Å²	10	23.1 Å²	23.1	5%	0.052	10%	0.103	C	C	.	.	H	α-helix	trans	-85.6	-2.3	-177.9	-65.9	175.7	0	0	0	115.2	F625 L659 R660 Y661 P665 Y666 M667 I708 I765	F625-L663 HydrophobicContact CE1-CD1 3.91Å; L659-L663 HydrophobicContact CD1-CD1 4.07Å; L659-L663 HydrophobicContact CD1-CG 4.27Å; L659-L663 HydrophobicContact CG-CD1 4.19Å; L659-L663 WeakPolarHBondContact O-CG 3.37Å; L659-L663 PolarHBondContact O-N 3.33Å; L659-L663 VanDerWaalsContact O-N 3.12Å; R660-L663 CarbonylContact O-C 3.34Å; R660-L663 WeakPolarHBondContact O-CA 3.38Å; R660-L663 PolarHBondContact O-N 3.09Å; Y661-L663 VanDerWaalsContact C-N 3.26Å; Y661-L663 PolarHBondContact O-N 2.85Å; L663-P665 VanDerWaalsContact C-CD 3.48Å; L663-Y666 WeakPolarHBondContact O-CB 3.48Å; L663-Y666 PolarHBondContact O-N 2.73Å; L663-Y666 VanDerWaalsContact O-N 3.08Å; L663-M667 PolarHBondContact O-N 3.06Å; L663-I708 HydrophobicContact CD1-CD1 4.09Å; L663-I708 HydrophobicContact CD2-CD1 4Å; L663-I765 HydrophobicContact CD2-CG2 4.03Å
664	L	98.6	Very high	98	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-57.1	-38.4	-177.3	-67.8	-177.4	0	0	0	114.6	Y320 L323 R660 Y661 Y666 M667 Y668 T774	Y320-L664 HydrophobicContact CE1-CB 4.26Å; Y320-L664 HydrophobicContact CE1-CD1 4.19Å; Y320-L664 HydrophobicContact CE2-CB 4.45Å; Y320-L664 WeakPolarHBondContact OH-CB 3.44Å; L323-L664 HydrophobicContact CB-CD2 3.69Å; L323-L664 WeakPolarHBondContact O-CD2 3.36Å; R660-L664 HydrophobicContact CG-CD2 4.03Å; R660-L664 WeakPolarHBondContact O-CG 3.45Å; R660-L664 PolarHBondContact O-N 3.15Å; R660-L664 VanDerWaalsContact O-N 3.07Å; Y661-L664 HydrophobicContact CD1-CD1 3.96Å; Y661-L664 HydrophobicContact CE1-CD1 4.35Å; Y661-L664 HydrophobicContact CG-CD1 4.23Å; Y661-L664 PolarHBondContact O-N 3.09Å; L664-Y666 VanDerWaalsContact C-N 3.29Å; L664-Y666 PolarHBondContact O-N 2.76Å; L664-M667 HydrophobicContact CD2-SD 4.28Å; L664-M667 PolarHBondContact O-N 3.21Å; L664-Y668 WeakPolarHBondContact O-CB 3.49Å; L664-Y668 PolarHBondContact O-N 2.88Å; L664-T774 HydrophobicContact CD1-CG2 3.63Å
665	P	98.3	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.3	-38	175.9	-26.2	37.3	0	0	0	113.1	Y320 H662 L663 T669 P766 Q768 F782 L808 W810	Y320-P665 WeakPolarHBondContact OH-CD 3.2Å; H662-P665 WeakPolarHBondContact O-CD 3.22Å; L663-P665 VanDerWaalsContact C-CD 3.48Å; P665-T669 WeakPolarHBondContact O-CB 3.37Å; P665-T669 PolarHBondContact O-N 2.78Å; P665-T669 PolarHBondContact O-OG1 2.63Å; P665-P766 HydrophobicContact CB-CB 4.18Å; P665-P766 HydrophobicContact CB-CG 4.32Å; P665-Q768 HydrophobicContact CG-CB 4.48Å; P665-Q768 HydrophobicContact CG-CG 3.65Å; P665-F782 HydrophobicContact CB-CD1 4.32Å; P665-F782 HydrophobicContact CB-CE1 3.83Å; P665-F782 HydrophobicContact CG-CD1 4.05Å; P665-F782 HydrophobicContact CG-CE1 3.69Å; P665-L808 HydrophobicContact CB-CD1 3.77Å; P665-W810 HydrophobicContact CB-CZ3 3.96Å; P665-W810 HydrophobicContact CG-CH2 4.37Å; P665-W810 HydrophobicContact CG-CZ3 4.03Å
666	Y	98.4	Very high	97.9	Very high	15 Å²	15	24.2 Å²	24.2	6%	0.059	11%	0.108	C	C	.	.	H	α-helix	trans	-65.7	-51	173.8	174.9	-106	0	0	0	110.9	L663 L664 Y668 T669 L670 L704 G705 C707 I708 I765	L663-Y666 WeakPolarHBondContact O-CB 3.48Å; L663-Y666 PolarHBondContact O-N 2.73Å; L663-Y666 VanDerWaalsContact O-N 3.08Å; L664-Y666 VanDerWaalsContact C-N 3.29Å; L664-Y666 PolarHBondContact O-N 2.76Å; Y666-Y668 VanDerWaalsContact C-N 3.32Å; Y666-Y668 PolarHBondContact O-N 2.92Å; Y666-T669 WeakPolarHBondContact O-CB 3.48Å; Y666-T669 PolarHBondContact O-N 3.06Å; Y666-T669 VanDerWaalsContact O-N 3.12Å; Y666-L670 HydrophobicContact CD1-CD1 4.19Å; Y666-L670 HydrophobicContact CE1-CD1 3.66Å; Y666-L670 HydrophobicContact CE1-CG 4.26Å; Y666-L670 HydrophobicContact CE2-CD2 4.25Å; Y666-L670 WeakPolarHBondContact O-CG 3.5Å; Y666-L670 PolarHBondContact O-N 2.58Å; Y666-L704 HydrophobicContact CD1-CD2 4.28Å; Y666-L704 HydrophobicContact CE1-CD2 4.13Å; Y666-L704 HydrophobicContact CE1-CG 4.03Å; Y666-L704 WeakPolarHBondContact CE1-O 3.22Å; Y666-L704 PolarHBondContact OH-O 2.88Å; Y666-G705 WeakPolarHBondContact OH-CA 3.41Å; Y666-C707 HydrophobicContact CE2-CB 4.28Å; Y666-C707 WeakPolarHBondContact OH-CB 3.28Å; Y666-C707 PolarHBondContact OH-N 2.84Å; Y666-I708 HydrophobicContact CD1-CD1 3.75Å; Y666-I708 HydrophobicContact CE1-CD1 3.61Å; Y666-I708 HydrophobicContact CE1-CG1 4Å; Y666-I765 HydrophobicContact CD2-CG2 4.28Å; Y666-I765 HydrophobicContact CG-CG2 4.1Å
667	M	98.6	Very high	97.7	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.015	12%	0.12	C	C	.	.	H	α-helix	trans	-57.9	-43.6	178	-70	-178.8	116.9	0	0	112.2	L663 L664 T669 L670 F671 L704	L663-M667 PolarHBondContact O-N 3.06Å; L664-M667 HydrophobicContact CD2-SD 4.28Å; L664-M667 PolarHBondContact O-N 3.21Å; M667-T669 VanDerWaalsContact C-N 3.3Å; M667-T669 PolarHBondContact O-N 3.33Å; M667-L670 WeakPolarHBondContact O-CA 3.41Å; M667-L670 WeakPolarHBondContact O-CB 3.49Å; M667-L670 PolarHBondContact O-N 3.08Å; M667-F671 WeakPolarHBondContact O-CD2 3.36Å; M667-F671 PolarHBondContact O-N 2.75Å; M667-F671 VanDerWaalsContact O-N 3.09Å; M667-L704 HydrophobicContact CE-CD1 3.73Å; M667-L704 HydrophobicContact CE-CD2 3.75Å; M667-L704 HydrophobicContact CE-CG 4.41Å; M667-L704 HydrophobicContact CG-CD1 4.42Å; M667-L704 HydrophobicContact CG-CD2 3.89Å; M667-L704 HydrophobicContact SD-CD2 4.39Å
668	Y	98.4	Very high	97.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.4	-36.9	177.8	-167.9	-124	0	0	0	112.4	I317 P318 Y320 L323 R552 L664 Y666 L670 F671 Y672 F809 W810 D811	I317-Y668 HydrophobicContact CG2-CD2 4.17Å; I317-Y668 HydrophobicContact CG2-CE2 3.51Å; P318-Y668 WeakPolarHBondContact O-CE2 3.39Å; Y320-Y668 AromaticContact CD2-CD1 3.58Å; Y320-Y668 HydrophobicContact CD2-CD1 3.58Å; Y320-Y668 AromaticContact CD2-CD2 3.68Å; Y320-Y668 HydrophobicContact CD2-CD2 3.68Å; Y320-Y668 AromaticContact CD2-CE1 3.78Å; Y320-Y668 HydrophobicContact CD2-CE1 3.78Å; Y320-Y668 AromaticContact CD2-CE2 3.87Å; Y320-Y668 HydrophobicContact CD2-CE2 3.87Å; Y320-Y668 AromaticContact CD2-CG 3.5Å; Y320-Y668 HydrophobicContact CD2-CG 3.5Å; Y320-Y668 VanDerWaalsContact CD2-CG 3.5Å; Y320-Y668 AromaticContact CD2-CZ 3.9Å; Y320-Y668 AromaticContact CE2-CD1 3.86Å; Y320-Y668 HydrophobicContact CE2-CD1 3.86Å; Y320-Y668 HydrophobicContact CE2-CD2 4.33Å; Y320-Y668 HydrophobicContact CE2-CE1 4.44Å; Y320-Y668 AromaticContact CE2-CG 3.77Å; Y320-Y668 HydrophobicContact CE2-CG 3.77Å; L323-Y668 HydrophobicContact CD1-CD2 3.65Å; L323-Y668 HydrophobicContact CD1-CG 4.16Å; R552-Y668 PolarHBondContact NH1-OH 3.45Å; L664-Y668 WeakPolarHBondContact O-CB 3.49Å; L664-Y668 PolarHBondContact O-N 2.88Å; Y666-Y668 VanDerWaalsContact C-N 3.32Å; Y666-Y668 PolarHBondContact O-N 2.92Å; Y668-L670 VanDerWaalsContact C-N 3.31Å; Y668-L670 PolarHBondContact O-N 2.82Å; Y668-F671 WeakPolarHBondContact O-CB 3.32Å; Y668-F671 PolarHBondContact O-N 2.78Å; Y668-Y672 PolarHBondContact O-N 3.34Å; Y668-F809 AromaticContact CD1-CD1 3.7Å; Y668-F809 HydrophobicContact CD1-CD1 3.7Å; Y668-F809 HydrophobicContact CD1-CE1 4.08Å; Y668-F809 AromaticContact CE1-CD1 3.52Å; Y668-F809 HydrophobicContact CE1-CD1 3.52Å; Y668-F809 AromaticContact CE1-CE1 3.41Å; Y668-F809 HydrophobicContact CE1-CE1 3.41Å; Y668-F809 VanDerWaalsContact CE1-CE1 3.41Å; Y668-F809 AromaticContact CZ-CE1 3.81Å; Y668-W810 HydrophobicContact CD1-CE3 4.44Å; Y668-D811 VanDerWaalsContact CE1-OD1 3.29Å; Y668-D811 WeakPolarHBondContact CE1-OD1 3.48Å; Y668-D811 PolarHBondContact OH-OD1 2.95Å; Y668-D811 PolarHBondContact OH-OD2 3.31Å
669	T	98.5	Very high	97.2	Very high	4 Å²	4	23.3 Å²	23.3	3%	0.025	11%	0.11	C	C	.	.	H	α-helix	trans	-67.6	-31.8	173	-55.5	0	0	0	0	112.2	P665 Y666 M667 Y672 R673 E807 F809	P665-T669 WeakPolarHBondContact O-CB 3.37Å; P665-T669 PolarHBondContact O-N 2.78Å; P665-T669 PolarHBondContact O-OG1 2.63Å; Y666-T669 WeakPolarHBondContact O-CB 3.48Å; Y666-T669 PolarHBondContact O-N 3.06Å; Y666-T669 VanDerWaalsContact O-N 3.12Å; M667-T669 VanDerWaalsContact C-N 3.3Å; M667-T669 PolarHBondContact O-N 3.33Å; T669-Y672 WeakPolarHBondContact O-CB 3.49Å; T669-Y672 PolarHBondContact O-N 2.95Å; T669-R673 PolarHBondContact O-N 2.9Å; T669-E807 HydrophobicContact CG2-CG 3.75Å; T669-F809 HydrophobicContact CG2-CB 4.2Å; T669-F809 PolarHBondContact OG1-N 2.7Å
670	L	98.6	Very high	97.3	Very high	17 Å²	17	21.3 Å²	21.3	9%	0.089	10%	0.099	C	C	.	.	H	α-helix	trans	-66.3	-37.3	171.3	-60.1	178.2	0	0	0	112	Y666 M667 Y668 R673 S674 V681 L704	Y666-L670 HydrophobicContact CD1-CD1 4.19Å; Y666-L670 HydrophobicContact CE1-CD1 3.66Å; Y666-L670 HydrophobicContact CE1-CG 4.26Å; Y666-L670 HydrophobicContact CE2-CD2 4.25Å; Y666-L670 WeakPolarHBondContact O-CG 3.5Å; Y666-L670 PolarHBondContact O-N 2.58Å; M667-L670 WeakPolarHBondContact O-CA 3.41Å; M667-L670 WeakPolarHBondContact O-CB 3.49Å; M667-L670 PolarHBondContact O-N 3.08Å; Y668-L670 VanDerWaalsContact C-N 3.31Å; Y668-L670 PolarHBondContact O-N 2.82Å; L670-R673 PolarHBondContact O-N 3.3Å; L670-S674 PolarHBondContact O-N 2.87Å; L670-V681 HydrophobicContact CB-CB 4.38Å; L670-V681 HydrophobicContact CB-CG1 4.11Å; L670-V681 HydrophobicContact CB-CG2 4.02Å; L670-V681 HydrophobicContact CD1-CG1 4.09Å; L670-L704 HydrophobicContact CD1-CD1 4.01Å; L670-L704 HydrophobicContact CD1-CG 3.88Å
671	F	98.5	Very high	97.3	Very high	3 Å²	3	21.2 Å²	21.2	1%	0.013	10%	0.099	C	C	.	.	H	α-helix	trans	-63.7	-40.8	172.1	-82.8	-80	0	0	0	112.2	P318 L323 P598 M599 P627 M667 Y668 R673 S674 Y675 V681	P318-F671 VanDerWaalsContact CD-CD1 3.5Å; P318-F671 HydrophobicContact CG-CB 4.42Å; P318-F671 HydrophobicContact CG-CD1 3.8Å; P318-F671 HydrophobicContact CG-CD2 4.19Å; P318-F671 HydrophobicContact CG-CE1 4.03Å; P318-F671 HydrophobicContact CG-CE2 4.43Å; P318-F671 HydrophobicContact CG-CG 3.88Å; P318-F671 HydrophobicContact CG-CZ 4.34Å; L323-F671 HydrophobicContact CD2-CD2 3.85Å; L323-F671 HydrophobicContact CD2-CE2 3.37Å; L323-F671 HydrophobicContact CD2-CZ 4.11Å; P598-F671 HydrophobicContact CB-CE1 3.96Å; P598-F671 HydrophobicContact CG-CD1 4.19Å; P598-F671 HydrophobicContact CG-CE1 3.87Å; M599-F671 HydrophobicContact CB-CE1 3.82Å; M599-F671 HydrophobicContact CB-CZ 4.02Å; M599-F671 HydrophobicContact CG-CZ 4.38Å; M599-F671 HydrophobicContact SD-CE1 4.11Å; M599-F671 HydrophobicContact SD-CE2 4.18Å; M599-F671 HydrophobicContact SD-CZ 3.47Å; M599-F671 WeakPolarHBondContact SD-CZ 3.22Å; P627-F671 HydrophobicContact CB-CE2 4.29Å; P627-F671 HydrophobicContact CB-CZ 3.87Å; M667-F671 WeakPolarHBondContact O-CD2 3.36Å; M667-F671 PolarHBondContact O-N 2.75Å; M667-F671 VanDerWaalsContact O-N 3.09Å; Y668-F671 WeakPolarHBondContact O-CB 3.32Å; Y668-F671 PolarHBondContact O-N 2.78Å; F671-R673 VanDerWaalsContact C-N 3.29Å; F671-R673 PolarHBondContact O-N 2.92Å; F671-S674 WeakPolarHBondContact O-CB 3.43Å; F671-S674 PolarHBondContact O-N 3.03Å; F671-Y675 WeakPolarHBondContact O-CB 3.3Å; F671-Y675 PolarHBondContact O-N 3.23Å; F671-V681 HydrophobicContact CD1-CG2 4.08Å; F671-V681 HydrophobicContact CD2-CG2 4.09Å; F671-V681 HydrophobicContact CE1-CG2 4.12Å; F671-V681 HydrophobicContact CE2-CG1 4.2Å; F671-V681 HydrophobicContact CE2-CG2 4.11Å; F671-V681 HydrophobicContact CG-CG2 4.07Å; F671-V681 HydrophobicContact CZ-CG2 4.14Å
672	Y	97.2	Very high	97.3	Very high	14 Å²	14	21.2 Å²	21.2	6%	0.055	10%	0.099	C	C	.	.	H	α-helix	trans	-57.9	-41.5	171.8	170	-110.3	0	0	0	112.2	I317 Y668 T669 Y675 L676 F809	I317-Y672 HydrophobicContact CD1-CD2 3.79Å; Y668-Y672 PolarHBondContact O-N 3.34Å; T669-Y672 WeakPolarHBondContact O-CB 3.49Å; T669-Y672 PolarHBondContact O-N 2.95Å; Y672-Y675 PolarHBondContact O-N 3.43Å; Y672-L676 HydrophobicContact CE1-CD2 4.26Å; Y672-L676 WeakPolarHBondContact O-CB 3.43Å; Y672-L676 PolarHBondContact O-N 3.29Å; Y672-F809 HydrophobicContact CD1-CB 3.72Å; Y672-F809 HydrophobicContact CD1-CD2 4.02Å; Y672-F809 HydrophobicContact CD1-CG 4.09Å; Y672-F809 HydrophobicContact CD2-CB 4.33Å; Y672-F809 HydrophobicContact CD2-CD1 4.49Å; Y672-F809 AromaticContact CD2-CD2 3.23Å; Y672-F809 HydrophobicContact CD2-CD2 3.23Å; Y672-F809 AromaticContact CD2-CE2 3.49Å; Y672-F809 HydrophobicContact CD2-CE2 3.49Å; Y672-F809 VanDerWaalsContact CD2-CE2 3.49Å; Y672-F809 AromaticContact CD2-CG 3.78Å; Y672-F809 HydrophobicContact CD2-CG 3.78Å; Y672-F809 HydrophobicContact CD2-CZ 4.27Å; Y672-F809 HydrophobicContact CE1-CB 4.48Å; Y672-F809 HydrophobicContact CE1-CD2 4.33Å; Y672-F809 AromaticContact CE2-CD2 3.62Å; Y672-F809 HydrophobicContact CE2-CD2 3.62Å; Y672-F809 AromaticContact CE2-CE2 3.84Å; Y672-F809 HydrophobicContact CE2-CE2 3.84Å; Y672-F809 HydrophobicContact CG-CB 3.62Å; Y672-F809 HydrophobicContact CG-CD1 4.28Å; Y672-F809 AromaticContact CG-CD2 3.44Å; Y672-F809 HydrophobicContact CG-CD2 3.44Å; Y672-F809 VanDerWaalsContact CG-CD2 3.44Å; Y672-F809 HydrophobicContact CG-CE2 4.14Å; Y672-F809 AromaticContact CG-CG 3.52Å; Y672-F809 HydrophobicContact CG-CG 3.52Å
673	R	97.4	Very high	97.3	Very high	66 Å²	66	19.7 Å²	19.7	25%	0.249	9%	0.091	C	C	.	.	H	α-helix	trans	-66.5	-41.1	174.5	-69.8	-58	-163.8	174.4	1.1	112.3	T669 L670 F671 Y675 L676 N677 T679 E807	T669-R673 PolarHBondContact O-N 2.9Å; L670-R673 PolarHBondContact O-N 3.3Å; F671-R673 VanDerWaalsContact C-N 3.29Å; F671-R673 PolarHBondContact O-N 2.92Å; R673-Y675 VanDerWaalsContact C-N 3.3Å; R673-Y675 PolarHBondContact O-N 2.95Å; R673-L676 PolarHBondContact O-N 2.86Å; R673-N677 PolarHBondContact O-N 3.15Å; R673-N677 PolarHBondContact O-OD1 3.29Å; R673-T679 VanDerWaalsContact CB-OG1 3.26Å; R673-T679 WeakPolarHBondContact CB-OG1 3.4Å; R673-T679 PolarHBondContact O-OG1 3.2Å; R673-E807 IonicContact CZ-OE1 3.3Å; R673-E807 IonicContact CZ-OE2 3.35Å; R673-E807 IonicContact NE-OE1 3.77Å; R673-E807 PolarHBondContact NE-OE1 2.86Å; R673-E807 IonicContact NE-OE2 2.7Å; R673-E807 PolarHBondContact NE-OE2 2.81Å; R673-E807 VanDerWaalsContact NE-OE2 3.1Å; R673-E807 IonicContact NH2-OE1 3.1Å; R673-E807 PolarHBondContact NH2-OE1 3.39Å; R673-E807 IonicContact NH2-OE2 3.09Å; R673-E807 PolarHBondContact NH2-OE2 3.15Å
674	S	97.8	Very high	97.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-57.5	-44.7	174	-156.1	0	0	0	0	112.4	L670 F671 G678 T679	L670-S674 PolarHBondContact O-N 2.87Å; F671-S674 WeakPolarHBondContact O-CB 3.43Å; F671-S674 PolarHBondContact O-N 3.03Å; S674-G678 WeakPolarHBondContact O-CA 3.37Å; S674-G678 PolarHBondContact O-N 2.69Å; S674-G678 VanDerWaalsContact O-N 3.07Å; S674-T679 WeakPolarHBondContact CA-O 3.16Å; S674-T679 WeakPolarHBondContact CB-O 3.46Å; S674-T679 PolarHBondContact OG-O 2.9Å
675	Y	96.6	Very high	97.3	Very high	94 Å²	94	19.2 Å²	19.2	37%	0.369	9%	0.089	S	C	.	.	H	α-helix	trans	-62.1	-45.5	174.2	170.5	-106.3	0	0	0	112.5	H314 P315 I317 F671 Y672 R673 L818	H314-Y675 VanDerWaalsContact CB-O 3.29Å; H314-Y675 WeakPolarHBondContact CB-O 3.37Å; H314-Y675 PolarHBondContact ND1-O 2.81Å; P315-Y675 WeakPolarHBondContact O-CA 3.16Å; P315-Y675 WeakPolarHBondContact O-CB 3.37Å; I317-Y675 HydrophobicContact CD1-CD1 4.18Å; I317-Y675 HydrophobicContact CD1-CG 4.48Å; I317-Y675 HydrophobicContact CG1-CD1 4.18Å; I317-Y675 HydrophobicContact CG1-CG 3.98Å; F671-Y675 WeakPolarHBondContact O-CB 3.3Å; F671-Y675 PolarHBondContact O-N 3.23Å; Y672-Y675 PolarHBondContact O-N 3.43Å; R673-Y675 VanDerWaalsContact C-N 3.3Å; R673-Y675 PolarHBondContact O-N 2.95Å; Y675-L818 HydrophobicContact CE1-CD1 3.78Å
676	L	95	Very high	97.3	Very high	86 Å²	86	19.3 Å²	19.3	45%	0.45	9%	0.089	S	C	.	.	H	α-helix	trans	-76	-41.7	-173	-175	65.7	0	0	0	113.6	Y672 R673	Y672-L676 HydrophobicContact CE1-CD2 4.26Å; Y672-L676 WeakPolarHBondContact O-CB 3.43Å; Y672-L676 PolarHBondContact O-N 3.29Å; R673-L676 PolarHBondContact O-N 2.86Å
677	N	93.7	Very high	97.3	Very high	59 Å²	59	18.8 Å²	18.8	32%	0.316	9%	0.088	S	C	.	.	H	α-helix	trans	-145.1	27.6	-168.2	71.5	-0.8	0	0	0	114.4	N306 R673 T679	N306-N677 PolarHBondContact OD1-O 3.31Å; R673-N677 PolarHBondContact O-N 3.15Å; R673-N677 PolarHBondContact O-OD1 3.29Å; N677-T679 PolarHBondContact O-N 3.18Å; N677-T679 WeakPolarHBondContact OD1-CG2 3.39Å; N677-T679 PolarHBondContact OD1-OG1 2.7Å
678	G	93.4	Very high	97.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.095	C	C	.	.			trans	60.1	23.4	170	0	0	0	0	0	115.1	N306 H314 S674	N306-G678 WeakPolarHBondContact OD1-CA 3.34Å; N306-G678 PolarHBondContact OD1-N 3.46Å; H314-G678 PolarHBondContact CE1-N 2.74Å; S674-G678 WeakPolarHBondContact O-CA 3.37Å; S674-G678 PolarHBondContact O-N 2.69Å; S674-G678 VanDerWaalsContact O-N 3.07Å
679	T	93.8	Very high	97.2	Very high	26 Å²	26	21.4 Å²	21.4	16%	0.16	10%	0.1	C	C	.	.			trans	-77.6	155.8	173.2	49.4	0	0	0	0	111.1	R673 S674 N677	R673-T679 VanDerWaalsContact CB-OG1 3.26Å; R673-T679 WeakPolarHBondContact CB-OG1 3.4Å; R673-T679 PolarHBondContact O-OG1 3.2Å; S674-T679 WeakPolarHBondContact CA-O 3.16Å; S674-T679 WeakPolarHBondContact CB-O 3.46Å; S674-T679 PolarHBondContact OG-O 2.9Å; N677-T679 PolarHBondContact O-N 3.18Å; N677-T679 WeakPolarHBondContact OD1-CG2 3.39Å; N677-T679 PolarHBondContact OD1-OG1 2.7Å
680	T	97.8	Very high	97.2	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	10%	0.099	C	C	.	.			trans	-90.9	149.8	-177.3	50.1	0	0	0	0	111.9	L302 I305 N593 R683	L302-T680 HydrophobicContact CD2-CG2 4.48Å; I305-T680 HydrophobicContact CD1-CG2 4.01Å; I305-T680 HydrophobicContact CG2-CG2 3.94Å; N593-T680 HydrophobicContact CB-CG2 4.2Å; N593-T680 WeakPolarHBondContact O-CG2 3.46Å; T680-R683 PolarHBondContact O-NH2 3.3Å; T680-R683 VanDerWaalsContact OG1-CB 3.31Å; T680-R683 WeakPolarHBondContact OG1-CB 3.31Å; T680-R683 PolarHBondContact OG1-NE 3.47Å
681	V	98.7	Very high	97.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-81.1	-54.4	175.5	176.2	0	0	0	0	109.8	N593 P598 P627 L670 F671 L704 G705	N593-V681 WeakPolarHBondContact OD1-CA 3.24Å; N593-V681 PolarHBondContact OD1-N 3.2Å; P598-V681 HydrophobicContact CB-CB 4.19Å; P598-V681 HydrophobicContact CB-CG2 3.72Å; P627-V681 HydrophobicContact CB-CG1 4.28Å; P627-V681 HydrophobicContact CG-CB 4.34Å; P627-V681 HydrophobicContact CG-CG1 3.95Å; L670-V681 HydrophobicContact CB-CB 4.38Å; L670-V681 HydrophobicContact CB-CG1 4.11Å; L670-V681 HydrophobicContact CB-CG2 4.02Å; L670-V681 HydrophobicContact CD1-CG1 4.09Å; F671-V681 HydrophobicContact CD1-CG2 4.08Å; F671-V681 HydrophobicContact CD2-CG2 4.09Å; F671-V681 HydrophobicContact CE1-CG2 4.12Å; F671-V681 HydrophobicContact CE2-CG1 4.2Å; F671-V681 HydrophobicContact CE2-CG2 4.11Å; F671-V681 HydrophobicContact CG-CG2 4.07Å; F671-V681 HydrophobicContact CZ-CG2 4.14Å; V681-L704 HydrophobicContact CG1-CD1 3.86Å; V681-G705 PolarHBondContact O-N 3.37Å
682	A	98.6	Very high	97.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.3	170.9	0	0	0	0	0	109.9	I589 N593 P627 F702 M703	I589-A682 HydrophobicContact CG2-CB 3.65Å; N593-A682 WeakPolarHBondContact CB-O 3.41Å; N593-A682 PolarHBondContact OD1-N 3.3Å; N593-A682 PolarHBondContact OD1-O 2.95Å; P627-A682 HydrophobicContact CG-CB 4.23Å; A682-F702 HydrophobicContact CB-CD2 3.91Å; A682-F702 HydrophobicContact CB-CE2 4.17Å; A682-M703 CarbonylContact C-O 3.53Å; A682-M703 WeakPolarHBondContact CA-O 3.37Å
683	R	98.1	Very high	97	Very high	15 Å²	15	31 Å²	31	6%	0.057	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	151.2	-173.1	67.1	-174.6	68.1	162.3	1.1	113.7	L302 T680 F687 E688 F702 M703	L302-R683 VanDerWaalsContact CD1-NH1 3.34Å; T680-R683 PolarHBondContact O-NH2 3.3Å; T680-R683 VanDerWaalsContact OG1-CB 3.31Å; T680-R683 WeakPolarHBondContact OG1-CB 3.31Å; T680-R683 PolarHBondContact OG1-NE 3.47Å; R683-F687 HydrophobicContact CB-CB 4.39Å; R683-F687 HydrophobicContact CB-CD2 4.06Å; R683-E688 IonicContact CZ-OE2 2.63Å; R683-E688 IonicContact NH1-OE2 3.48Å; R683-E688 PolarHBondContact NH1-OE2 2.97Å; R683-F702 WeakPolarHBondContact O-CA 3.26Å; R683-F702 WeakPolarHBondContact O-CB 3.32Å; R683-M703 HydrophobicContact CG-CB 3.79Å; R683-M703 PolarHBondContact N-O 2.85Å; R683-M703 PolarHBondContact O-N 3.47Å
684	A	98.3	Very high	97	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.008	15%	0.149	C	C	.	.			trans	-60.9	148.1	169.8	0	0	0	0	0	110.6	F220 I590 A686 F687	F220-A684 HydrophobicContact CE1-CB 4.38Å; F220-A684 HydrophobicContact CZ-CB 4.19Å; I590-A684 HydrophobicContact CD1-CB 4.38Å; I590-A684 HydrophobicContact CG2-CB 4.01Å; A684-A686 PolarHBondContact O-N 3.13Å; A684-F687 HydrophobicContact CB-CD1 4.03Å; A684-F687 HydrophobicContact CB-CD2 4.11Å; A684-F687 HydrophobicContact CB-CE1 4.01Å; A684-F687 HydrophobicContact CB-CE2 4.1Å; A684-F687 HydrophobicContact CB-CG 4.06Å; A684-F687 HydrophobicContact CB-CZ 4.04Å; A684-F687 WeakPolarHBondContact O-CB 3.25Å; A684-F687 PolarHBondContact O-N 3.45Å
685	L	98.4	Very high	97	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.2	-35.7	173.2	-81.5	65.7	0	0	0	111.1	F687 E688 F689 T695 V698 Q701 M703 L709 Y724 P726	L685-F687 PolarHBondContact O-N 2.93Å; L685-F687 VanDerWaalsContact O-N 3.14Å; L685-E688 PolarHBondContact O-N 3.47Å; L685-E688 VanDerWaalsContact O-N 3.14Å; L685-F689 PolarHBondContact O-N 2.96Å; L685-T695 HydrophobicContact CB-CG2 4.06Å; L685-V698 HydrophobicContact CD1-CG1 4.27Å; L685-V698 HydrophobicContact CD2-CG1 4.21Å; L685-V698 HydrophobicContact CD2-CG2 4.49Å; L685-Q701 HydrophobicContact CD1-CB 3.91Å; L685-M703 HydrophobicContact CD1-CG 4.21Å; L685-M703 HydrophobicContact CG-CG 4.25Å; L685-L709 HydrophobicContact CD1-CD1 3.77Å; L685-L709 HydrophobicContact CD2-CD1 4Å; L685-L709 HydrophobicContact CG-CD1 4.1Å; L685-Y724 HydrophobicContact CD2-CD1 4.39Å; L685-P726 HydrophobicContact CD2-CG 4.09Å
686	A	98	Very high	97	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.008	13%	0.132	C	C	.	.	H	α-helix	trans	-61.3	-18.8	176.2	0	0	0	0	0	114.4	F211 L255 A684 P690 T695	F211-A686 HydrophobicContact CZ-CB 4.17Å; L255-A686 HydrophobicContact CD2-CB 3.99Å; A684-A686 PolarHBondContact O-N 3.13Å; A686-P690 VanDerWaalsContact O-CA 3.23Å; A686-P690 WeakPolarHBondContact O-CA 3.49Å; A686-P690 VanDerWaalsContact O-CB 3.3Å; A686-P690 WeakPolarHBondContact O-CB 3.14Å; A686-T695 WeakPolarHBondContact CA-OG1 3.31Å
687	F	98	Very high	97	Very high	5 Å²	5	27.9 Å²	27.9	2%	0.022	14%	0.14	C	C	.	.	H	α-helix	trans	-86	-31.1	178.1	-57.4	-9.3	0	0	0	111.4	F211 M253 P301 L302 I305 I590 M594 R683 A684 L685	F211-F687 HydrophobicContact CB-CZ 4.42Å; F211-F687 AromaticContact CD1-CE1 3.61Å; F211-F687 HydrophobicContact CD1-CE1 3.61Å; F211-F687 AromaticContact CD1-CZ 3.63Å; F211-F687 HydrophobicContact CD1-CZ 3.63Å; F211-F687 AromaticContact CD2-CE1 3.99Å; F211-F687 HydrophobicContact CD2-CE1 3.99Å; F211-F687 AromaticContact CE1-CE1 3.52Å; F211-F687 HydrophobicContact CE1-CE1 3.52Å; F211-F687 AromaticContact CE1-CZ 3.95Å; F211-F687 HydrophobicContact CE1-CZ 3.95Å; F211-F687 AromaticContact CE2-CE1 3.94Å; F211-F687 HydrophobicContact CE2-CE1 3.94Å; F211-F687 AromaticContact CG-CE1 3.85Å; F211-F687 HydrophobicContact CG-CE1 3.85Å; F211-F687 AromaticContact CG-CZ 3.95Å; F211-F687 HydrophobicContact CG-CZ 3.95Å; F211-F687 AromaticContact CZ-CE1 3.71Å; F211-F687 HydrophobicContact CZ-CE1 3.71Å; M253-F687 HydrophobicContact CE-CD1 3.83Å; M253-F687 HydrophobicContact CE-CE1 3.24Å; M253-F687 HydrophobicContact CE-CE2 4.26Å; M253-F687 HydrophobicContact CE-CZ 3.5Å; P301-F687 HydrophobicContact CB-CB 4.12Å; P301-F687 HydrophobicContact CB-CD1 3.85Å; P301-F687 HydrophobicContact CB-CG 4.16Å; P301-F687 HydrophobicContact CG-CD1 4.46Å; L302-F687 HydrophobicContact CD2-CB 4.12Å; L302-F687 HydrophobicContact CG-CB 4.36Å; I305-F687 HydrophobicContact CD1-CD2 3.98Å; I305-F687 HydrophobicContact CD1-CE2 4.05Å; I590-F687 HydrophobicContact CG2-CE2 3.96Å; I590-F687 HydrophobicContact CG2-CZ 4.38Å; M594-F687 HydrophobicContact SD-CZ 4.43Å; R683-F687 HydrophobicContact CB-CB 4.39Å; R683-F687 HydrophobicContact CB-CD2 4.06Å; A684-F687 HydrophobicContact CB-CD1 4.03Å; A684-F687 HydrophobicContact CB-CD2 4.11Å; A684-F687 HydrophobicContact CB-CE1 4.01Å; A684-F687 HydrophobicContact CB-CE2 4.1Å; A684-F687 HydrophobicContact CB-CG 4.06Å; A684-F687 HydrophobicContact CB-CZ 4.04Å; A684-F687 WeakPolarHBondContact O-CB 3.25Å; A684-F687 PolarHBondContact O-N 3.45Å; L685-F687 PolarHBondContact O-N 2.93Å; L685-F687 VanDerWaalsContact O-N 3.14Å
688	E	97.6	Very high	97.2	Very high	38 Å²	38	25.2 Å²	25.2	18%	0.178	13%	0.127	C	C	.	.	H	α-helix	trans	-87.9	-34.4	179.2	-171.8	62.8	-156.3	0	0	112.3	R683 L685 P690 M703 S706 R760	R683-E688 IonicContact CZ-OE2 2.63Å; R683-E688 IonicContact NH1-OE2 3.48Å; R683-E688 PolarHBondContact NH1-OE2 2.97Å; L685-E688 PolarHBondContact O-N 3.47Å; L685-E688 VanDerWaalsContact O-N 3.14Å; E688-P690 WeakPolarHBondContact O-CD 3.27Å; E688-M703 HydrophobicContact CB-CG 4.32Å; E688-S706 WeakPolarHBondContact OE1-CB 3.35Å; E688-R760 IonicContact OE1-NH1 3.37Å; E688-R760 PolarHBondContact OE1-NH1 3.33Å
689	F	98	Very high	97.2	Very high	20 Å²	20	28.7 Å²	28.7	9%	0.088	15%	0.145	C	C	.	.	S	Bend	trans	-125.8	56.1	-177.5	-53	-82.3	0	0	0	111.2	L685 E691 D692 T695 M703 P726 W730	L685-F689 PolarHBondContact O-N 2.96Å; F689-E691 PolarHBondContact O-N 2.92Å; F689-D692 HydrophobicContact CB-CB 4.28Å; F689-D692 WeakPolarHBondContact O-CB 3.38Å; F689-D692 PolarHBondContact O-N 3.38Å; F689-T695 HydrophobicContact CB-CG2 4.12Å; F689-T695 PolarHBondContact O-OG1 2.79Å; F689-T695 VanDerWaalsContact O-OG1 3.11Å; F689-M703 HydrophobicContact CE2-CE 4.29Å; F689-M703 HydrophobicContact CE2-CG 4.31Å; F689-M703 HydrophobicContact CE2-SD 4.09Å; F689-P726 HydrophobicContact CD1-CB 3.82Å; F689-P726 HydrophobicContact CD1-CG 4.39Å; F689-P726 HydrophobicContact CD2-CB 3.88Å; F689-P726 HydrophobicContact CD2-CG 3.5Å; F689-P726 HydrophobicContact CE1-CB 3.89Å; F689-P726 HydrophobicContact CE1-CG 4.42Å; F689-P726 HydrophobicContact CE2-CB 3.97Å; F689-P726 HydrophobicContact CE2-CG 3.58Å; F689-P726 HydrophobicContact CG-CB 3.81Å; F689-P726 HydrophobicContact CG-CG 3.94Å; F689-P726 HydrophobicContact CZ-CB 3.97Å; F689-P726 HydrophobicContact CZ-CG 4.05Å; F689-W730 HydrophobicContact CE2-CH2 4.46Å; F689-W730 HydrophobicContact CZ-CH2 4.03Å; F689-W730 HydrophobicContact CZ-CZ2 4.06Å
690	P	97.8	Very high	97.4	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.019	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-22.3	-171.4	27.9	-35.3	0	0	0	113.7	L255 G259 P301 A686 E688 D692 H696	L255-P690 HydrophobicContact CD1-CB 4.28Å; G259-P690 WeakPolarHBondContact CA-O 3.4Å; G259-P690 WeakPolarHBondContact O-CB 3.31Å; P301-P690 HydrophobicContact CG-CB 3.95Å; A686-P690 VanDerWaalsContact O-CA 3.23Å; A686-P690 WeakPolarHBondContact O-CA 3.49Å; A686-P690 VanDerWaalsContact O-CB 3.3Å; A686-P690 WeakPolarHBondContact O-CB 3.14Å; E688-P690 WeakPolarHBondContact O-CD 3.27Å; P690-D692 VanDerWaalsContact C-N 3.25Å; P690-D692 PolarHBondContact O-N 3.03Å; P690-H696 PolarHBondContact O-CE1 3.47Å; P690-H696 PolarHBondContact O-NE2 3.37Å
691	E	97	Very high	97.4	Very high	110 Å²	110	29.5 Å²	29.5	51%	0.514	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-14.7	176.8	-57.4	82.4	179.6	0	0	112.6	K300 F689 L693	K300-E691 IonicContact NZ-OE1 2.69Å; F689-E691 PolarHBondContact O-N 2.92Å; E691-L693 PolarHBondContact O-N 3.44Å
692	D	97.4	Very high	97.4	Very high	37 Å²	37	29.5 Å²	29.5	20%	0.198	15%	0.154	C	C	.	.			trans	-89.8	101	176.7	-174.9	-17.7	0	0	0	110.7	F689 P690 A694 T695 H696 Y724	F689-D692 HydrophobicContact CB-CB 4.28Å; F689-D692 WeakPolarHBondContact O-CB 3.38Å; F689-D692 PolarHBondContact O-N 3.38Å; P690-D692 VanDerWaalsContact C-N 3.25Å; P690-D692 PolarHBondContact O-N 3.03Å; D692-A694 PolarHBondContact O-N 2.77Å; D692-A694 VanDerWaalsContact O-N 3.1Å; D692-A694 WeakPolarHBondContact OD1-CB 3.25Å; D692-A694 PolarHBondContact OD1-N 3.29Å; D692-A694 VanDerWaalsContact OD1-N 3.1Å; D692-T695 HydrophobicContact CB-CG2 3.82Å; D692-T695 WeakPolarHBondContact O-CB 3.29Å; D692-T695 PolarHBondContact O-N 2.91Å; D692-T695 PolarHBondContact O-OG1 2.93Å; D692-H696 PolarHBondContact O-CD2 3.49Å; D692-Y724 PolarHBondContact OD1-OH 2.85Å; D692-Y724 VanDerWaalsContact OD1-OH 3.09Å; D692-Y724 VanDerWaalsContact OD2-CE1 3.3Å; D692-Y724 WeakPolarHBondContact OD2-CE1 3.33Å; D692-Y724 PolarHBondContact OD2-OH 3.29Å
693	L	96.3	Very high	97.4	Very high	89 Å²	89	29.5 Å²	29.5	47%	0.466	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.8	-176.7	-70.3	-178.7	0	0	0	114.7	Y257 E691 T695 H696	Y257-L693 HydrophobicContact CD1-CD2 3.8Å; Y257-L693 WeakPolarHBondContact O-CD2 3.45Å; E691-L693 PolarHBondContact O-N 3.44Å; L693-T695 VanDerWaalsContact C-N 3.29Å; L693-H696 WeakPolarHBondContact O-CB 3.35Å; L693-H696 PolarHBondContact O-N 3.01Å
694	A	96.6	Very high	97.4	Very high	32 Å²	32	28.8 Å²	28.8	26%	0.264	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-32.6	-180	0	0	0	0	0	111.1	D692 H696 K697 Y724	D692-A694 PolarHBondContact O-N 2.77Å; D692-A694 VanDerWaalsContact O-N 3.1Å; D692-A694 WeakPolarHBondContact OD1-CB 3.25Å; D692-A694 PolarHBondContact OD1-N 3.29Å; D692-A694 VanDerWaalsContact OD1-N 3.1Å; A694-H696 PolarHBondContact O-N 3.08Å; A694-K697 PolarHBondContact O-N 2.88Å; A694-Y724 HydrophobicContact CB-CD2 4.11Å; A694-Y724 HydrophobicContact CB-CE1 3.97Å; A694-Y724 HydrophobicContact CB-CE2 3.45Å; A694-Y724 VanDerWaalsContact CB-CE2 3.45Å
695	T	97.9	Very high	97.4	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-66	-23.6	179.2	71.3	0	0	0	0	112.9	L685 A686 F689 D692 L693 K697 V698 Y724 P726	L685-T695 HydrophobicContact CB-CG2 4.06Å; A686-T695 WeakPolarHBondContact CA-OG1 3.31Å; F689-T695 HydrophobicContact CB-CG2 4.12Å; F689-T695 PolarHBondContact O-OG1 2.79Å; F689-T695 VanDerWaalsContact O-OG1 3.11Å; D692-T695 HydrophobicContact CB-CG2 3.82Å; D692-T695 WeakPolarHBondContact O-CB 3.29Å; D692-T695 PolarHBondContact O-N 2.91Å; D692-T695 PolarHBondContact O-OG1 2.93Å; L693-T695 VanDerWaalsContact C-N 3.29Å; T695-K697 PolarHBondContact O-N 2.99Å; T695-V698 PolarHBondContact O-N 2.76Å; T695-V698 VanDerWaalsContact O-N 3.12Å; T695-Y724 HydrophobicContact CG2-CD1 3.94Å; T695-Y724 HydrophobicContact CG2-CE1 3.69Å; T695-P726 HydrophobicContact CG2-CG 4.42Å
696	H	96.6	Very high	97.3	Very high	4 Å²	4	31 Å²	31	2%	0.019	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-65.7	-7.9	-179.7	-64.2	-165.6	0	0	0	113.9	Q208 K209 P221 L255 K256 P690 D692 L693 A694	Q208-H696 PolarHBondContact NE2-CE1 3.11Å; Q208-H696 VanDerWaalsContact NE2-CE1 3.27Å; Q208-H696 PolarHBondContact NE2-ND1 3.47Å; K209-H696 HydrophobicContact CG-CB 4.23Å; K209-H696 WeakPolarHBondContact CG-O 3.21Å; P221-H696 WeakPolarHBondContact CG-O 3.35Å; L255-H696 HydrophobicContact CD2-CB 4.42Å; K256-H696 PolarHBondContact O-CE1 3Å; P690-H696 PolarHBondContact O-CE1 3.47Å; P690-H696 PolarHBondContact O-NE2 3.37Å; D692-H696 PolarHBondContact O-CD2 3.49Å; L693-H696 WeakPolarHBondContact O-CB 3.35Å; L693-H696 PolarHBondContact O-N 3.01Å; A694-H696 PolarHBondContact O-N 3.08Å
697	K	95.2	Very high	97.3	Very high	143 Å²	143	31.4 Å²	31.4	62%	0.622	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-117.7	-3.7	178.5	-60.4	178.2	-173.8	174.6	0	112.7	A694 T695 N699	A694-K697 PolarHBondContact O-N 2.88Å; T695-K697 PolarHBondContact O-N 2.99Å; K697-N699 PolarHBondContact O-N 2.79Å
698	V	97.1	Very high	97.4	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.024	17%	0.168	C	C	.	.			trans	-75	125.4	-177.2	177.8	0	0	0	0	109.7	L685 T695 Q701 Y724 W745	L685-V698 HydrophobicContact CD1-CG1 4.27Å; L685-V698 HydrophobicContact CD2-CG1 4.21Å; L685-V698 HydrophobicContact CD2-CG2 4.49Å; T695-V698 PolarHBondContact O-N 2.76Å; T695-V698 VanDerWaalsContact O-N 3.12Å; V698-Q701 HydrophobicContact CG1-CB 3.8Å; V698-Q701 HydrophobicContact CG1-CG 4.27Å; V698-Y724 HydrophobicContact CG2-CG 4.4Å; V698-W745 HydrophobicContact CG2-CH2 4.13Å; V698-W745 HydrophobicContact CG2-CZ2 4.38Å
699	N	94.7	Very high	97.4	Very high	73 Å²	73	29.4 Å²	29.4	39%	0.39	16%	0.16	S	C	.	.			trans	-134.1	-6.2	-178.8	63	2.1	0	0	0	114	F220 V587 K697	F220-N699 HydrophobicContact CB-CB 4.46Å; F220-N699 HydrophobicContact CD1-CB 3.77Å; F220-N699 VanDerWaalsContact O-CB 3.3Å; F220-N699 WeakPolarHBondContact O-CB 3.41Å; F220-N699 PolarHBondContact O-ND2 3.5Å; F220-N699 VanDerWaalsContact O-ND2 3.14Å; V587-N699 HydrophobicContact CG2-CB 4.45Å; K697-N699 PolarHBondContact O-N 2.79Å
700	A	97.2	Very high	97.4	Very high	40 Å²	40	28.4 Å²	28.4	33%	0.331	16%	0.156	S	C	.	.	S	Bend	trans	-107.1	11.5	-179.8	0	0	0	0	0	112.8	P712 L714	A700-P712 WeakPolarHBondContact O-CD 3.07Å; A700-L714 HydrophobicContact CB-CD1 3.82Å
701	Q	98.4	Very high	97.5	Very high	3 Å²	3	28.3 Å²	28.3	1%	0.014	16%	0.155	C	C	.	.			trans	-143.4	156.5	177.5	-60.9	171.4	-86.8	0	0	109.2	L685 V698 L709 V710 T711 Y724	L685-Q701 HydrophobicContact CD1-CB 3.91Å; V698-Q701 HydrophobicContact CG1-CB 3.8Å; V698-Q701 HydrophobicContact CG1-CG 4.27Å; Q701-L709 HydrophobicContact CB-CD1 4.27Å; Q701-V710 WeakPolarHBondContact CA-O 3.34Å; Q701-V710 WeakPolarHBondContact CB-O 3.37Å; Q701-T711 HydrophobicContact CG-CG2 4.06Å; Q701-T711 PolarHBondContact NE2-OG1 3.3Å; Q701-Y724 PolarHBondContact NE2-O 3.5Å; Q701-Y724 PolarHBondContact OE1-O 3.49Å
702	F	98.6	Very high	97.5	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	159.4	171.4	66.8	-81.2	0	0	0	111	V586 I590 L622 F625 A682 R683 L704 V710	V586-F702 HydrophobicContact CG1-CD1 4.05Å; I590-F702 HydrophobicContact CD1-CB 4.04Å; I590-F702 HydrophobicContact CG1-CB 4.16Å; L622-F702 HydrophobicContact CD1-CE1 3.69Å; L622-F702 HydrophobicContact CD1-CZ 4.34Å; F625-F702 HydrophobicContact CB-CE2 4.25Å; F625-F702 HydrophobicContact CB-CZ 3.67Å; A682-F702 HydrophobicContact CB-CD2 3.91Å; A682-F702 HydrophobicContact CB-CE2 4.17Å; R683-F702 WeakPolarHBondContact O-CA 3.26Å; R683-F702 WeakPolarHBondContact O-CB 3.32Å; F702-L704 HydrophobicContact CE2-CB 4.5Å; F702-V710 HydrophobicContact CD1-CB 4.12Å; F702-V710 HydrophobicContact CD2-CG2 4.44Å; F702-V710 HydrophobicContact CE1-CB 3.73Å; F702-V710 HydrophobicContact CE1-CG1 3.76Å; F702-V710 HydrophobicContact CE1-CG2 4.21Å; F702-V710 HydrophobicContact CE2-CB 4.29Å; F702-V710 HydrophobicContact CE2-CG2 3.9Å; F702-V710 HydrophobicContact CZ-CB 3.84Å; F702-V710 HydrophobicContact CZ-CG1 3.95Å; F702-V710 HydrophobicContact CZ-CG2 3.78Å; F702-V710 PolarHBondContact N-O 3.37Å; F702-V710 PolarHBondContact O-N 3.42Å
703	M	98.7	Very high	97.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	134.1	168.3	-63.2	-65.3	-61.3	0	0	109.1	A682 R683 L685 E688 F689 G705 S706 I708 L709 W730	A682-M703 CarbonylContact C-O 3.53Å; A682-M703 WeakPolarHBondContact CA-O 3.37Å; R683-M703 HydrophobicContact CG-CB 3.79Å; R683-M703 PolarHBondContact N-O 2.85Å; R683-M703 PolarHBondContact O-N 3.47Å; L685-M703 HydrophobicContact CD1-CG 4.21Å; L685-M703 HydrophobicContact CG-CG 4.25Å; E688-M703 HydrophobicContact CB-CG 4.32Å; F689-M703 HydrophobicContact CE2-CE 4.29Å; F689-M703 HydrophobicContact CE2-CG 4.31Å; F689-M703 HydrophobicContact CE2-SD 4.09Å; M703-G705 WeakPolarHBondContact CB-O 3.33Å; M703-S706 WeakPolarHBondContact CE-O 3.37Å; M703-I708 CarbonylContact C-O 3.56Å; M703-I708 VanDerWaalsContact CA-O 3.3Å; M703-I708 WeakPolarHBondContact CA-O 3.2Å; M703-L709 HydrophobicContact CE-CB 4.46Å; M703-L709 HydrophobicContact SD-CB 3.68Å; M703-L709 HydrophobicContact SD-CD1 3.72Å; M703-L709 HydrophobicContact SD-CG 4.26Å; M703-W730 HydrophobicContact CE-CH2 4.03Å; M703-W730 HydrophobicContact CE-CZ3 4.27Å; M703-W730 HydrophobicContact SD-CH2 4.3Å
704	L	98.5	Very high	97.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	106.2	163.6	-177.8	72.9	0	0	0	107.6	F625 Y666 M667 L670 V681 F702 I708	F625-L704 HydrophobicContact CD1-CD2 4.35Å; Y666-L704 HydrophobicContact CD1-CD2 4.28Å; Y666-L704 HydrophobicContact CE1-CD2 4.13Å; Y666-L704 HydrophobicContact CE1-CG 4.03Å; Y666-L704 WeakPolarHBondContact CE1-O 3.22Å; Y666-L704 PolarHBondContact OH-O 2.88Å; M667-L704 HydrophobicContact CE-CD1 3.73Å; M667-L704 HydrophobicContact CE-CD2 3.75Å; M667-L704 HydrophobicContact CE-CG 4.41Å; M667-L704 HydrophobicContact CG-CD1 4.42Å; M667-L704 HydrophobicContact CG-CD2 3.89Å; M667-L704 HydrophobicContact SD-CD2 4.39Å; L670-L704 HydrophobicContact CD1-CD1 4.01Å; L670-L704 HydrophobicContact CD1-CG 3.88Å; V681-L704 HydrophobicContact CG1-CD1 3.86Å; F702-L704 HydrophobicContact CE2-CB 4.5Å; L704-I708 HydrophobicContact CB-CB 4.19Å; L704-I708 HydrophobicContact CD2-CD1 4.33Å; L704-I708 PolarHBondContact N-O 3.26Å; L704-I708 PolarHBondContact O-N 3.45Å
705	G	97.8	Very high	97.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	-142.4	-164.7	0	0	0	0	0	111.8	Y666 V681 M703	Y666-G705 WeakPolarHBondContact OH-CA 3.41Å; V681-G705 PolarHBondContact O-N 3.37Å; M703-G705 WeakPolarHBondContact CB-O 3.33Å
706	S	96.8	Very high	97.7	Very high	46 Å²	46	25.4 Å²	25.4	32%	0.322	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-8.3	177.9	54.7	0	0	0	0	113.9	E688 M703 R760	E688-S706 WeakPolarHBondContact OE1-CB 3.35Å; M703-S706 WeakPolarHBondContact CE-O 3.37Å; S706-R760 WeakPolarHBondContact O-CD 3.18Å
707	C	98	Very high	97.8	Very high	10 Å²	10	27.9 Å²	27.9	7%	0.068	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-33.1	-167.9	-67.3	0	0	0	0	115.2	Y666 I759 R760 C763 I765	Y666-C707 HydrophobicContact CE2-CB 4.28Å; Y666-C707 WeakPolarHBondContact OH-CB 3.28Å; Y666-C707 PolarHBondContact OH-N 2.84Å; C707-I759 CarbonylContact O-C 3.5Å; C707-I759 WeakPolarHBondContact O-CA 3.39Å; C707-R760 PolarHBondContact O-N 3.16Å; C707-C763 VanDerWaalsContact CA-SG 3.52Å; C707-C763 HydrophobicContact CB-CB 3.67Å; C707-C763 WeakPolarHBondContact CB-SG 3.35Å; C707-C763 WeakPolarHBondContact SG-CB 3.4Å; C707-C763 CovalentContact SG-SG 2.04Å; C707-C763 PolarHBondContact SG-SG 3.32Å; C707-I765 HydrophobicContact CB-CD1 4.4Å
708	I	98.4	Very high	97.9	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.9	-170	-58.5	179.6	0	0	0	109.8	L663 Y666 M703 L704 V710 I757 I759 I765	L663-I708 HydrophobicContact CD1-CD1 4.09Å; L663-I708 HydrophobicContact CD2-CD1 4Å; Y666-I708 HydrophobicContact CD1-CD1 3.75Å; Y666-I708 HydrophobicContact CE1-CD1 3.61Å; Y666-I708 HydrophobicContact CE1-CG1 4Å; M703-I708 CarbonylContact C-O 3.56Å; M703-I708 VanDerWaalsContact CA-O 3.3Å; M703-I708 WeakPolarHBondContact CA-O 3.2Å; L704-I708 HydrophobicContact CB-CB 4.19Å; L704-I708 HydrophobicContact CD2-CD1 4.33Å; L704-I708 PolarHBondContact N-O 3.26Å; L704-I708 PolarHBondContact O-N 3.45Å; I708-V710 HydrophobicContact CG2-CG2 4.25Å; I708-I757 HydrophobicContact CG2-CG2 3.71Å; I708-I759 HydrophobicContact CG1-CG1 4.49Å; I708-I765 HydrophobicContact CD1-CD1 4.08Å; I708-I765 HydrophobicContact CG1-CD1 3.94Å
709	L	98.7	Very high	97.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	122.2	171.7	175.1	62.2	0	0	0	109.7	L685 Q701 M703 V725 W730 S758	L685-L709 HydrophobicContact CD1-CD1 3.77Å; L685-L709 HydrophobicContact CD2-CD1 4Å; L685-L709 HydrophobicContact CG-CD1 4.1Å; Q701-L709 HydrophobicContact CB-CD1 4.27Å; M703-L709 HydrophobicContact CE-CB 4.46Å; M703-L709 HydrophobicContact SD-CB 3.68Å; M703-L709 HydrophobicContact SD-CD1 3.72Å; M703-L709 HydrophobicContact SD-CG 4.26Å; L709-V725 HydrophobicContact CD2-CG1 4.42Å; L709-V725 HydrophobicContact CD2-CG2 4.43Å; L709-W730 HydrophobicContact CB-CH2 4.37Å; L709-W730 HydrophobicContact CB-CZ3 3.85Å; L709-S758 WeakPolarHBondContact CB-O 3.27Å; L709-S758 PolarHBondContact N-O 2.81Å; L709-S758 PolarHBondContact O-N 3.19Å
710	V	98.6	Very high	97.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.8	179.1	-172.1	0	0	0	0	109.4	F625 Q701 F702 I708 P712 I755 I757	F625-V710 HydrophobicContact CB-CG1 4.45Å; F625-V710 HydrophobicContact CB-CG2 4.21Å; F625-V710 HydrophobicContact CD1-CG2 3.79Å; F625-V710 HydrophobicContact CD2-CG1 4.15Å; F625-V710 HydrophobicContact CE1-CG2 4.35Å; F625-V710 HydrophobicContact CG-CG1 4.18Å; F625-V710 HydrophobicContact CG-CG2 3.96Å; Q701-V710 WeakPolarHBondContact CA-O 3.34Å; Q701-V710 WeakPolarHBondContact CB-O 3.37Å; F702-V710 HydrophobicContact CD1-CB 4.12Å; F702-V710 HydrophobicContact CD2-CG2 4.44Å; F702-V710 HydrophobicContact CE1-CB 3.73Å; F702-V710 HydrophobicContact CE1-CG1 3.76Å; F702-V710 HydrophobicContact CE1-CG2 4.21Å; F702-V710 HydrophobicContact CE2-CB 4.29Å; F702-V710 HydrophobicContact CE2-CG2 3.9Å; F702-V710 HydrophobicContact CZ-CB 3.84Å; F702-V710 HydrophobicContact CZ-CG1 3.95Å; F702-V710 HydrophobicContact CZ-CG2 3.78Å; F702-V710 PolarHBondContact N-O 3.37Å; F702-V710 PolarHBondContact O-N 3.42Å; I708-V710 HydrophobicContact CG2-CG2 4.25Å; V710-P712 WeakPolarHBondContact O-CD 3.37Å; V710-I755 HydrophobicContact CG1-CD1 3.86Å; V710-I757 HydrophobicContact CB-CD1 4.15Å; V710-I757 HydrophobicContact CG1-CD1 3.83Å; V710-I757 HydrophobicContact CG2-CD1 4.03Å
711	T	98.4	Very high	98	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	17%	0.169	C	C	.	.			trans	-122.1	79.6	-179.7	-52.4	0	0	0	0	109.8	Q701 V721 F748 P756	Q701-T711 HydrophobicContact CG-CG2 4.06Å; Q701-T711 PolarHBondContact NE2-OG1 3.3Å; T711-V721 HydrophobicContact CG2-CG1 3.89Å; T711-V721 HydrophobicContact CG2-CG2 4.21Å; T711-F748 HydrophobicContact CG2-CD2 4.24Å; T711-F748 HydrophobicContact CG2-CE2 4.45Å; T711-P756 PolarHBondContact N-O 3.23Å; T711-P756 VanDerWaalsContact N-O 3.09Å; T711-P756 WeakPolarHBondContact O-CD 3.32Å
712	P	98.3	Very high	97.9	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.026	19%	0.188	C	C	.	.			trans	-73.2	151.1	-175	32.3	-36.9	0	0	0	112.7	L622 A700 V710 L714 I755	L622-P712 HydrophobicContact CB-CB 4.29Å; L622-P712 HydrophobicContact CD1-CB 4.04Å; L622-P712 HydrophobicContact CD1-CG 4.01Å; A700-P712 WeakPolarHBondContact O-CD 3.07Å; V710-P712 WeakPolarHBondContact O-CD 3.37Å; P712-L714 HydrophobicContact CB-CD2 3.89Å; P712-L714 HydrophobicContact CB-CG 4.28Å; P712-L714 HydrophobicContact CG-CD1 4.14Å; P712-L714 HydrophobicContact CG-CD2 3.72Å; P712-L714 HydrophobicContact CG-CG 3.91Å; P712-I755 HydrophobicContact CB-CD1 4.11Å
713	V	98.5	Very high	97.8	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.024	19%	0.188	C	C	.	.			trans	-76.7	124.5	162.2	171.9	0	0	0	0	108.2	R618 D715 R718 V721 A750	R618-V713 HydrophobicContact CG-CG1 4.49Å; V713-D715 WeakPolarHBondContact CG1-O 3.49Å; V713-R718 HydrophobicContact CG1-CB 3.71Å; V713-V721 HydrophobicContact CG2-CB 4.05Å; V713-V721 HydrophobicContact CG2-CG1 4.25Å; V713-A750 HydrophobicContact CG2-CB 3.44Å; V713-A750 VanDerWaalsContact CG2-CB 3.44Å
714	L	98.2	Very high	97.8	Very high	11 Å²	11	35.1 Å²	35.1	6%	0.058	19%	0.19	C	C	.	.			trans	-121.6	6.3	-174.9	-57.9	175.3	0	0	0	113.5	L582 K583 V586 L622 A700 P712	L582-L714 HydrophobicContact CD2-CD2 4.02Å; L582-L714 HydrophobicContact CG-CD2 3.85Å; K583-L714 HydrophobicContact CD-CB 4.48Å; K583-L714 WeakPolarHBondContact CE-O 3.25Å; K583-L714 HydrophobicContact CG-CB 3.61Å; K583-L714 HydrophobicContact CG-CD1 4.06Å; K583-L714 HydrophobicContact CG-CG 4.32Å; V586-L714 HydrophobicContact CG2-CD1 4.43Å; V586-L714 HydrophobicContact CG2-CD2 4.41Å; L622-L714 HydrophobicContact CD2-CD2 4Å; A700-L714 HydrophobicContact CB-CD1 3.82Å; P712-L714 HydrophobicContact CB-CD2 3.89Å; P712-L714 HydrophobicContact CB-CG 4.28Å; P712-L714 HydrophobicContact CG-CD1 4.14Å; P712-L714 HydrophobicContact CG-CD2 3.72Å; P712-L714 HydrophobicContact CG-CG 3.91Å
715	D	97.6	Very high	97.8	Very high	73 Å²	73	35.1 Å²	35.1	39%	0.39	19%	0.19	S	C	.	.	S	Bend	trans	-127.3	144.5	178.8	-64	-75.4	0	0	0	110.2	K583 V713 R718	K583-D715 WeakPolarHBondContact CE-OD1 3.34Å; K583-D715 IonicContact NZ-OD1 3.49Å; K583-D715 PolarHBondContact NZ-OD1 2.88Å; V713-D715 WeakPolarHBondContact CG1-O 3.49Å; D715-R718 HydrophobicContact CB-CG 3.81Å; D715-R718 WeakPolarHBondContact O-CG 3.25Å
716	E	97.9	Very high	97.8	Very high	115 Å²	115	35.1 Å²	35.1	54%	0.537	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	143.8	-179.9	-162	162.7	-132.6	0	0	113.1	W579 R718	W579-E716 HydrophobicContact CD2-CB 4.14Å; W579-E716 HydrophobicContact CG-CB 4.42Å; W579-E716 VanDerWaalsContact CZ2-CA 3.46Å; W579-E716 HydrophobicContact CZ2-CB 3.76Å; W579-E716 HydrophobicContact CZ2-CG 3.79Å; W579-E716 PolarHBondContact NE1-OE1 3.04Å; E716-R718 PolarHBondContact O-N 3.1Å
717	G	97.7	Very high	97.8	Very high	56 Å²	56	36.2 Å²	36.2	58%	0.577	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	5.4	174.9	0	0	0	0	0	115	E614	E614-G717 WeakPolarHBondContact OE1-CA 3.34Å; E614-G717 PolarHBondContact OE1-N 3.32Å; E614-G717 PolarHBondContact OE2-N 2.96Å
718	R	97.2	Very high	97.7	Very high	119 Å²	119	36.9 Å²	36.9	45%	0.449	21%	0.205	S	C	.	.			trans	-83.2	136.4	-177.5	-64.4	-61.9	-173.8	168.2	-0.1	112	R618 V713 D715 E716	R618-R718 PolarHBondContact NH2-O 3.31Å; V713-R718 HydrophobicContact CG1-CB 3.71Å; D715-R718 HydrophobicContact CB-CG 3.81Å; D715-R718 WeakPolarHBondContact O-CG 3.25Å; E716-R718 PolarHBondContact O-N 3.1Å
719	T	96.8	Very high	97.6	Very high	87 Å²	87	39.4 Å²	39.4	53%	0.534	22%	0.217	S	C	.	.	S	Bend	trans	-114.7	5	173.5	55.7	0	0	0	0	113.1	A750	T719-A750 CarbonylContact C-O 3.5Å; T719-A750 VanDerWaalsContact C-O 3.27Å; T719-A750 WeakPolarHBondContact CA-O 3.34Å; T719-A750 CarbonylContact O-C 3.52Å; T719-A750 WeakPolarHBondContact O-CA 3.47Å; T719-A750 PolarHBondContact O-N 3.27Å
720	F	96.8	Very high	97.5	Very high	88 Å²	88	39.4 Å²	39.4	39%	0.386	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	158.4	174.6	60.6	-89.7	0	0	0	108.9	Y747 F748	F720-Y747 AromaticContact CD2-CD1 3.88Å; F720-Y747 HydrophobicContact CD2-CD1 3.88Å; F720-Y747 HydrophobicContact CD2-CE1 4.28Å; F720-Y747 HydrophobicContact CE2-CD1 4.26Å; F720-Y747 HydrophobicContact CE2-CE1 4.22Å; F720-F748 CarbonylContact C-O 3.59Å; F720-F748 WeakPolarHBondContact CA-O 3.28Å; F720-F748 WeakPolarHBondContact CB-O 3.5Å
721	V	97.4	Very high	97.4	Very high	24 Å²	24	39.4 Å²	39.4	15%	0.145	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	143.4	177.2	60.7	0	0	0	0	110.7	T711 V713 Y747 F748 A750 P756	T711-V721 HydrophobicContact CG2-CG1 3.89Å; T711-V721 HydrophobicContact CG2-CG2 4.21Å; V713-V721 HydrophobicContact CG2-CB 4.05Å; V713-V721 HydrophobicContact CG2-CG1 4.25Å; V721-Y747 WeakPolarHBondContact O-CA 3.38Å; V721-F748 HydrophobicContact CG1-CB 4.32Å; V721-F748 PolarHBondContact N-O 3.34Å; V721-F748 PolarHBondContact O-N 3.4Å; V721-A750 HydrophobicContact CG1-CB 4.11Å; V721-P756 HydrophobicContact CG1-CG 3.75Å
722	E	97	Very high	97.2	Very high	90 Å²	90	40.4 Å²	40.4	42%	0.421	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	129.9	171.4	-164.8	-178.9	-159.7	0	0	109.7	W745 K746 Y747	E722-W745 HydrophobicContact CG-CB 4.16Å; E722-W745 HydrophobicContact CG-CE3 4.07Å; E722-W745 WeakPolarHBondContact OE1-CB 3.43Å; E722-K746 CarbonylContact C-O 3.51Å; E722-K746 WeakPolarHBondContact CA-O 3.24Å; E722-Y747 HydrophobicContact CB-CD1 3.96Å; E722-Y747 HydrophobicContact CB-CE1 3.7Å; E722-Y747 HydrophobicContact CG-CD1 4.31Å; E722-Y747 HydrophobicContact CG-CE1 4.02Å
723	G	97.7	Very high	96.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	144.1	175.5	0	0	0	0	0	111.5	W745 K746	G723-W745 WeakPolarHBondContact O-CA 3.36Å; G723-K746 PolarHBondContact N-O 3.36Å; G723-K746 PolarHBondContact O-N 3.09Å
724	Y	98.4	Very high	96.3	Very high	9 Å²	9	46.2 Å²	46.2	4%	0.035	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	129.7	169.7	-168.3	-100.7	0	0	0	109.7	L685 D692 A694 T695 V698 Q701 P726 G743 W745	L685-Y724 HydrophobicContact CD2-CD1 4.39Å; D692-Y724 PolarHBondContact OD1-OH 2.85Å; D692-Y724 VanDerWaalsContact OD1-OH 3.09Å; D692-Y724 VanDerWaalsContact OD2-CE1 3.3Å; D692-Y724 WeakPolarHBondContact OD2-CE1 3.33Å; D692-Y724 PolarHBondContact OD2-OH 3.29Å; A694-Y724 HydrophobicContact CB-CD2 4.11Å; A694-Y724 HydrophobicContact CB-CE1 3.97Å; A694-Y724 HydrophobicContact CB-CE2 3.45Å; A694-Y724 VanDerWaalsContact CB-CE2 3.45Å; T695-Y724 HydrophobicContact CG2-CD1 3.94Å; T695-Y724 HydrophobicContact CG2-CE1 3.69Å; V698-Y724 HydrophobicContact CG2-CG 4.4Å; Q701-Y724 PolarHBondContact NE2-O 3.5Å; Q701-Y724 PolarHBondContact OE1-O 3.49Å; Y724-P726 HydrophobicContact CD1-CG 4.45Å; Y724-P726 HydrophobicContact CE1-CG 4.47Å; Y724-G743 VanDerWaalsContact CE2-C 3.47Å; Y724-G743 WeakPolarHBondContact CE2-O 2.9Å; Y724-G743 WeakPolarHBondContact OH-CA 3.47Å; Y724-G743 PolarHBondContact OH-O 2.98Å; Y724-W745 AromaticContact CD2-CD1 3.81Å; Y724-W745 AromaticContact CD2-CD2 3.98Å; Y724-W745 HydrophobicContact CD2-CD2 3.98Å; Y724-W745 AromaticContact CD2-CE2 3.82Å; Y724-W745 AromaticContact CD2-CG 3.97Å; Y724-W745 HydrophobicContact CD2-CG 3.97Å; Y724-W745 HydrophobicContact CD2-CZ2 4.44Å; Y724-W745 AromaticContact CD2-NE1 3.68Å; Y724-W745 HydrophobicContact CG-CD2 4.49Å; Y724-W745 VanDerWaalsContact N-CE3 3.33Å
725	V	98.3	Very high	95.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	112.1	175.6	-171.9	0	0	0	0	108.5	L709 W730 Y739 S741 G743 T744 K746 F748	L709-V725 HydrophobicContact CD2-CG1 4.42Å; L709-V725 HydrophobicContact CD2-CG2 4.43Å; V725-W730 HydrophobicContact CG1-CD2 4.02Å; V725-W730 HydrophobicContact CG1-CG 3.89Å; V725-W730 HydrophobicContact CG1-CZ2 4.48Å; V725-Y739 HydrophobicContact CG1-CE2 4.1Å; V725-S741 PolarHBondContact O-OG 2.94Å; V725-G743 VanDerWaalsContact O-CA 3.3Å; V725-G743 WeakPolarHBondContact O-CA 3.45Å; V725-T744 PolarHBondContact N-O 2.87Å; V725-T744 PolarHBondContact O-N 2.78Å; V725-K746 HydrophobicContact CG2-CB 4.39Å; V725-K746 HydrophobicContact CG2-CD 4.17Å; V725-K746 HydrophobicContact CG2-CG 4.31Å; V725-F748 HydrophobicContact CG2-CE2 3.95Å; V725-F748 HydrophobicContact CG2-CZ 3.5Å
726	P	98	Very high	95.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.263	C	S	.	.			trans	-55.3	156.7	177.6	-25.7	35	0	0	0	112.5	L685 F689 T695 Y724 G728 W730 S741	L685-P726 HydrophobicContact CD2-CG 4.09Å; F689-P726 HydrophobicContact CD1-CB 3.82Å; F689-P726 HydrophobicContact CD1-CG 4.39Å; F689-P726 HydrophobicContact CD2-CB 3.88Å; F689-P726 HydrophobicContact CD2-CG 3.5Å; F689-P726 HydrophobicContact CE1-CB 3.89Å; F689-P726 HydrophobicContact CE1-CG 4.42Å; F689-P726 HydrophobicContact CE2-CB 3.97Å; F689-P726 HydrophobicContact CE2-CG 3.58Å; F689-P726 HydrophobicContact CG-CB 3.81Å; F689-P726 HydrophobicContact CG-CG 3.94Å; F689-P726 HydrophobicContact CZ-CB 3.97Å; F689-P726 HydrophobicContact CZ-CG 4.05Å; T695-P726 HydrophobicContact CG2-CG 4.42Å; Y724-P726 HydrophobicContact CD1-CG 4.45Å; Y724-P726 HydrophobicContact CE1-CG 4.47Å; P726-G728 PolarHBondContact O-N 3.46Å; P726-W730 HydrophobicContact CB-CZ2 4.22Å; P726-W730 HydrophobicContact CG-CZ2 4.33Å; P726-W730 PolarHBondContact O-NE1 2.63Å; P726-S741 WeakPolarHBondContact O-CB 3.24Å
727	S	97	Very high	94.8	Very high	69 Å²	69	46.2 Å²	46.2	48%	0.483	27%	0.265	S	S	.	.	S	Bend	trans	-61.2	134.8	-178	-170.6	0	0	0	0	112	S741	S727-S741 VanDerWaalsContact CA-O 3.3Å; S727-S741 WeakPolarHBondContact CA-O 3.46Å; S727-S741 PolarHBondContact OG-O 3.41Å
728	G	95.5	Very high	94.6	Very high	23 Å²	23	45.7 Å²	45.7	24%	0.237	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.9	179.1	-178.5	0	0	0	0	0	112.8	P726 W730 F740 S741	P726-G728 PolarHBondContact O-N 3.46Å; G728-W730 VanDerWaalsContact O-CD1 3.28Å; G728-F740 WeakPolarHBondContact O-CD2 3.37Å; G728-S741 PolarHBondContact N-O 2.78Å; G728-S741 PolarHBondContact O-N 2.75Å
729	E	96	Very high	94.5	Very high	54 Å²	54	42.1 Å²	42.1	25%	0.252	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	139.3	170.4	-69.7	-165.6	160.3	0	0	111	R738 F740 C761 S790	E729-R738 IonicContact OE2-CZ 2.91Å; E729-R738 IonicContact OE2-NH1 3.72Å; E729-R738 PolarHBondContact OE2-NH1 3.2Å; E729-F740 HydrophobicContact CG-CD2 3.74Å; E729-C761 HydrophobicContact CB-CB 3.71Å; E729-C761 VanDerWaalsContact O-CB 3.26Å; E729-C761 WeakPolarHBondContact O-CB 3.42Å; E729-C761 PolarHBondContact O-N 3.04Å; E729-C761 PolarHBondContact O-SG 3.02Å; E729-C761 VanDerWaalsContact O-SG 3.36Å; E729-S790 VanDerWaalsContact OE2-CA 3.32Å; E729-S790 WeakPolarHBondContact OE2-CA 3.33Å
730	W	96.9	Very high	94.4	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	154.5	-175.5	-63	86.9	0	0	0	110.2	F689 M703 L709 V725 P726 G728 R738 Y739 I759 R760 C761	F689-W730 HydrophobicContact CE2-CH2 4.46Å; F689-W730 HydrophobicContact CZ-CH2 4.03Å; F689-W730 HydrophobicContact CZ-CZ2 4.06Å; M703-W730 HydrophobicContact CE-CH2 4.03Å; M703-W730 HydrophobicContact CE-CZ3 4.27Å; M703-W730 HydrophobicContact SD-CH2 4.3Å; L709-W730 HydrophobicContact CB-CH2 4.37Å; L709-W730 HydrophobicContact CB-CZ3 3.85Å; V725-W730 HydrophobicContact CG1-CD2 4.02Å; V725-W730 HydrophobicContact CG1-CG 3.89Å; V725-W730 HydrophobicContact CG1-CZ2 4.48Å; P726-W730 HydrophobicContact CB-CZ2 4.22Å; P726-W730 HydrophobicContact CG-CZ2 4.33Å; P726-W730 PolarHBondContact O-NE1 2.63Å; G728-W730 VanDerWaalsContact O-CD1 3.28Å; W730-R738 CarbonylContact O-C 3.51Å; W730-R738 VanDerWaalsContact O-CA 3.31Å; W730-R738 WeakPolarHBondContact O-CA 3.28Å; W730-Y739 HydrophobicContact CB-CD1 4.3Å; W730-Y739 HydrophobicContact CB-CD2 4.44Å; W730-Y739 HydrophobicContact CB-CE1 3.73Å; W730-Y739 HydrophobicContact CB-CE2 3.92Å; W730-Y739 HydrophobicContact CG-CE2 4.41Å; W730-Y739 PolarHBondContact N-O 3.35Å; W730-Y739 PolarHBondContact O-N 3.41Å; W730-I759 CarbonylContact C-O 3.58Å; W730-I759 VanDerWaalsContact CA-O 3.31Å; W730-I759 WeakPolarHBondContact CA-O 3.08Å; W730-R760 HydrophobicContact CE3-CB 3.97Å; W730-R760 HydrophobicContact CH2-CB 4.01Å; W730-R760 HydrophobicContact CH2-CG 4.17Å; W730-R760 HydrophobicContact CZ2-CG 4.4Å; W730-R760 HydrophobicContact CZ3-CB 3.64Å; W730-R760 HydrophobicContact CZ3-CG 4.27Å; W730-C761 PolarHBondContact N-SG 2.83Å
731	I	95.5	Very high	94.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.3	170.4	-63	-164.1	0	0	0	108.4	L733 K737 R738 S758 I759 I787 V860	I731-L733 PolarHBondContact O-N 2.89Å; I731-K737 WeakPolarHBondContact CA-O 3.36Å; I731-R738 HydrophobicContact CG1-CB 4.48Å; I731-S758 CarbonylContact O-C 3.53Å; I731-S758 VanDerWaalsContact O-CA 3.28Å; I731-S758 WeakPolarHBondContact O-CA 3.37Å; I731-I759 PolarHBondContact N-O 2.84Å; I731-I759 PolarHBondContact O-N 3.19Å; I731-I787 HydrophobicContact CD1-CB 4.34Å; I731-I787 HydrophobicContact CD1-CD1 4.4Å; I731-I787 HydrophobicContact CD1-CG1 4.18Å; I731-I787 HydrophobicContact CD1-CG2 3.32Å; I731-I787 HydrophobicContact CG1-CG2 3.92Å; I731-V860 HydrophobicContact CD1-CB 4.06Å; I731-V860 HydrophobicContact CD1-CG1 3.28Å
732	N	94.1	Very high	94.3	Very high	22 Å²	22	47.8 Å²	47.8	12%	0.118	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	116.4	167.2	172.4	-73.2	0	0	0	108.2	S734 S735 G736 K737 Y739	N732-S734 PolarHBondContact O-N 2.96Å; N732-S734 PolarHBondContact OD1-N 3.29Å; N732-S734 PolarHBondContact OD1-OG 2.82Å; N732-S735 WeakPolarHBondContact CB-OG 3.21Å; N732-S735 PolarHBondContact O-N 3.01Å; N732-S735 PolarHBondContact O-OG 2.99Å; N732-S735 WeakPolarHBondContact OD1-CB 3.29Å; N732-S735 PolarHBondContact OD1-N 3.03Å; N732-S735 PolarHBondContact OD1-OG 3.08Å; N732-G736 WeakPolarHBondContact O-CA 3.39Å; N732-G736 PolarHBondContact O-N 3.14Å; N732-K737 PolarHBondContact N-O 3.39Å; N732-Y739 HydrophobicContact CB-CD1 4.27Å; N732-Y739 HydrophobicContact CB-CE1 3.97Å
733	L	93	Very high	94.3	Very high	54 Å²	54	44.3 Å²	44.3	28%	0.283	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-37.9	-171.2	179.9	59.1	0	0	0	112.8	L659 I731 I757 I759	L659-L733 HydrophobicContact CD1-CD2 4.01Å; L659-L733 HydrophobicContact CD2-CD2 4.12Å; I731-L733 PolarHBondContact O-N 2.89Å; L733-I757 HydrophobicContact CB-CB 3.96Å; L733-I757 HydrophobicContact CB-CG2 4.1Å; L733-I757 HydrophobicContact CD2-CB 4.06Å; L733-I757 HydrophobicContact CD2-CG2 3.88Å; L733-I757 PolarHBondContact N-O 2.91Å; L733-I759 HydrophobicContact CB-CD1 4.34Å; L733-I759 HydrophobicContact CD1-CD1 3.81Å; L733-I759 HydrophobicContact CD2-CD1 4.4Å; L733-I759 HydrophobicContact CG-CD1 4.4Å
734	S	86.3	Confident	94.3	Very high	76 Å²	76	47.2 Å²	47.2	53%	0.531	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-32.7	-177.4	53.9	0	0	0	0	112.9	N732	N732-S734 PolarHBondContact O-N 2.96Å; N732-S734 PolarHBondContact OD1-N 3.29Å; N732-S734 PolarHBondContact OD1-OG 2.82Å
735	S	86.2	Confident	94.2	Very high	51 Å²	51	52.9 Å²	52.9	36%	0.357	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-14	178.5	63.8	0	0	0	0	114.4	N732 K737	N732-S735 WeakPolarHBondContact CB-OG 3.21Å; N732-S735 PolarHBondContact O-N 3.01Å; N732-S735 PolarHBondContact O-OG 2.99Å; N732-S735 WeakPolarHBondContact OD1-CB 3.29Å; N732-S735 PolarHBondContact OD1-N 3.03Å; N732-S735 PolarHBondContact OD1-OG 3.08Å; S735-K737 PolarHBondContact O-N 3.2Å; S735-K737 VanDerWaalsContact O-N 3.14Å; S735-K737 PolarHBondContact OG-N 2.93Å
736	G	85.8	Confident	94.1	Very high	17 Å²	17	55.5 Å²	55.5	18%	0.175	28%	0.28	C	S	.	.			trans	66.9	2.1	-170.3	0	0	0	0	0	114.5	N732	N732-G736 WeakPolarHBondContact O-CA 3.39Å; N732-G736 PolarHBondContact O-N 3.14Å
737	K	89.6	Confident	93.9	Very high	131 Å²	131	63 Å²	63	57%	0.57	31%	0.31	S	S	*	.			trans	-85.3	132.8	-171.7	-66.9	-176.9	-179	178.7	0	112.1	I731 N732 S735	I731-K737 WeakPolarHBondContact CA-O 3.36Å; N732-K737 PolarHBondContact N-O 3.39Å; S735-K737 PolarHBondContact O-N 3.2Å; S735-K737 VanDerWaalsContact O-N 3.14Å; S735-K737 PolarHBondContact OG-N 2.93Å
738	R	93.5	Very high	93.9	Very high	45 Å²	45	60.3 Å²	60.3	17%	0.17	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	140.8	168.7	-176.9	178.4	-66.1	-106.1	-6.2	110.7	E729 W730 I731 C761 L788	E729-R738 IonicContact OE2-CZ 2.91Å; E729-R738 IonicContact OE2-NH1 3.72Å; E729-R738 PolarHBondContact OE2-NH1 3.2Å; W730-R738 CarbonylContact O-C 3.51Å; W730-R738 VanDerWaalsContact O-CA 3.31Å; W730-R738 WeakPolarHBondContact O-CA 3.28Å; I731-R738 HydrophobicContact CG1-CB 4.48Å; R738-C761 VanDerWaalsContact CZ-SG 3.51Å; R738-C761 PolarHBondContact NH1-SG 3.04Å; R738-L788 VanDerWaalsContact CZ-O 3.3Å; R738-L788 PolarHBondContact NH1-O 2.95Å; R738-L788 PolarHBondContact NH2-O 3.08Å
739	Y	94.2	Very high	93.9	Very high	44 Å²	44	65.8 Å²	65.8	17%	0.173	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	152.6	172.3	69.7	-88.8	0	0	0	111	V725 W730 N732 K746 S758	V725-Y739 HydrophobicContact CG1-CE2 4.1Å; W730-Y739 HydrophobicContact CB-CD1 4.3Å; W730-Y739 HydrophobicContact CB-CD2 4.44Å; W730-Y739 HydrophobicContact CB-CE1 3.73Å; W730-Y739 HydrophobicContact CB-CE2 3.92Å; W730-Y739 HydrophobicContact CG-CE2 4.41Å; W730-Y739 PolarHBondContact N-O 3.35Å; W730-Y739 PolarHBondContact O-N 3.41Å; N732-Y739 HydrophobicContact CB-CD1 4.27Å; N732-Y739 HydrophobicContact CB-CE1 3.97Å; Y739-K746 HydrophobicContact CE2-CD 4.15Å; Y739-S758 VanDerWaalsContact OH-CB 3.32Å; Y739-S758 WeakPolarHBondContact OH-CB 2.87Å; Y739-S758 PolarHBondContact OH-OG 3.01Å
740	F	95.2	Very high	93.9	Very high	109 Å²	109	63.2 Å²	63.2	48%	0.478	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	141	174.6	-175.7	-105.9	0	0	0	110.9	G728 E729 R742 K746	G728-F740 WeakPolarHBondContact O-CD2 3.37Å; E729-F740 HydrophobicContact CG-CD2 3.74Å; F740-R742 HydrophobicContact CD1-CG 4.12Å; F740-R742 HydrophobicContact CE1-CG 3.62Å; F740-K746 PolarHBondContact O-NZ 3.43Å
741	S	96.8	Very high	93.8	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	139.4	168.4	-172.2	0	0	0	0	110.7	V725 P726 S727 G728 G743	V725-S741 PolarHBondContact O-OG 2.94Å; P726-S741 WeakPolarHBondContact O-CB 3.24Å; S727-S741 VanDerWaalsContact CA-O 3.3Å; S727-S741 WeakPolarHBondContact CA-O 3.46Å; S727-S741 PolarHBondContact OG-O 3.41Å; G728-S741 PolarHBondContact N-O 2.78Å; G728-S741 PolarHBondContact O-N 2.75Å; S741-G743 VanDerWaalsContact C-N 3.3Å; S741-G743 PolarHBondContact OG-N 2.75Å
742	R	96.3	Very high	93.8	Very high	209 Å²	209	69 Å²	69	79%	0.789	34%	0.335	S	S	*	.	S	Bend	trans	-91.9	13.9	172.5	-71.8	-178.4	-178.4	-155.4	1.7	112.6	F740 T744	F740-R742 HydrophobicContact CD1-CG 4.12Å; F740-R742 HydrophobicContact CE1-CG 3.62Å; R742-T744 HydrophobicContact CB-CG2 4.21Å
743	G	97.2	Very high	93.6	Very high	17 Å²	17	72.1 Å²	72.1	18%	0.175	35%	0.351	C	S	.	.	S	Bend	trans	78.5	61.6	-168.4	0	0	0	0	0	110.3	Y724 V725 S741	Y724-G743 VanDerWaalsContact CE2-C 3.47Å; Y724-G743 WeakPolarHBondContact CE2-O 2.9Å; Y724-G743 WeakPolarHBondContact OH-CA 3.47Å; Y724-G743 PolarHBondContact OH-O 2.98Å; V725-G743 VanDerWaalsContact O-CA 3.3Å; V725-G743 WeakPolarHBondContact O-CA 3.45Å; S741-G743 VanDerWaalsContact C-N 3.3Å; S741-G743 PolarHBondContact OG-N 2.75Å
744	T	96.7	Very high	93.6	Very high	60 Å²	60	71 Å²	71	37%	0.368	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	155.3	-174.1	60.7	0	0	0	0	111.4	V725 R742	V725-T744 PolarHBondContact N-O 2.87Å; V725-T744 PolarHBondContact O-N 2.78Å; R742-T744 HydrophobicContact CB-CG2 4.21Å
745	W	97.1	Very high	94.1	Very high	128 Å²	128	68.2 Å²	68.2	49%	0.485	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	138.3	163.3	-63.2	92.6	0	0	0	109.9	V698 E722 G723 Y724	V698-W745 HydrophobicContact CG2-CH2 4.13Å; V698-W745 HydrophobicContact CG2-CZ2 4.38Å; E722-W745 HydrophobicContact CG-CB 4.16Å; E722-W745 HydrophobicContact CG-CE3 4.07Å; E722-W745 WeakPolarHBondContact OE1-CB 3.43Å; G723-W745 WeakPolarHBondContact O-CA 3.36Å; Y724-W745 AromaticContact CD2-CD1 3.81Å; Y724-W745 AromaticContact CD2-CD2 3.98Å; Y724-W745 HydrophobicContact CD2-CD2 3.98Å; Y724-W745 AromaticContact CD2-CE2 3.82Å; Y724-W745 AromaticContact CD2-CG 3.97Å; Y724-W745 HydrophobicContact CD2-CG 3.97Å; Y724-W745 HydrophobicContact CD2-CZ2 4.44Å; Y724-W745 AromaticContact CD2-NE1 3.68Å; Y724-W745 HydrophobicContact CG-CD2 4.49Å; Y724-W745 VanDerWaalsContact N-CE3 3.33Å
746	K	95.1	Very high	94.6	Very high	55 Å²	55	65.9 Å²	65.9	24%	0.239	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	144.4	179.8	-64.1	-165.7	176.8	-153.1	0	109.9	E722 G723 V725 Y739 F740 F748	E722-K746 CarbonylContact C-O 3.51Å; E722-K746 WeakPolarHBondContact CA-O 3.24Å; G723-K746 PolarHBondContact N-O 3.36Å; G723-K746 PolarHBondContact O-N 3.09Å; V725-K746 HydrophobicContact CG2-CB 4.39Å; V725-K746 HydrophobicContact CG2-CD 4.17Å; V725-K746 HydrophobicContact CG2-CG 4.31Å; Y739-K746 HydrophobicContact CE2-CD 4.15Å; F740-K746 PolarHBondContact O-NZ 3.43Å; K746-F748 HydrophobicContact CB-CE2 4.14Å; K746-F748 HydrophobicContact CB-CZ 4.3Å
747	Y	95.2	Very high	95.2	Very high	157 Å²	157	65.2 Å²	65.2	62%	0.616	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.4	169.1	-70	-78.3	0	0	0	110.4	F720 V721 E722	F720-Y747 AromaticContact CD2-CD1 3.88Å; F720-Y747 HydrophobicContact CD2-CD1 3.88Å; F720-Y747 HydrophobicContact CD2-CE1 4.28Å; F720-Y747 HydrophobicContact CE2-CD1 4.26Å; F720-Y747 HydrophobicContact CE2-CE1 4.22Å; V721-Y747 WeakPolarHBondContact O-CA 3.38Å; E722-Y747 HydrophobicContact CB-CD1 3.96Å; E722-Y747 HydrophobicContact CB-CE1 3.7Å; E722-Y747 HydrophobicContact CG-CD1 4.31Å; E722-Y747 HydrophobicContact CG-CE1 4.02Å
748	F	95.4	Very high	95.6	Very high	13 Å²	13	59 Å²	59	6%	0.057	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.4	174.2	-62.8	-85.4	0	0	0	109.5	T711 F720 V721 V725 K746 A750 P756	T711-F748 HydrophobicContact CG2-CD2 4.24Å; T711-F748 HydrophobicContact CG2-CE2 4.45Å; F720-F748 CarbonylContact C-O 3.59Å; F720-F748 WeakPolarHBondContact CA-O 3.28Å; F720-F748 WeakPolarHBondContact CB-O 3.5Å; V721-F748 HydrophobicContact CG1-CB 4.32Å; V721-F748 PolarHBondContact N-O 3.34Å; V721-F748 PolarHBondContact O-N 3.4Å; V725-F748 HydrophobicContact CG2-CE2 3.95Å; V725-F748 HydrophobicContact CG2-CZ 3.5Å; K746-F748 HydrophobicContact CB-CE2 4.14Å; K746-F748 HydrophobicContact CB-CZ 4.3Å; F748-A750 PolarHBondContact O-N 2.97Å; F748-P756 HydrophobicContact CB-CB 3.72Å; F748-P756 HydrophobicContact CB-CG 3.67Å; F748-P756 HydrophobicContact CD1-CB 4.33Å; F748-P756 HydrophobicContact CG-CB 3.98Å; F748-P756 HydrophobicContact CG-CG 4.46Å
749	D	95.3	Very high	95.8	Very high	138 Å²	138	57 Å²	57	74%	0.738	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	125.6	166.1	-64.3	-34.4	0	0	0	108.9
750	A	96.7	Very high	96	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	27%	0.274	C	S	.	.			trans	-140.2	61	-176.3	0	0	0	0	0	109.5	R618 V713 T719 V721 F748 P756	R618-A750 PolarHBondContact NH2-O 3.47Å; V713-A750 HydrophobicContact CG2-CB 3.44Å; V713-A750 VanDerWaalsContact CG2-CB 3.44Å; T719-A750 CarbonylContact C-O 3.5Å; T719-A750 VanDerWaalsContact C-O 3.27Å; T719-A750 WeakPolarHBondContact CA-O 3.34Å; T719-A750 CarbonylContact O-C 3.52Å; T719-A750 WeakPolarHBondContact O-CA 3.47Å; T719-A750 PolarHBondContact O-N 3.27Å; V721-A750 HydrophobicContact CG1-CB 4.11Å; F748-A750 PolarHBondContact O-N 2.97Å; A750-P756 HydrophobicContact CB-CG 3.61Å
751	P	95.3	Very high	96.1	Very high	53 Å²	53	54.4 Å²	54.4	34%	0.344	26%	0.256	S	S	.	.			trans	-54.5	164.9	171.4	26.4	-35.5	0	0	0	110.4	R618 N753 V754	R618-P751 PolarHBondContact NH1-O 2.84Å; R618-P751 VanDerWaalsContact NH1-O 3.1Å; P751-N753 PolarHBondContact O-N 3.42Å; P751-V754 HydrophobicContact CG-CB 3.94Å; P751-V754 HydrophobicContact CG-CG2 3.8Å; P751-V754 PolarHBondContact O-N 3.35Å
752	L	94.3	Very high	96.1	Very high	70 Å²	70	55 Å²	55	37%	0.366	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-29.3	-168.5	-173.2	54.7	0	0	0	113.8	E614 I617 R618 Q621	E614-L752 HydrophobicContact CG-CD1 3.77Å; I617-L752 HydrophobicContact CB-CD1 4.14Å; I617-L752 HydrophobicContact CD1-CD1 4Å; I617-L752 HydrophobicContact CD1-CD2 3.66Å; I617-L752 HydrophobicContact CD1-CG 3.72Å; I617-L752 HydrophobicContact CG2-CD1 3.93Å; I617-L752 HydrophobicContact CG2-CG 4.14Å; I617-L752 WeakPolarHBondContact CG2-O 3.4Å; R618-L752 HydrophobicContact CG-CD1 4.48Å; Q621-L752 PolarHBondContact NE2-O 3.09Å
753	N	90.7	Very high	96.2	Very high	87 Å²	87	45.5 Å²	45.5	47%	0.465	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	4.3	178.2	66.9	-34.4	0	0	0	115.2	Q621 A652 P751	Q621-N753 VanDerWaalsContact NE2-C 3.3Å; A652-N753 HydrophobicContact CB-CB 4.3Å; P751-N753 PolarHBondContact O-N 3.42Å
754	V	93.2	Very high	96.3	Very high	30 Å²	30	44.9 Å²	44.9	18%	0.182	22%	0.221	C	C	.	.			trans	-126.2	129.6	-176.7	175.1	0	0	0	0	111	R618 P751	R618-V754 PolarHBondContact NH1-O 2.85Å; R618-V754 VanDerWaalsContact NH1-O 3.14Å; P751-V754 HydrophobicContact CG-CB 3.94Å; P751-V754 HydrophobicContact CG-CG2 3.8Å; P751-V754 PolarHBondContact O-N 3.35Å
755	I	96.6	Very high	96.4	Very high	19 Å²	19	42 Å²	42	10%	0.097	20%	0.204	C	C	.	.			trans	-101.5	123.7	160.5	177	162.3	0	0	0	109.3	Q621 F625 V710 P712 I757	Q621-I755 HydrophobicContact CB-CB 3.99Å; Q621-I755 HydrophobicContact CB-CD1 4.23Å; Q621-I755 HydrophobicContact CB-CG2 4.14Å; Q621-I755 HydrophobicContact CG-CB 4.29Å; Q621-I755 HydrophobicContact CG-CG2 4.26Å; F625-I755 HydrophobicContact CD2-CD1 4.2Å; F625-I755 HydrophobicContact CE2-CD1 4.08Å; F625-I755 HydrophobicContact CE2-CG2 4.12Å; V710-I755 HydrophobicContact CG1-CD1 3.86Å; P712-I755 HydrophobicContact CB-CD1 4.11Å; I755-I757 HydrophobicContact CD1-CD1 4.37Å; I755-I757 HydrophobicContact CG1-CD1 4.06Å; I755-I757 HydrophobicContact CG2-CG1 4.41Å; I755-I757 PolarHBondContact O-N 2.84Å
756	P	97.2	Very high	96.4	Very high	1 Å²	1	36 Å²	36	1%	0.006	18%	0.181	C	C	.	.			trans	-64.6	117.7	174.6	-26.9	36.5	0	0	0	112.5	T711 V721 F748 A750	T711-P756 PolarHBondContact N-O 3.23Å; T711-P756 VanDerWaalsContact N-O 3.09Å; T711-P756 WeakPolarHBondContact O-CD 3.32Å; V721-P756 HydrophobicContact CG1-CG 3.75Å; F748-P756 HydrophobicContact CB-CB 3.72Å; F748-P756 HydrophobicContact CB-CG 3.67Å; F748-P756 HydrophobicContact CD1-CB 4.33Å; F748-P756 HydrophobicContact CG-CB 3.98Å; F748-P756 HydrophobicContact CG-CG 4.46Å; A750-P756 HydrophobicContact CB-CG 3.61Å
757	I	97.8	Very high	96.5	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.015	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.4	174.7	-57.2	-61.1	0	0	0	108.8	F625 I708 V710 L733 I755 I759	F625-I757 HydrophobicContact CD1-CD1 4.48Å; F625-I757 HydrophobicContact CD2-CD1 4.42Å; F625-I757 HydrophobicContact CE1-CD1 3.77Å; F625-I757 HydrophobicContact CE1-CG1 4.31Å; F625-I757 HydrophobicContact CE2-CD1 3.72Å; F625-I757 HydrophobicContact CE2-CG1 4.33Å; F625-I757 HydrophobicContact CZ-CD1 3.34Å; F625-I757 HydrophobicContact CZ-CG1 3.7Å; I708-I757 HydrophobicContact CG2-CG2 3.71Å; V710-I757 HydrophobicContact CB-CD1 4.15Å; V710-I757 HydrophobicContact CG1-CD1 3.83Å; V710-I757 HydrophobicContact CG2-CD1 4.03Å; L733-I757 HydrophobicContact CB-CB 3.96Å; L733-I757 HydrophobicContact CB-CG2 4.1Å; L733-I757 HydrophobicContact CD2-CB 4.06Å; L733-I757 HydrophobicContact CD2-CG2 3.88Å; L733-I757 PolarHBondContact N-O 2.91Å; I755-I757 HydrophobicContact CD1-CD1 4.37Å; I755-I757 HydrophobicContact CG1-CD1 4.06Å; I755-I757 HydrophobicContact CG2-CG1 4.41Å; I755-I757 PolarHBondContact O-N 2.84Å; I757-I759 HydrophobicContact CG2-CG1 4.41Å
758	S	98.1	Very high	96.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.8	173.8	-64.4	0	0	0	0	110.5	L709 I731 Y739	L709-S758 WeakPolarHBondContact CB-O 3.27Å; L709-S758 PolarHBondContact N-O 2.81Å; L709-S758 PolarHBondContact O-N 3.19Å; I731-S758 CarbonylContact O-C 3.53Å; I731-S758 VanDerWaalsContact O-CA 3.28Å; I731-S758 WeakPolarHBondContact O-CA 3.37Å; Y739-S758 VanDerWaalsContact OH-CB 3.32Å; Y739-S758 WeakPolarHBondContact OH-CB 2.87Å; Y739-S758 PolarHBondContact OH-OG 3.01Å
759	I	97.8	Very high	96.5	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.7	178.8	-55.2	171.3	0	0	0	109.1	C707 I708 W730 I731 L733 I757 C761 I765 F785 I787	C707-I759 CarbonylContact O-C 3.5Å; C707-I759 WeakPolarHBondContact O-CA 3.39Å; I708-I759 HydrophobicContact CG1-CG1 4.49Å; W730-I759 CarbonylContact C-O 3.58Å; W730-I759 VanDerWaalsContact CA-O 3.31Å; W730-I759 WeakPolarHBondContact CA-O 3.08Å; I731-I759 PolarHBondContact N-O 2.84Å; I731-I759 PolarHBondContact O-N 3.19Å; L733-I759 HydrophobicContact CB-CD1 4.34Å; L733-I759 HydrophobicContact CD1-CD1 3.81Å; L733-I759 HydrophobicContact CD2-CD1 4.4Å; L733-I759 HydrophobicContact CG-CD1 4.4Å; I757-I759 HydrophobicContact CG2-CG1 4.41Å; I759-C761 PolarHBondContact O-N 2.82Å; I759-I765 HydrophobicContact CD1-CD1 4.13Å; I759-I765 HydrophobicContact CG1-CD1 4.43Å; I759-I765 HydrophobicContact CG2-CD1 3.51Å; I759-F785 HydrophobicContact CD1-CD1 4.12Å; I759-F785 HydrophobicContact CD1-CE1 3.77Å; I759-I787 HydrophobicContact CB-CD1 3.83Å; I759-I787 HydrophobicContact CD1-CD1 4.37Å; I759-I787 HydrophobicContact CG2-CD1 3.21Å
760	R	97.9	Very high	96.5	Very high	82 Å²	82	22.8 Å²	22.8	31%	0.309	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	130.5	179.4	-166.9	177.5	-176.9	172.7	1.1	110.1	E688 S706 C707 W730 C763	E688-R760 IonicContact OE1-NH1 3.37Å; E688-R760 PolarHBondContact OE1-NH1 3.33Å; S706-R760 WeakPolarHBondContact O-CD 3.18Å; C707-R760 PolarHBondContact O-N 3.16Å; W730-R760 HydrophobicContact CE3-CB 3.97Å; W730-R760 HydrophobicContact CH2-CB 4.01Å; W730-R760 HydrophobicContact CH2-CG 4.17Å; W730-R760 HydrophobicContact CZ2-CG 4.4Å; W730-R760 HydrophobicContact CZ3-CB 3.64Å; W730-R760 HydrophobicContact CZ3-CG 4.27Å; R760-C763 WeakPolarHBondContact O-CB 3.45Å; R760-C763 PolarHBondContact O-N 3.48Å
761	C	97.8	Very high	96.4	Very high	16 Å²	16	22.9 Å²	22.9	11%	0.108	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	142.9	175.7	-67.4	0	0	0	0	110.9	E729 W730 R738 I759 I787 L788	E729-C761 HydrophobicContact CB-CB 3.71Å; E729-C761 VanDerWaalsContact O-CB 3.26Å; E729-C761 WeakPolarHBondContact O-CB 3.42Å; E729-C761 PolarHBondContact O-N 3.04Å; E729-C761 PolarHBondContact O-SG 3.02Å; E729-C761 VanDerWaalsContact O-SG 3.36Å; W730-C761 PolarHBondContact N-SG 2.83Å; R738-C761 VanDerWaalsContact CZ-SG 3.51Å; R738-C761 PolarHBondContact NH1-SG 3.04Å; I759-C761 PolarHBondContact O-N 2.82Å; C761-I787 HydrophobicContact CB-CG2 4.25Å; C761-L788 WeakPolarHBondContact CB-O 3.36Å
762	G	97.5	Very high	96.4	Very high	14 Å²	14	23.9 Å²	23.9	14%	0.144	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.2	0.9	-172.2	0	0	0	0	0	113.8	I787 A804 S805	G762-I787 CarbonylContact C-O 3.52Å; G762-I787 WeakPolarHBondContact CA-O 3.46Å; G762-I787 PolarHBondContact N-O 3.5Å; G762-A804 CarbonylContact O-C 3.55Å; G762-A804 WeakPolarHBondContact O-CA 3.38Å; G762-S805 PolarHBondContact O-N 3.02Å
763	C	98.1	Very high	96.5	Very high	9 Å²	9	21.2 Å²	21.2	6%	0.061	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	141.8	174.2	-73.8	0	0	0	0	112.3	C707 R760 I765 I787	C707-C763 VanDerWaalsContact CA-SG 3.52Å; C707-C763 HydrophobicContact CB-CB 3.67Å; C707-C763 WeakPolarHBondContact CB-SG 3.35Å; C707-C763 WeakPolarHBondContact SG-CB 3.4Å; C707-C763 CovalentContact SG-SG 2.04Å; C707-C763 PolarHBondContact SG-SG 3.32Å; R760-C763 WeakPolarHBondContact O-CB 3.45Å; R760-C763 PolarHBondContact O-N 3.48Å; C763-I765 HydrophobicContact CB-CG1 4.45Å; C763-I787 WeakPolarHBondContact O-CB 3.4Å; C763-I787 PolarHBondContact O-N 2.91Å
764	I	98.5	Very high	96.8	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.015	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.2	165.8	-55.9	176.1	0	0	0	107.9	F785 V786 A804 S805 F825 V827 L832	I764-F785 WeakPolarHBondContact CA-O 3.27Å; I764-V786 HydrophobicContact CD1-CG1 4.22Å; I764-V786 HydrophobicContact CG1-CG1 4.14Å; I764-V786 HydrophobicContact CG2-CG2 3.98Å; I764-A804 HydrophobicContact CD1-CB 3.93Å; I764-A804 HydrophobicContact CG1-CB 3.69Å; I764-S805 PolarHBondContact N-O 3.03Å; I764-F825 HydrophobicContact CB-CB 4.09Å; I764-F825 HydrophobicContact CB-CD2 4.46Å; I764-F825 HydrophobicContact CD1-CB 3.52Å; I764-F825 HydrophobicContact CG1-CB 4.39Å; I764-F825 HydrophobicContact CG2-CB 3.84Å; I764-F825 HydrophobicContact CG2-CD2 3.9Å; I764-F825 HydrophobicContact CG2-CG 3.95Å; I764-V827 HydrophobicContact CD1-CG2 4.18Å; I764-L832 HydrophobicContact CD1-CD1 3.75Å
765	I	98.1	Very high	96.8	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	114.8	-175.5	-59.5	179.7	0	0	0	109.3	L663 Y666 C707 I708 I759 C763 F785	L663-I765 HydrophobicContact CD2-CG2 4.03Å; Y666-I765 HydrophobicContact CD2-CG2 4.28Å; Y666-I765 HydrophobicContact CG-CG2 4.1Å; C707-I765 HydrophobicContact CB-CD1 4.4Å; I708-I765 HydrophobicContact CD1-CD1 4.08Å; I708-I765 HydrophobicContact CG1-CD1 3.94Å; I759-I765 HydrophobicContact CD1-CD1 4.13Å; I759-I765 HydrophobicContact CG1-CD1 4.43Å; I759-I765 HydrophobicContact CG2-CD1 3.51Å; C763-I765 HydrophobicContact CB-CG1 4.45Å; I765-F785 HydrophobicContact CB-CB 4.38Å; I765-F785 PolarHBondContact N-O 2.76Å; I765-F785 PolarHBondContact O-N 3.05Å
766	P	97.8	Very high	96.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	138.3	168.6	31.9	-34.6	0	0	0	110.3	P665 L784 E807 L808 F825	P665-P766 HydrophobicContact CB-CB 4.18Å; P665-P766 HydrophobicContact CB-CG 4.32Å; P766-L784 HydrophobicContact CB-CD2 4.15Å; P766-E807 WeakPolarHBondContact CG-O 3.45Å; P766-L808 HydrophobicContact CB-CB 4.29Å; P766-L808 HydrophobicContact CB-CD1 3.96Å; P766-L808 HydrophobicContact CG-CB 4.2Å; P766-L808 HydrophobicContact CG-CD1 3.93Å; P766-F825 HydrophobicContact CB-CE2 4.35Å; P766-F825 HydrophobicContact CG-CE2 4.5Å
767	M	96.8	Very high	96.7	Very high	30 Å²	30	19.8 Å²	19.8	15%	0.148	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	151.8	-178.5	55	179.6	56.3	0	0	111.9	H662 F782 G783 F785	H662-M767 CarbonylContact O-C 3.56Å; H662-M767 WeakPolarHBondContact O-CA 3.43Å; H662-M767 WeakPolarHBondContact O-CB 3.47Å; M767-F782 CarbonylContact O-C 3.47Å; M767-F782 VanDerWaalsContact O-CA 3.28Å; M767-F782 WeakPolarHBondContact O-CA 3.31Å; M767-G783 VanDerWaalsContact CG-O 3.22Å; M767-G783 WeakPolarHBondContact CG-O 3.47Å; M767-G783 PolarHBondContact N-O 3.16Å; M767-G783 PolarHBondContact O-N 3.06Å; M767-F785 HydrophobicContact CE-CB 3.44Å; M767-F785 VanDerWaalsContact CE-CB 3.44Å; M767-F785 HydrophobicContact CE-CG 4.05Å; M767-F785 HydrophobicContact SD-CB 4.46Å
768	Q	95.8	Very high	96.5	Very high	1 Å²	1	20 Å²	20	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	143.5	166.2	-75.2	-178.9	-21.6	0	0	109.4	Y320 Y661 H662 P665 S770	Y320-Q768 PolarHBondContact OH-NE2 3.2Å; Y661-Q768 PolarHBondContact O-OE1 3.09Å; H662-Q768 PolarHBondContact ND1-O 2.68Å; H662-Q768 PolarHBondContact O-N 2.74Å; P665-Q768 HydrophobicContact CG-CB 4.48Å; P665-Q768 HydrophobicContact CG-CG 3.65Å; Q768-S770 VanDerWaalsContact C-N 3.28Å; Q768-S770 WeakPolarHBondContact CB-O 3.42Å
769	V	94.8	Very high	96.3	Very high	38 Å²	38	25.2 Å²	25.2	23%	0.23	13%	0.127	C	C	.	.	S	Bend	trans	-80.1	-14.3	173.8	-58.3	0	0	0	0	113.4	K780 G781 F782 K855 Q856	V769-K780 HydrophobicContact CG2-CB 3.95Å; V769-K780 WeakPolarHBondContact CG2-O 3.39Å; V769-G781 PolarHBondContact N-O 3.45Å; V769-F782 WeakPolarHBondContact CG1-O 3.41Å; V769-K855 HydrophobicContact CG1-CB 3.99Å; V769-K855 HydrophobicContact CG1-CG 4.46Å; V769-K855 HydrophobicContact CG2-CG 4.29Å; V769-Q856 HydrophobicContact CG1-CG 3.88Å
770	S	95.1	Very high	96.2	Very high	18 Å²	18	29.8 Å²	29.8	13%	0.126	15%	0.147	C	C	.	.			trans	-116.9	160.5	-178.3	-122.8	0	0	0	0	110.6	Q768 E772	Q768-S770 VanDerWaalsContact C-N 3.28Å; Q768-S770 WeakPolarHBondContact CB-O 3.42Å; S770-E772 WeakPolarHBondContact CB-OE2 3.43Å; S770-E772 PolarHBondContact OG-OE1 3.36Å; S770-E772 PolarHBondContact OG-OE2 3.15Å
771	A	95.2	Very high	95.9	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.008	13%	0.133	C	C	.	.			trans	-140.4	45.9	-179	0	0	0	0	0	110.3	P351 R658	P351-A771 WeakPolarHBondContact CG-O 3.39Å; R658-A771 HydrophobicContact CB-CB 3.91Å; R658-A771 HydrophobicContact CG-CB 3.9Å
772	E	94.9	Very high	95.6	Very high	74 Å²	74	25.2 Å²	25.2	35%	0.346	13%	0.128	S	C	.	.	S	Bend	trans	-93.2	-169.2	166.5	-64.3	94.7	124.2	0	0	108.7	Y661 S770 I776	Y661-E772 WeakPolarHBondContact CD1-O 3.38Å; Y661-E772 WeakPolarHBondContact CE1-O 3.39Å; S770-E772 WeakPolarHBondContact CB-OE2 3.43Å; S770-E772 PolarHBondContact OG-OE1 3.36Å; S770-E772 PolarHBondContact OG-OE2 3.15Å; E772-I776 HydrophobicContact CB-CB 4Å; E772-I776 HydrophobicContact CB-CD1 4.45Å; E772-I776 HydrophobicContact CB-CG2 3.88Å; E772-I776 HydrophobicContact CG-CG2 4.27Å
773	T	96.4	Very high	95.5	Very high	14 Å²	14	24.5 Å²	24.5	9%	0.086	12%	0.121	C	C	.	.			trans	-54.3	151.1	173.2	67	0	0	0	0	111.2	I352 D353 D775 I776 A777	I352-T773 WeakPolarHBondContact O-CG2 3.33Å; D353-T773 WeakPolarHBondContact OD2-CA 3.27Å; T773-D775 VanDerWaalsContact C-N 3.26Å; T773-D775 PolarHBondContact O-N 3.13Å; T773-I776 PolarHBondContact O-N 3.36Å; T773-I776 WeakPolarHBondContact OG1-CG1 3.41Å; T773-A777 PolarHBondContact O-N 3.04Å
774	T	97.2	Very high	95.4	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-59	-37.8	-172.9	62	0	0	0	0	112.9	Y320 W321 D353 Y661 L664 I776 A777 R778	Y320-T774 HydrophobicContact CD1-CG2 3.74Å; Y320-T774 HydrophobicContact CE1-CG2 3.68Å; W321-T774 WeakPolarHBondContact CA-OG1 3.25Å; D353-T774 VanDerWaalsContact OD1-CB 3.23Å; D353-T774 WeakPolarHBondContact OD1-CB 3.41Å; D353-T774 VanDerWaalsContact OD1-CG2 3.29Å; D353-T774 WeakPolarHBondContact OD1-CG2 3.32Å; D353-T774 PolarHBondContact OD1-N 3.44Å; D353-T774 PolarHBondContact OD1-OG1 3.31Å; D353-T774 PolarHBondContact OD2-N 3.47Å; D353-T774 VanDerWaalsContact OD2-N 3.09Å; Y661-T774 HydrophobicContact CE1-CG2 4.09Å; L664-T774 HydrophobicContact CD1-CG2 3.63Å; T774-I776 PolarHBondContact O-N 2.84Å; T774-A777 PolarHBondContact O-N 2.76Å; T774-R778 VanDerWaalsContact O-CB 3.32Å; T774-R778 WeakPolarHBondContact O-CB 3.33Å; T774-R778 WeakPolarHBondContact O-CD 3.39Å; T774-R778 WeakPolarHBondContact O-CG 3.31Å; T774-R778 PolarHBondContact O-N 3.14Å
775	D	93.6	Very high	95.3	Very high	43 Å²	43	25.2 Å²	25.2	23%	0.23	12%	0.123	C	C	.	.	H	α-helix	trans	-54.8	-35.1	174.4	-80.4	-6.8	0	0	0	113	R393 T773	R393-D775 IonicContact CZ-OD1 2.65Å; R393-D775 IonicContact CZ-OD2 3.71Å; R393-D775 IonicContact NH1-OD2 3.69Å; R393-D775 PolarHBondContact NH1-OD2 3.01Å; R393-D775 IonicContact NH2-OD1 2.69Å; R393-D775 PolarHBondContact NH2-OD1 3.02Å; R393-D775 IonicContact NH2-OD2 2.87Å; R393-D775 PolarHBondContact NH2-OD2 2.84Å; T773-D775 VanDerWaalsContact C-N 3.26Å; T773-D775 PolarHBondContact O-N 3.13Å
776	I	94.6	Very high	95.3	Very high	64 Å²	64	25.1 Å²	25.1	33%	0.328	12%	0.123	S	C	.	.	H	α-helix	trans	-85.9	-49.9	179.1	-62	172.9	0	0	0	109.9	E772 T773 T774 R778 K779	E772-I776 HydrophobicContact CB-CB 4Å; E772-I776 HydrophobicContact CB-CD1 4.45Å; E772-I776 HydrophobicContact CB-CG2 3.88Å; E772-I776 HydrophobicContact CG-CG2 4.27Å; T773-I776 PolarHBondContact O-N 3.36Å; T773-I776 WeakPolarHBondContact OG1-CG1 3.41Å; T774-I776 PolarHBondContact O-N 2.84Å; I776-R778 VanDerWaalsContact C-N 3.31Å; I776-R778 PolarHBondContact O-N 2.81Å; I776-K779 PolarHBondContact O-N 3.23Å
777	A	95.9	Very high	95.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.4	-36.2	-172.9	0	0	0	0	0	112.4	T773 T774 K779 K780	T773-A777 PolarHBondContact O-N 3.04Å; T774-A777 PolarHBondContact O-N 2.76Å; A777-K779 VanDerWaalsContact C-N 3.3Å; A777-K779 PolarHBondContact O-N 3.48Å; A777-K780 WeakPolarHBondContact O-CB 3.19Å; A777-K780 PolarHBondContact O-N 2.95Å; A777-K780 VanDerWaalsContact O-N 3.16Å
778	R	95.3	Very high	95.3	Very high	8 Å²	8	23.7 Å²	23.7	3%	0.03	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-56.6	-42.8	175.7	-71.5	170.5	63.6	84.7	4.9	112.2	Y320 T774 I776 K780 G781 W810 D811 N812 E851	Y320-R778 HydrophobicContact CD1-CG 4.13Å; Y320-R778 HydrophobicContact CE1-CG 3.85Å; T774-R778 VanDerWaalsContact O-CB 3.32Å; T774-R778 WeakPolarHBondContact O-CB 3.33Å; T774-R778 WeakPolarHBondContact O-CD 3.39Å; T774-R778 WeakPolarHBondContact O-CG 3.31Å; T774-R778 PolarHBondContact O-N 3.14Å; I776-R778 VanDerWaalsContact C-N 3.31Å; I776-R778 PolarHBondContact O-N 2.81Å; R778-K780 PolarHBondContact O-N 3.28Å; R778-G781 PolarHBondContact O-N 2.92Å; R778-W810 HydrophobicContact CB-CZ2 4.15Å; R778-W810 HydrophobicContact CG-CH2 4.03Å; R778-W810 HydrophobicContact CG-CZ2 3.81Å; R778-W810 VanDerWaalsContact CZ-CZ2 3.46Å; R778-W810 VanDerWaalsContact NH1-CZ2 3.29Å; R778-D811 PolarHBondContact NH2-O 2.87Å; R778-N812 VanDerWaalsContact NH2-C 3.28Å; R778-N812 PolarHBondContact NH2-O 2.79Å; R778-E851 HydrophobicContact CB-CG 4.14Å; R778-E851 WeakPolarHBondContact CB-OE1 3.39Å; R778-E851 IonicContact CZ-OE1 3.77Å; R778-E851 IonicContact CZ-OE2 3.43Å; R778-E851 IonicContact NE-OE1 3.86Å; R778-E851 PolarHBondContact NE-OE1 3.49Å; R778-E851 VanDerWaalsContact NE-OE1 3.08Å; R778-E851 IonicContact NE-OE2 2.7Å; R778-E851 IonicContact NH2-OE1 3.36Å; R778-E851 IonicContact NH2-OE2 2.69Å; R778-E851 PolarHBondContact NH2-OE2 2.75Å; R778-E851 WeakPolarHBondContact O-CA 3.42Å
779	K	94.2	Very high	95.4	Very high	108 Å²	108	25.2 Å²	25.2	47%	0.47	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-73.4	-7.5	-177.8	-62.2	176.1	-177.1	173.4	0	114.3	I776 A777 E851	I776-K779 PolarHBondContact O-N 3.23Å; A777-K779 VanDerWaalsContact C-N 3.3Å; A777-K779 PolarHBondContact O-N 3.48Å; K779-E851 HydrophobicContact CG-CG 4.43Å
780	K	93.7	Very high	95.3	Very high	100 Å²	100	23.7 Å²	23.7	44%	0.435	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-87.3	-13.7	177.9	-58.8	-66.8	-173.3	177.5	0	112.4	V769 A777 R778 K855	V769-K780 HydrophobicContact CG2-CB 3.95Å; V769-K780 WeakPolarHBondContact CG2-O 3.39Å; A777-K780 WeakPolarHBondContact O-CB 3.19Å; A777-K780 PolarHBondContact O-N 2.95Å; A777-K780 VanDerWaalsContact O-N 3.16Å; R778-K780 PolarHBondContact O-N 3.28Å; K780-K855 VanDerWaalsContact O-CE 3.24Å; K780-K855 WeakPolarHBondContact O-CE 3.46Å; K780-K855 VanDerWaalsContact O-CG 3.26Å; K780-K855 WeakPolarHBondContact O-CG 3.32Å
781	G	91.5	Very high	95.2	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.01	12%	0.122	C	C	.	.			trans	86.9	-172.5	178.5	0	0	0	0	0	114.3	V769 R778 D853	V769-G781 PolarHBondContact N-O 3.45Å; R778-G781 PolarHBondContact O-N 2.92Å; G781-D853 CarbonylContact C-O 3.58Å; G781-D853 VanDerWaalsContact CA-O 3.27Å; G781-D853 WeakPolarHBondContact CA-O 3.33Å
782	F	92.9	Very high	95.2	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	151.3	-169.5	-64.8	-73.1	0	0	0	114.5	P665 M767 V769 L808 W810 E851 D853 K855 Q856 L897	P665-F782 HydrophobicContact CB-CD1 4.32Å; P665-F782 HydrophobicContact CB-CE1 3.83Å; P665-F782 HydrophobicContact CG-CD1 4.05Å; P665-F782 HydrophobicContact CG-CE1 3.69Å; M767-F782 CarbonylContact O-C 3.47Å; M767-F782 VanDerWaalsContact O-CA 3.28Å; M767-F782 WeakPolarHBondContact O-CA 3.31Å; V769-F782 WeakPolarHBondContact CG1-O 3.41Å; F782-L808 HydrophobicContact CD2-CD2 4.47Å; F782-L808 HydrophobicContact CE1-CD1 4.33Å; F782-L808 HydrophobicContact CE1-CD2 4.07Å; F782-L808 HydrophobicContact CE2-CD2 3.92Å; F782-L808 HydrophobicContact CZ-CD2 3.72Å; F782-W810 HydrophobicContact CE1-CD2 4.29Å; F782-W810 AromaticContact CE1-CE3 3.97Å; F782-W810 HydrophobicContact CE1-CE3 3.97Å; F782-W810 AromaticContact CE1-CH2 3.75Å; F782-W810 HydrophobicContact CE1-CH2 3.75Å; F782-W810 HydrophobicContact CE1-CZ2 4.1Å; F782-W810 AromaticContact CE1-CZ3 3.68Å; F782-W810 HydrophobicContact CE1-CZ3 3.68Å; F782-W810 HydrophobicContact CE2-CD2 4.35Å; F782-W810 AromaticContact CZ-CD2 3.46Å; F782-W810 HydrophobicContact CZ-CD2 3.46Å; F782-W810 VanDerWaalsContact CZ-CD2 3.46Å; F782-W810 AromaticContact CZ-CE2 3.49Å; F782-W810 VanDerWaalsContact CZ-CE2 3.49Å; F782-W810 AromaticContact CZ-CE3 3.59Å; F782-W810 HydrophobicContact CZ-CE3 3.59Å; F782-W810 HydrophobicContact CZ-CG 4.03Å; F782-W810 AromaticContact CZ-CH2 3.7Å; F782-W810 HydrophobicContact CZ-CH2 3.7Å; F782-W810 AromaticContact CZ-CZ2 3.6Å; F782-W810 HydrophobicContact CZ-CZ2 3.6Å; F782-W810 AromaticContact CZ-CZ3 3.7Å; F782-W810 HydrophobicContact CZ-CZ3 3.7Å; F782-E851 WeakPolarHBondContact CD2-O 3.34Å; F782-E851 WeakPolarHBondContact CE2-O 3.48Å; F782-D853 PolarHBondContact N-O 2.04Å; F782-K855 PolarHBondContact O-N 3.07Å; F782-Q856 PolarHBondContact O-N 3.22Å; F782-L897 HydrophobicContact CB-CD1 4.47Å; F782-L897 HydrophobicContact CD2-CD1 3.42Å; F782-L897 VanDerWaalsContact CD2-CD1 3.42Å; F782-L897 HydrophobicContact CD2-CG 4.29Å; F782-L897 HydrophobicContact CE2-CD1 3.74Å; F782-L897 HydrophobicContact CG-CD1 4.03Å
783	G	94.7	Very high	95.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	152.1	152.3	0	0	0	0	0	110.3	M767 Q856	M767-G783 VanDerWaalsContact CG-O 3.22Å; M767-G783 WeakPolarHBondContact CG-O 3.47Å; M767-G783 PolarHBondContact N-O 3.16Å; M767-G783 PolarHBondContact O-N 3.06Å; G783-Q856 CarbonylContact C-O 3.6Å; G783-Q856 WeakPolarHBondContact CA-O 3.45Å
784	L	96.8	Very high	95.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.8	167	-58.1	177.5	0	0	0	109.7	P766 V786 F825 V854 Q856 I857 F858	P766-L784 HydrophobicContact CB-CD2 4.15Å; L784-V786 HydrophobicContact CB-CG2 4.24Å; L784-F825 HydrophobicContact CD1-CD1 4.24Å; L784-F825 HydrophobicContact CD1-CE1 3.94Å; L784-F825 HydrophobicContact CD2-CE1 3.94Å; L784-F825 HydrophobicContact CD2-CE2 4.18Å; L784-F825 HydrophobicContact CD2-CZ 3.7Å; L784-V854 HydrophobicContact CD1-CG1 4.41Å; L784-V854 HydrophobicContact CG-CG1 4.34Å; L784-Q856 PolarHBondContact N-O 2.81Å; L784-I857 HydrophobicContact CB-CG1 4.16Å; L784-I857 HydrophobicContact CB-CG2 4.28Å; L784-I857 HydrophobicContact CD1-CD1 4.26Å; L784-I857 HydrophobicContact CD1-CG1 4.29Å; L784-I857 HydrophobicContact CG-CG1 4.42Å; L784-I857 CarbonylContact O-C 3.53Å; L784-I857 WeakPolarHBondContact O-CA 3.4Å; L784-F858 PolarHBondContact O-N 3.21Å
785	F	96.1	Very high	95	Very high	26 Å²	26	27.2 Å²	27.2	11%	0.114	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	96.4	173.3	-164.9	-126.3	0	0	0	108.9	I759 I764 I765 M767 I787 F858 V860	I759-F785 HydrophobicContact CD1-CD1 4.12Å; I759-F785 HydrophobicContact CD1-CE1 3.77Å; I764-F785 WeakPolarHBondContact CA-O 3.27Å; I765-F785 HydrophobicContact CB-CB 4.38Å; I765-F785 PolarHBondContact N-O 2.76Å; I765-F785 PolarHBondContact O-N 3.05Å; M767-F785 HydrophobicContact CE-CB 3.44Å; M767-F785 VanDerWaalsContact CE-CB 3.44Å; M767-F785 HydrophobicContact CE-CG 4.05Å; M767-F785 HydrophobicContact SD-CB 4.46Å; F785-I787 HydrophobicContact CD1-CD1 3.55Å; F785-I787 HydrophobicContact CD1-CG1 3.69Å; F785-I787 HydrophobicContact CE1-CD1 3.46Å; F785-I787 VanDerWaalsContact CE1-CD1 3.46Å; F785-I787 HydrophobicContact CE1-CG1 3.67Å; F785-I787 HydrophobicContact CG-CG1 4.34Å; F785-I787 HydrophobicContact CZ-CD1 4.45Å; F785-I787 HydrophobicContact CZ-CG1 4.3Å; F785-F858 HydrophobicContact CD2-CB 3.67Å; F785-F858 HydrophobicContact CD2-CD2 4.3Å; F785-F858 HydrophobicContact CD2-CG 4.21Å; F785-F858 HydrophobicContact CE2-CB 4.1Å; F785-V860 HydrophobicContact CD2-CG2 4.01Å; F785-V860 HydrophobicContact CE2-CG2 3.36Å; F785-V860 HydrophobicContact CZ-CG2 3.73Å
786	V	97.9	Very high	94.9	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	98.4	-172.9	-179.2	0	0	0	0	108.5	I764 L784 V827 L832 I857 F858 I859 V860	I764-V786 HydrophobicContact CD1-CG1 4.22Å; I764-V786 HydrophobicContact CG1-CG1 4.14Å; I764-V786 HydrophobicContact CG2-CG2 3.98Å; L784-V786 HydrophobicContact CB-CG2 4.24Å; V786-V827 HydrophobicContact CG1-CG2 3.73Å; V786-L832 HydrophobicContact CG2-CD2 3.92Å; V786-I857 HydrophobicContact CG2-CG2 3.88Å; V786-F858 WeakPolarHBondContact CA-O 3.35Å; V786-F858 WeakPolarHBondContact CB-O 3.37Å; V786-F858 PolarHBondContact N-O 3.18Å; V786-I859 HydrophobicContact CB-CG1 4.47Å; V786-V860 PolarHBondContact O-N 3.25Å
787	I	97.4	Very high	94.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	111.7	-177.1	-54	166.4	0	0	0	109.5	I731 I759 C761 G762 C763 F785 A804 V860	I731-I787 HydrophobicContact CD1-CB 4.34Å; I731-I787 HydrophobicContact CD1-CD1 4.4Å; I731-I787 HydrophobicContact CD1-CG1 4.18Å; I731-I787 HydrophobicContact CD1-CG2 3.32Å; I731-I787 HydrophobicContact CG1-CG2 3.92Å; I759-I787 HydrophobicContact CB-CD1 3.83Å; I759-I787 HydrophobicContact CD1-CD1 4.37Å; I759-I787 HydrophobicContact CG2-CD1 3.21Å; C761-I787 HydrophobicContact CB-CG2 4.25Å; G762-I787 CarbonylContact C-O 3.52Å; G762-I787 WeakPolarHBondContact CA-O 3.46Å; G762-I787 PolarHBondContact N-O 3.5Å; C763-I787 WeakPolarHBondContact O-CB 3.4Å; C763-I787 PolarHBondContact O-N 2.91Å; F785-I787 HydrophobicContact CD1-CD1 3.55Å; F785-I787 HydrophobicContact CD1-CG1 3.69Å; F785-I787 HydrophobicContact CE1-CD1 3.46Å; F785-I787 VanDerWaalsContact CE1-CD1 3.46Å; F785-I787 HydrophobicContact CE1-CG1 3.67Å; F785-I787 HydrophobicContact CG-CG1 4.34Å; F785-I787 HydrophobicContact CZ-CD1 4.45Å; F785-I787 HydrophobicContact CZ-CG1 4.3Å; I787-A804 WeakPolarHBondContact O-CB 3.43Å; I787-V860 HydrophobicContact CG1-CB 4.49Å
788	L	97.6	Very high	94.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	144	-179.6	-57.6	177.8	0	0	0	111.5	R738 C761 S790 D792 I802 V827 I859 V860 L862 W905	R738-L788 VanDerWaalsContact CZ-O 3.3Å; R738-L788 PolarHBondContact NH1-O 2.95Å; R738-L788 PolarHBondContact NH2-O 3.08Å; C761-L788 WeakPolarHBondContact CB-O 3.36Å; L788-S790 VanDerWaalsContact CB-O 3.31Å; L788-S790 WeakPolarHBondContact CB-O 3.47Å; L788-S790 PolarHBondContact O-N 3.49Å; L788-D792 HydrophobicContact CD1-CB 4.13Å; L788-I802 HydrophobicContact CD1-CD1 4.15Å; L788-I802 HydrophobicContact CD2-CD1 4.46Å; L788-V827 HydrophobicContact CD2-CG1 3.85Å; L788-V827 HydrophobicContact CD2-CG2 4.42Å; L788-I859 HydrophobicContact CD1-CG2 4.32Å; L788-I859 HydrophobicContact CG-CG2 4.42Å; L788-V860 WeakPolarHBondContact CB-O 3.49Å; L788-V860 WeakPolarHBondContact CG-O 3.33Å; L788-V860 PolarHBondContact N-O 3.18Å; L788-L862 HydrophobicContact CD1-CD2 3.63Å; L788-L862 HydrophobicContact CD1-CG 4.41Å; L788-W905 HydrophobicContact CD1-CZ2 4.25Å; L788-W905 HydrophobicContact CD2-CH2 4Å; L788-W905 HydrophobicContact CD2-CZ2 3.94Å
789	S	96.8	Very high	94.5	Very high	33 Å²	33	31.4 Å²	31.4	23%	0.231	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	-27.1	178.9	62.4	0	0	0	0	112.8	T803	S789-T803 WeakPolarHBondContact CA-O 3.33Å; S789-T803 WeakPolarHBondContact CB-O 3.07Å; S789-T803 WeakPolarHBondContact CB-OG1 3.41Å; S789-T803 PolarHBondContact N-O 3.26Å; S789-T803 PolarHBondContact OG-N 2.78Å; S789-T803 PolarHBondContact OG-O 3.38Å; S789-T803 PolarHBondContact OG-OG1 3.31Å
790	S	93.7	Very high	94.4	Very high	6 Å²	6	33 Å²	33	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	168.3	175.1	60.2	0	0	0	0	111.3	E729 L788 R801 I802	E729-S790 VanDerWaalsContact OE2-CA 3.32Å; E729-S790 WeakPolarHBondContact OE2-CA 3.33Å; L788-S790 VanDerWaalsContact CB-O 3.31Å; L788-S790 WeakPolarHBondContact CB-O 3.47Å; L788-S790 PolarHBondContact O-N 3.49Å; S790-R801 VanDerWaalsContact CB-NH1 3.29Å; S790-R801 PolarHBondContact OG-NE 3.27Å; S790-R801 PolarHBondContact OG-NH1 2.79Å; S790-R801 PolarHBondContact OG-NH2 2.89Å; S790-I802 WeakPolarHBondContact O-CG2 3.37Å; S790-I802 WeakPolarHBondContact OG-CG2 3.05Å
791	T	93.3	Very high	94.4	Very high	36 Å²	36	35.1 Å²	35.1	22%	0.221	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	133.6	172.7	-55	0	0	0	0	111.8	R801 G861 S863	T791-R801 PolarHBondContact O-NH2 3.36Å; T791-G861 CarbonylContact C-O 3.52Å; T791-G861 VanDerWaalsContact CA-O 3.29Å; T791-G861 WeakPolarHBondContact CA-O 3.43Å; T791-S863 VanDerWaalsContact CG2-CB 3.47Å; T791-S863 WeakPolarHBondContact CG2-OG 3.31Å
792	D	95.1	Very high	94.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	113.3	166.8	-167	-6.8	0	0	0	109.7	L788 G794 I802 R830 G861 L862 S863 W905 F907	L788-D792 HydrophobicContact CD1-CB 4.13Å; D792-G794 PolarHBondContact OD1-N 2.96Å; D792-I802 HydrophobicContact CB-CD1 3.86Å; D792-I802 HydrophobicContact CB-CG2 4.2Å; D792-I802 WeakPolarHBondContact OD2-CD1 3.28Å; D792-R830 IonicContact OD1-CZ 3.97Å; D792-R830 IonicContact OD1-NE 3.76Å; D792-R830 PolarHBondContact OD1-NE 2.85Å; D792-R830 IonicContact OD1-NH2 3.82Å; D792-R830 PolarHBondContact OD1-NH2 3.22Å; D792-R830 IonicContact OD2-CZ 3.53Å; D792-R830 IonicContact OD2-NE 3.38Å; D792-R830 PolarHBondContact OD2-NE 3.31Å; D792-R830 IonicContact OD2-NH2 2.74Å; D792-G861 PolarHBondContact N-O 2.92Å; D792-L862 HydrophobicContact CB-CD2 3.89Å; D792-S863 PolarHBondContact O-N 2.96Å; D792-S863 PolarHBondContact O-OG 3.48Å; D792-W905 PolarHBondContact OD2-NE1 3.43Å; D792-F907 WeakPolarHBondContact OD2-CE2 3.1Å
793	D	93.8	Very high	94.9	Very high	83 Å²	83	38.1 Å²	38.1	44%	0.444	21%	0.213	S	C	.	.			trans	-96	2.7	180	64.2	6.4	0	0	0	113.7	S795 A798 S863	D793-S795 WeakPolarHBondContact OD1-CB 3.25Å; D793-S795 PolarHBondContact OD1-N 3.17Å; D793-S795 PolarHBondContact OD1-OG 2.71Å; D793-A798 WeakPolarHBondContact OD1-CB 3.36Å; D793-S863 VanDerWaalsContact CA-OG 3.3Å; D793-S863 WeakPolarHBondContact CA-OG 3.47Å
794	G	94.4	Very high	95.1	Very high	16 Å²	16	38.3 Å²	38.3	17%	0.165	21%	0.214	C	C	.	.	S	Bend	trans	89.4	-7.9	-175.8	0	0	0	0	0	114.7	D792 R830 F907	D792-G794 PolarHBondContact OD1-N 2.96Å; G794-R830 PolarHBondContact O-NH2 2.86Å; G794-R830 VanDerWaalsContact O-NH2 3.13Å; G794-F907 VanDerWaalsContact CA-CD2 3.46Å; G794-F907 VanDerWaalsContact CA-CG 3.45Å
795	S	95	Very high	95.2	Very high	47 Å²	47	41.9 Å²	41.9	33%	0.329	24%	0.24	S	C	.	.			trans	-74.1	146.9	173.8	70.8	0	0	0	0	112.3	D793 A797 A798 G799 R830	D793-S795 WeakPolarHBondContact OD1-CB 3.25Å; D793-S795 PolarHBondContact OD1-N 3.17Å; D793-S795 PolarHBondContact OD1-OG 2.71Å; S795-A797 PolarHBondContact O-N 3.21Å; S795-A798 PolarHBondContact O-N 2.87Å; S795-A798 WeakPolarHBondContact OG-CB 3.33Å; S795-A798 PolarHBondContact OG-N 3Å; S795-G799 PolarHBondContact O-N 2.84Å; S795-R830 PolarHBondContact O-NH2 3.27Å
796	D	92.5	Very high	95.3	Very high	123 Å²	123	41.7 Å²	41.7	66%	0.658	25%	0.245	S	C	*	.	H	α-helix	trans	-57.3	-34.9	178.2	-67	-28.8	0	0	0	112.6	A798 G799 Q800 R830	D796-A798 PolarHBondContact O-N 3.19Å; D796-G799 PolarHBondContact O-N 2.8Å; D796-Q800 WeakPolarHBondContact O-CG 3.43Å; D796-Q800 PolarHBondContact O-N 3.32Å; D796-R830 IonicContact OD1-NH1 3.35Å
797	A	93.6	Very high	95.3	Very high	70 Å²	70	43.7 Å²	43.7	58%	0.579	25%	0.254	S	S	*	.	H	α-helix	trans	-62	-41.3	175.7	0	0	0	0	0	112.4	S795 R801	S795-A797 PolarHBondContact O-N 3.21Å; A797-R801 WeakPolarHBondContact O-CB 3.36Å; A797-R801 PolarHBondContact O-N 3.5Å
798	A	92.8	Very high	95.3	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.033	25%	0.254	C	S	.	.	H	α-helix	trans	-66.7	-43	174	0	0	0	0	0	111.1	D793 S795 D796 Q800 R801 I802	D793-A798 WeakPolarHBondContact OD1-CB 3.36Å; S795-A798 PolarHBondContact O-N 2.87Å; S795-A798 WeakPolarHBondContact OG-CB 3.33Å; S795-A798 PolarHBondContact OG-N 3Å; D796-A798 PolarHBondContact O-N 3.19Å; A798-Q800 VanDerWaalsContact C-N 3.3Å; A798-Q800 PolarHBondContact O-N 2.79Å; A798-R801 PolarHBondContact O-N 2.78Å; A798-R801 VanDerWaalsContact O-N 3.09Å; A798-I802 WeakPolarHBondContact O-CG1 2.97Å; A798-I802 WeakPolarHBondContact O-CG2 3.21Å; A798-I802 PolarHBondContact O-N 3.09Å
799	G	91.1	Very high	95.3	Very high	5 Å²	5	43.7 Å²	43.7	5%	0.052	25%	0.254	C	S	.	.	H	α-helix	trans	-58.2	-37.5	177.7	0	0	0	0	0	114.1	S795 D796 D829	S795-G799 PolarHBondContact O-N 2.84Å; D796-G799 PolarHBondContact O-N 2.8Å; G799-D829 WeakPolarHBondContact O-CA 3.47Å
800	Q	91.8	Very high	95.3	Very high	142 Å²	142	42.2 Å²	42.2	66%	0.664	24%	0.244	S	C	*	.	H	α-helix	trans	-76.7	-25.7	176.5	-70.5	174.6	1	0	0	113.5	D796 A798	D796-Q800 WeakPolarHBondContact O-CG 3.43Å; D796-Q800 PolarHBondContact O-N 3.32Å; A798-Q800 VanDerWaalsContact C-N 3.3Å; A798-Q800 PolarHBondContact O-N 2.79Å
801	R	94.4	Very high	95.4	Very high	145 Å²	145	41.9 Å²	41.9	55%	0.547	24%	0.242	S	C	.	.	H	α-helix	trans	-89.6	-35.1	-175.3	-177.1	179.7	64.1	118.3	-0.4	113.2	S790 T791 A797 A798 T803	S790-R801 VanDerWaalsContact CB-NH1 3.29Å; S790-R801 PolarHBondContact OG-NE 3.27Å; S790-R801 PolarHBondContact OG-NH1 2.79Å; S790-R801 PolarHBondContact OG-NH2 2.89Å; T791-R801 PolarHBondContact O-NH2 3.36Å; A797-R801 WeakPolarHBondContact O-CB 3.36Å; A797-R801 PolarHBondContact O-N 3.5Å; A798-R801 PolarHBondContact O-N 2.78Å; A798-R801 VanDerWaalsContact O-N 3.09Å; R801-T803 PolarHBondContact O-N 3.19Å
802	I	96.6	Very high	95.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.243	C	C	.	.			trans	-65.4	134.7	-178	60.4	-176.7	0	0	0	110.7	L788 S790 D792 A798 R830 W905	L788-I802 HydrophobicContact CD1-CD1 4.15Å; L788-I802 HydrophobicContact CD2-CD1 4.46Å; S790-I802 WeakPolarHBondContact O-CG2 3.37Å; S790-I802 WeakPolarHBondContact OG-CG2 3.05Å; D792-I802 HydrophobicContact CB-CD1 3.86Å; D792-I802 HydrophobicContact CB-CG2 4.2Å; D792-I802 WeakPolarHBondContact OD2-CD1 3.28Å; A798-I802 WeakPolarHBondContact O-CG1 2.97Å; A798-I802 WeakPolarHBondContact O-CG2 3.21Å; A798-I802 PolarHBondContact O-N 3.09Å; I802-R830 HydrophobicContact CD1-CG 4.03Å; I802-W905 HydrophobicContact CD1-CZ2 3.75Å
803	T	98	Very high	95.3	Very high	64 Å²	64	42.6 Å²	42.6	39%	0.393	25%	0.245	S	C	.	.			trans	-139.1	158.9	174.2	56.5	0	0	0	0	109	S789 R801 V827	S789-T803 WeakPolarHBondContact CA-O 3.33Å; S789-T803 WeakPolarHBondContact CB-O 3.07Å; S789-T803 WeakPolarHBondContact CB-OG1 3.41Å; S789-T803 PolarHBondContact N-O 3.26Å; S789-T803 PolarHBondContact OG-N 2.78Å; S789-T803 PolarHBondContact OG-O 3.38Å; S789-T803 PolarHBondContact OG-OG1 3.31Å; R801-T803 PolarHBondContact O-N 3.19Å; T803-V827 VanDerWaalsContact CA-O 3.31Å; T803-V827 WeakPolarHBondContact CA-O 3.23Å
804	A	98.4	Very high	95.2	Very high	4 Å²	4	40 Å²	40	3%	0.033	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	148.7	164.9	0	0	0	0	0	107.9	G762 I764 I787 E826 V827	G762-A804 CarbonylContact O-C 3.55Å; G762-A804 WeakPolarHBondContact O-CA 3.38Å; I764-A804 HydrophobicContact CD1-CB 3.93Å; I764-A804 HydrophobicContact CG1-CB 3.69Å; I787-A804 WeakPolarHBondContact O-CB 3.43Å; A804-E826 CarbonylContact O-C 3.27Å; A804-E826 WeakPolarHBondContact O-CA 3.46Å; A804-V827 HydrophobicContact CB-CB 3.97Å; A804-V827 HydrophobicContact CB-CG2 4.05Å; A804-V827 PolarHBondContact N-O 3.23Å; A804-V827 PolarHBondContact O-N 3Å
805	S	98.6	Very high	94.8	Very high	76 Å²	76	40.9 Å²	40.9	53%	0.531	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	149.9	177.3	61.2	0	0	0	0	110.9	G762 I764 F825	G762-S805 PolarHBondContact O-N 3.02Å; I764-S805 PolarHBondContact N-O 3.03Å; S805-F825 VanDerWaalsContact CA-O 3.31Å; S805-F825 WeakPolarHBondContact CA-O 3.14Å
806	G	98.4	Very high	94	Very high	22 Å²	22	40.4 Å²	40.4	23%	0.227	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	-174.2	170.6	0	0	0	0	0	110	F825	G806-F825 PolarHBondContact N-O 3.41Å; G806-F825 PolarHBondContact O-N 3.49Å
807	E	98.2	Very high	93.5	Very high	42 Å²	42	40 Å²	40	20%	0.196	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	163.8	-178.9	55.8	178.1	142.8	0	0	110.8	T669 R673 P766 H822 V823	T669-E807 HydrophobicContact CG2-CG 3.75Å; R673-E807 IonicContact CZ-OE1 3.3Å; R673-E807 IonicContact CZ-OE2 3.35Å; R673-E807 IonicContact NE-OE1 3.77Å; R673-E807 PolarHBondContact NE-OE1 2.86Å; R673-E807 IonicContact NE-OE2 2.7Å; R673-E807 PolarHBondContact NE-OE2 2.81Å; R673-E807 VanDerWaalsContact NE-OE2 3.1Å; R673-E807 IonicContact NH2-OE1 3.1Å; R673-E807 PolarHBondContact NH2-OE1 3.39Å; R673-E807 IonicContact NH2-OE2 3.09Å; R673-E807 PolarHBondContact NH2-OE2 3.15Å; P766-E807 WeakPolarHBondContact CG-O 3.45Å; E807-H822 IonicContact OE2-CD2 2.76Å; E807-H822 IonicContact OE2-CE1 3.81Å; E807-H822 IonicContact OE2-NE2 3.82Å; E807-H822 PolarHBondContact OE2-NE2 2.87Å; E807-V823 CarbonylContact C-O 3.55Å; E807-V823 WeakPolarHBondContact CA-O 3.23Å; E807-V823 WeakPolarHBondContact CB-O 3.28Å
808	L	98.2	Very high	93.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	128	171.4	174.8	69.2	0	0	0	108.7	P665 P766 F782 W810 H822 V823 F825 L897	P665-L808 HydrophobicContact CB-CD1 3.77Å; P766-L808 HydrophobicContact CB-CB 4.29Å; P766-L808 HydrophobicContact CB-CD1 3.96Å; P766-L808 HydrophobicContact CG-CB 4.2Å; P766-L808 HydrophobicContact CG-CD1 3.93Å; F782-L808 HydrophobicContact CD2-CD2 4.47Å; F782-L808 HydrophobicContact CE1-CD1 4.33Å; F782-L808 HydrophobicContact CE1-CD2 4.07Å; F782-L808 HydrophobicContact CE2-CD2 3.92Å; F782-L808 HydrophobicContact CZ-CD2 3.72Å; L808-W810 HydrophobicContact CD1-CE3 3.95Å; L808-W810 HydrophobicContact CD2-CB 4.2Å; L808-W810 HydrophobicContact CG-CB 4.21Å; L808-H822 PolarHBondContact O-CD2 3.16Å; L808-V823 HydrophobicContact CB-CB 4.21Å; L808-V823 PolarHBondContact N-O 3.24Å; L808-V823 PolarHBondContact O-N 3.4Å; L808-F825 HydrophobicContact CB-CE2 3.86Å; L808-F825 HydrophobicContact CB-CZ 3.89Å; L808-L897 HydrophobicContact CD2-CD1 3.33Å
809	F	96.9	Very high	93.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	126.2	158.3	168.8	-95	0	0	0	108.5	I317 Y668 T669 Y672 D811 Y820	I317-F809 HydrophobicContact CD1-CD1 4.45Å; I317-F809 HydrophobicContact CD1-CE1 3.69Å; I317-F809 HydrophobicContact CD1-CE2 3.94Å; I317-F809 HydrophobicContact CD1-CZ 3.4Å; I317-F809 HydrophobicContact CG2-CE1 4.14Å; Y668-F809 AromaticContact CD1-CD1 3.7Å; Y668-F809 HydrophobicContact CD1-CD1 3.7Å; Y668-F809 HydrophobicContact CD1-CE1 4.08Å; Y668-F809 AromaticContact CE1-CD1 3.52Å; Y668-F809 HydrophobicContact CE1-CD1 3.52Å; Y668-F809 AromaticContact CE1-CE1 3.41Å; Y668-F809 HydrophobicContact CE1-CE1 3.41Å; Y668-F809 VanDerWaalsContact CE1-CE1 3.41Å; Y668-F809 AromaticContact CZ-CE1 3.81Å; T669-F809 HydrophobicContact CG2-CB 4.2Å; T669-F809 PolarHBondContact OG1-N 2.7Å; Y672-F809 HydrophobicContact CD1-CB 3.72Å; Y672-F809 HydrophobicContact CD1-CD2 4.02Å; Y672-F809 HydrophobicContact CD1-CG 4.09Å; Y672-F809 HydrophobicContact CD2-CB 4.33Å; Y672-F809 HydrophobicContact CD2-CD1 4.49Å; Y672-F809 AromaticContact CD2-CD2 3.23Å; Y672-F809 HydrophobicContact CD2-CD2 3.23Å; Y672-F809 AromaticContact CD2-CE2 3.49Å; Y672-F809 HydrophobicContact CD2-CE2 3.49Å; Y672-F809 VanDerWaalsContact CD2-CE2 3.49Å; Y672-F809 AromaticContact CD2-CG 3.78Å; Y672-F809 HydrophobicContact CD2-CG 3.78Å; Y672-F809 HydrophobicContact CD2-CZ 4.27Å; Y672-F809 HydrophobicContact CE1-CB 4.48Å; Y672-F809 HydrophobicContact CE1-CD2 4.33Å; Y672-F809 AromaticContact CE2-CD2 3.62Å; Y672-F809 HydrophobicContact CE2-CD2 3.62Å; Y672-F809 AromaticContact CE2-CE2 3.84Å; Y672-F809 HydrophobicContact CE2-CE2 3.84Å; Y672-F809 HydrophobicContact CG-CB 3.62Å; Y672-F809 HydrophobicContact CG-CD1 4.28Å; Y672-F809 AromaticContact CG-CD2 3.44Å; Y672-F809 HydrophobicContact CG-CD2 3.44Å; Y672-F809 VanDerWaalsContact CG-CD2 3.44Å; Y672-F809 HydrophobicContact CG-CE2 4.14Å; Y672-F809 AromaticContact CG-CG 3.52Å; Y672-F809 HydrophobicContact CG-CG 3.52Å; F809-D811 HydrophobicContact CE1-CB 4.4Å; F809-D811 WeakPolarHBondContact CE1-OD2 3.4Å; F809-D811 HydrophobicContact CZ-CB 4.16Å; F809-D811 WeakPolarHBondContact CZ-OD2 3.2Å; F809-Y820 HydrophobicContact CD2-CD1 4.44Å; F809-Y820 AromaticContact CD2-CD2 3.97Å; F809-Y820 HydrophobicContact CD2-CD2 3.97Å; F809-Y820 AromaticContact CD2-CG 3.91Å; F809-Y820 HydrophobicContact CD2-CG 3.91Å; F809-Y820 AromaticContact CE2-CD1 3.59Å; F809-Y820 HydrophobicContact CE2-CD1 3.59Å; F809-Y820 AromaticContact CE2-CD2 3.89Å; F809-Y820 HydrophobicContact CE2-CD2 3.89Å; F809-Y820 HydrophobicContact CE2-CE1 4.32Å; F809-Y820 AromaticContact CE2-CG 3.37Å; F809-Y820 HydrophobicContact CE2-CG 3.37Å; F809-Y820 HydrophobicContact CZ-CD1 4.4Å; F809-Y820 HydrophobicContact CZ-CG 4.28Å
810	W	96.9	Very high	93.3	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	128.1	175.1	-155.9	-105.8	0	0	0	112.3	Y320 P665 Y668 R778 F782 L808 Y820 V821 I847 E851 L852	Y320-W810 HydrophobicContact CD2-CH2 4.48Å; Y320-W810 HydrophobicContact CD2-CZ3 4.31Å; Y320-W810 HydrophobicContact CE1-CH2 4.43Å; Y320-W810 HydrophobicContact CE2-CE3 4.43Å; Y320-W810 AromaticContact CE2-CH2 3.68Å; Y320-W810 HydrophobicContact CE2-CH2 3.68Å; Y320-W810 AromaticContact CE2-CZ3 3.46Å; Y320-W810 HydrophobicContact CE2-CZ3 3.46Å; Y320-W810 VanDerWaalsContact CE2-CZ3 3.46Å; Y320-W810 AromaticContact CZ-CH2 3.63Å; Y320-W810 AromaticContact CZ-CZ3 3.84Å; P665-W810 HydrophobicContact CB-CZ3 3.96Å; P665-W810 HydrophobicContact CG-CH2 4.37Å; P665-W810 HydrophobicContact CG-CZ3 4.03Å; Y668-W810 HydrophobicContact CD1-CE3 4.44Å; R778-W810 HydrophobicContact CB-CZ2 4.15Å; R778-W810 HydrophobicContact CG-CH2 4.03Å; R778-W810 HydrophobicContact CG-CZ2 3.81Å; R778-W810 VanDerWaalsContact CZ-CZ2 3.46Å; R778-W810 VanDerWaalsContact NH1-CZ2 3.29Å; F782-W810 HydrophobicContact CE1-CD2 4.29Å; F782-W810 AromaticContact CE1-CE3 3.97Å; F782-W810 HydrophobicContact CE1-CE3 3.97Å; F782-W810 AromaticContact CE1-CH2 3.75Å; F782-W810 HydrophobicContact CE1-CH2 3.75Å; F782-W810 HydrophobicContact CE1-CZ2 4.1Å; F782-W810 AromaticContact CE1-CZ3 3.68Å; F782-W810 HydrophobicContact CE1-CZ3 3.68Å; F782-W810 HydrophobicContact CE2-CD2 4.35Å; F782-W810 AromaticContact CZ-CD2 3.46Å; F782-W810 HydrophobicContact CZ-CD2 3.46Å; F782-W810 VanDerWaalsContact CZ-CD2 3.46Å; F782-W810 AromaticContact CZ-CE2 3.49Å; F782-W810 VanDerWaalsContact CZ-CE2 3.49Å; F782-W810 AromaticContact CZ-CE3 3.59Å; F782-W810 HydrophobicContact CZ-CE3 3.59Å; F782-W810 HydrophobicContact CZ-CG 4.03Å; F782-W810 AromaticContact CZ-CH2 3.7Å; F782-W810 HydrophobicContact CZ-CH2 3.7Å; F782-W810 AromaticContact CZ-CZ2 3.6Å; F782-W810 HydrophobicContact CZ-CZ2 3.6Å; F782-W810 AromaticContact CZ-CZ3 3.7Å; F782-W810 HydrophobicContact CZ-CZ3 3.7Å; L808-W810 HydrophobicContact CD1-CE3 3.95Å; L808-W810 HydrophobicContact CD2-CB 4.2Å; L808-W810 HydrophobicContact CG-CB 4.21Å; W810-Y820 CarbonylContact O-C 3.59Å; W810-Y820 VanDerWaalsContact O-CA 3.22Å; W810-Y820 WeakPolarHBondContact O-CA 3.45Å; W810-Y820 WeakPolarHBondContact O-CB 3.34Å; W810-V821 HydrophobicContact CB-CG1 4.07Å; W810-V821 PolarHBondContact N-O 3.46Å; W810-V821 PolarHBondContact O-N 3.1Å; W810-I847 WeakPolarHBondContact O-CD1 3.04Å; W810-E851 PolarHBondContact NE1-OE2 3.46Å; W810-E851 VanDerWaalsContact NE1-OE2 3.11Å; W810-L852 HydrophobicContact CB-CD2 4.39Å; W810-L852 HydrophobicContact CG-CD2 4.21Å
811	D	95.2	Very high	93.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	-165.4	171.8	56.1	18.7	0	0	0	108.3	R552 Y668 R778 F809 G813 N819	R552-D811 IonicContact CZ-OD2 2.77Å; R552-D811 IonicContact NH1-OD2 3.03Å; R552-D811 PolarHBondContact NH1-OD2 2.75Å; R552-D811 IonicContact NH2-OD2 3.16Å; R552-D811 PolarHBondContact NH2-OD2 3.38Å; Y668-D811 VanDerWaalsContact CE1-OD1 3.29Å; Y668-D811 WeakPolarHBondContact CE1-OD1 3.48Å; Y668-D811 PolarHBondContact OH-OD1 2.95Å; Y668-D811 PolarHBondContact OH-OD2 3.31Å; R778-D811 PolarHBondContact NH2-O 2.87Å; F809-D811 HydrophobicContact CE1-CB 4.4Å; F809-D811 WeakPolarHBondContact CE1-OD2 3.4Å; F809-D811 HydrophobicContact CZ-CB 4.16Å; F809-D811 WeakPolarHBondContact CZ-OD2 3.2Å; D811-G813 PolarHBondContact O-N 2.89Å; D811-G813 VanDerWaalsContact OD1-CA 3.31Å; D811-G813 WeakPolarHBondContact OD1-CA 3.33Å; D811-G813 PolarHBondContact OD1-N 3.2Å; D811-N819 VanDerWaalsContact CB-O 3.32Å; D811-N819 WeakPolarHBondContact CB-O 3.47Å
812	N	92.5	Very high	93.7	Very high	46 Å²	46	29.6 Å²	29.6	25%	0.246	18%	0.176	C	C	.	.			trans	-76.9	-0.8	176.4	82.1	-17.2	0	0	0	114.8	R778 D814 D815 K846	R778-N812 VanDerWaalsContact NH2-C 3.28Å; R778-N812 PolarHBondContact NH2-O 2.79Å; N812-D814 PolarHBondContact O-N 3.49Å; N812-D814 PolarHBondContact OD1-N 2.96Å; N812-D814 VanDerWaalsContact OD1-N 3.09Å; N812-D815 VanDerWaalsContact CG-CG 3.44Å; N812-D815 PolarHBondContact ND2-OD1 3.05Å; N812-D815 PolarHBondContact ND2-OD2 3.43Å; N812-D815 VanDerWaalsContact ND2-OD2 3.17Å; N812-D815 VanDerWaalsContact OD1-CB 3.23Å; N812-D815 WeakPolarHBondContact OD1-CB 3.5Å; N812-D815 PolarHBondContact OD1-N 3.33Å; N812-K846 WeakPolarHBondContact CB-O 3.47Å
813	G	94.5	Very high	93.7	Very high	4 Å²	4	29.6 Å²	29.6	4%	0.041	18%	0.176	C	C	.	.	S	Bend	trans	85.3	-8.3	175.5	0	0	0	0	0	116.8	P319 Y320 D811	P319-G813 CarbonylContact C-O 3.5Å; P319-G813 VanDerWaalsContact CA-O 3.31Å; P319-G813 WeakPolarHBondContact CA-O 3.2Å; Y320-G813 PolarHBondContact N-O 3.39Å; D811-G813 PolarHBondContact O-N 2.89Å; D811-G813 VanDerWaalsContact OD1-CA 3.31Å; D811-G813 WeakPolarHBondContact OD1-CA 3.33Å; D811-G813 PolarHBondContact OD1-N 3.2Å
814	D	91.9	Very high	93.8	Very high	28 Å²	28	32.2 Å²	32.2	15%	0.15	18%	0.182	C	C	.	.	S	Bend	trans	-141	-18.5	-174.7	-154.3	27.4	0	0	0	113.3	P319 K551 R552 N812 G816	P319-D814 WeakPolarHBondContact CB-OD1 3.31Å; K551-D814 CarbonylContact C-O 3.55Å; K551-D814 VanDerWaalsContact CA-O 3.32Å; K551-D814 WeakPolarHBondContact CA-O 3.45Å; K551-D814 WeakPolarHBondContact CD-OD2 3.32Å; R552-D814 WeakPolarHBondContact CG-O 3.23Å; R552-D814 PolarHBondContact N-O 3.08Å; N812-D814 PolarHBondContact O-N 3.49Å; N812-D814 PolarHBondContact OD1-N 2.96Å; N812-D814 VanDerWaalsContact OD1-N 3.09Å; D814-G816 PolarHBondContact O-N 3.33Å
815	D	84.6	Confident	93.8	Very high	35 Å²	35	32.2 Å²	32.2	19%	0.187	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-66.9	132.1	-173.9	-85.9	7.5	0	0	0	113.1	D550 R552 N812 N817	D550-D815 VanDerWaalsContact O-CA 3.32Å; D550-D815 WeakPolarHBondContact O-CA 3.19Å; R552-D815 PolarHBondContact NE-O 3.43Å; R552-D815 PolarHBondContact NH2-O 3.34Å; N812-D815 VanDerWaalsContact CG-CG 3.44Å; N812-D815 PolarHBondContact ND2-OD1 3.05Å; N812-D815 PolarHBondContact ND2-OD2 3.43Å; N812-D815 VanDerWaalsContact ND2-OD2 3.17Å; N812-D815 VanDerWaalsContact OD1-CB 3.23Å; N812-D815 WeakPolarHBondContact OD1-CB 3.5Å; N812-D815 PolarHBondContact OD1-N 3.33Å; D815-N817 VanDerWaalsContact C-N 3.32Å; D815-N817 PolarHBondContact O-N 3.08Å
816	G	78.5	Confident	93.8	Very high	38 Å²	38	33.6 Å²	33.6	39%	0.392	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-28.1	172.4	0	0	0	0	0	114.2	D550 D814 L818	D550-G816 PolarHBondContact O-N 3.41Å; D814-G816 PolarHBondContact O-N 3.33Å; G816-L818 VanDerWaalsContact C-N 3.3Å; G816-L818 PolarHBondContact O-N 3.38Å
817	N	81.7	Confident	93.8	Very high	115 Å²	115	32.6 Å²	32.6	62%	0.615	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-0.2	-174.3	-69.4	-42.4	0	0	0	114.9	D815 N819	D815-N817 VanDerWaalsContact C-N 3.32Å; D815-N817 PolarHBondContact O-N 3.08Å; N817-N819 PolarHBondContact O-N 2.68Å
818	L	86.9	Confident	93.7	Very high	34 Å²	34	38 Å²	38	18%	0.178	19%	0.188	C	C	.	.			trans	50.1	53.1	179.2	-58.2	-177.4	0	0	0	113.7	I317 R552 Y675 G816 Y820	I317-L818 HydrophobicContact CD1-CD1 4.47Å; I317-L818 HydrophobicContact CD1-CD2 3.96Å; R552-L818 VanDerWaalsContact NH2-CD2 3.3Å; Y675-L818 HydrophobicContact CE1-CD1 3.78Å; G816-L818 VanDerWaalsContact C-N 3.3Å; G816-L818 PolarHBondContact O-N 3.38Å; L818-Y820 HydrophobicContact CB-CD1 4.26Å; L818-Y820 WeakPolarHBondContact O-CD1 3.18Å; L818-Y820 PolarHBondContact O-N 3.38Å
819	N	92.6	Very high	93.6	Very high	34 Å²	34	42.3 Å²	42.3	18%	0.182	21%	0.211	C	C	.	.			trans	-77.8	99	167.2	-69.3	-68	0	0	0	109.5	D811 N817 K846	D811-N819 VanDerWaalsContact CB-O 3.32Å; D811-N819 WeakPolarHBondContact CB-O 3.47Å; N817-N819 PolarHBondContact O-N 2.68Å; N819-K846 HydrophobicContact CB-CB 3.92Å; N819-K846 HydrophobicContact CB-CG 4.01Å
820	Y	95.2	Very high	93.6	Very high	56 Å²	56	43.4 Å²	43.4	22%	0.22	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	168.5	-174.5	67.3	-96.7	0	0	0	113.9	F809 W810 L818 H822 S839 S843	F809-Y820 HydrophobicContact CD2-CD1 4.44Å; F809-Y820 AromaticContact CD2-CD2 3.97Å; F809-Y820 HydrophobicContact CD2-CD2 3.97Å; F809-Y820 AromaticContact CD2-CG 3.91Å; F809-Y820 HydrophobicContact CD2-CG 3.91Å; F809-Y820 AromaticContact CE2-CD1 3.59Å; F809-Y820 HydrophobicContact CE2-CD1 3.59Å; F809-Y820 AromaticContact CE2-CD2 3.89Å; F809-Y820 HydrophobicContact CE2-CD2 3.89Å; F809-Y820 HydrophobicContact CE2-CE1 4.32Å; F809-Y820 AromaticContact CE2-CG 3.37Å; F809-Y820 HydrophobicContact CE2-CG 3.37Å; F809-Y820 HydrophobicContact CZ-CD1 4.4Å; F809-Y820 HydrophobicContact CZ-CG 4.28Å; W810-Y820 CarbonylContact O-C 3.59Å; W810-Y820 VanDerWaalsContact O-CA 3.22Å; W810-Y820 WeakPolarHBondContact O-CA 3.45Å; W810-Y820 WeakPolarHBondContact O-CB 3.34Å; L818-Y820 HydrophobicContact CB-CD1 4.26Å; L818-Y820 WeakPolarHBondContact O-CD1 3.18Å; L818-Y820 PolarHBondContact O-N 3.38Å; Y820-H822 HydrophobicContact CD2-CB 4.2Å; Y820-H822 HydrophobicContact CE2-CB 3.98Å; Y820-S839 PolarHBondContact N-OG 2.92Å; Y820-S839 WeakPolarHBondContact O-CB 3.44Å; Y820-S839 PolarHBondContact O-N 3.32Å; Y820-S839 PolarHBondContact O-OG 3.44Å; Y820-S843 WeakPolarHBondContact O-CB 3.4Å; Y820-S843 PolarHBondContact O-OG 3.43Å
821	V	96.5	Very high	93.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.9	159	60.6	0	0	0	0	108.6	W810 V823 L844 I847 L852	W810-V821 HydrophobicContact CB-CG1 4.07Å; W810-V821 PolarHBondContact N-O 3.46Å; W810-V821 PolarHBondContact O-N 3.1Å; V821-V823 HydrophobicContact CG2-CG2 4.09Å; V821-L844 HydrophobicContact CB-CD2 3.99Å; V821-L844 HydrophobicContact CG1-CD2 4.35Å; V821-L844 HydrophobicContact CG2-CD2 4.29Å; V821-I847 HydrophobicContact CB-CD1 4.49Å; V821-I847 HydrophobicContact CG1-CD1 4.01Å; V821-L852 HydrophobicContact CG1-CD1 4.46Å; V821-L852 HydrophobicContact CG1-CD2 3.8Å
822	H	97	Very high	93.8	Very high	22 Å²	22	44.8 Å²	44.8	10%	0.102	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	122.5	171.7	-178.4	-139	0	0	0	108.5	E807 L808 Y820 T837	E807-H822 IonicContact OE2-CD2 2.76Å; E807-H822 IonicContact OE2-CE1 3.81Å; E807-H822 IonicContact OE2-NE2 3.82Å; E807-H822 PolarHBondContact OE2-NE2 2.87Å; L808-H822 PolarHBondContact O-CD2 3.16Å; Y820-H822 HydrophobicContact CD2-CB 4.2Å; Y820-H822 HydrophobicContact CE2-CB 3.98Å; H822-T837 PolarHBondContact N-O 3.41Å; H822-T837 PolarHBondContact O-N 3.48Å
823	V	98.1	Very high	94	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.4	-178.4	-169.7	0	0	0	0	108.6	E807 L808 V821 F825 V834 T835 L897	E807-V823 CarbonylContact C-O 3.55Å; E807-V823 WeakPolarHBondContact CA-O 3.23Å; E807-V823 WeakPolarHBondContact CB-O 3.28Å; L808-V823 HydrophobicContact CB-CB 4.21Å; L808-V823 PolarHBondContact N-O 3.24Å; L808-V823 PolarHBondContact O-N 3.4Å; V821-V823 HydrophobicContact CG2-CG2 4.09Å; V823-F825 HydrophobicContact CB-CE1 4.3Å; V823-F825 HydrophobicContact CB-CZ 4.13Å; V823-F825 HydrophobicContact CG1-CD1 4.08Å; V823-F825 HydrophobicContact CG1-CE1 3.45Å; V823-F825 VanDerWaalsContact CG1-CE1 3.45Å; V823-F825 HydrophobicContact CG1-CZ 3.79Å; V823-V834 HydrophobicContact CG1-CG1 3.51Å; V823-T835 CarbonylContact C-O 3.53Å; V823-T835 WeakPolarHBondContact CA-O 3.33Å; V823-L897 HydrophobicContact CG1-CD2 4.33Å; V823-L897 HydrophobicContact CG2-CB 4.14Å
824	K	98.5	Very high	94.2	Very high	120 Å²	120	44.9 Å²	44.9	52%	0.522	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	138	171.4	-67.3	-178.4	-179.2	175.6	0	109.6	T835	K824-T835 PolarHBondContact N-O 3.31Å; K824-T835 PolarHBondContact O-N 2.98Å
825	F	98.5	Very high	94.5	Very high	4 Å²	4	46 Å²	46	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.6	174.3	-47.1	-66.8	0	0	0	108.5	I764 P766 L784 S805 G806 L808 V823 L832 V834 L897	I764-F825 HydrophobicContact CB-CB 4.09Å; I764-F825 HydrophobicContact CB-CD2 4.46Å; I764-F825 HydrophobicContact CD1-CB 3.52Å; I764-F825 HydrophobicContact CG1-CB 4.39Å; I764-F825 HydrophobicContact CG2-CB 3.84Å; I764-F825 HydrophobicContact CG2-CD2 3.9Å; I764-F825 HydrophobicContact CG2-CG 3.95Å; P766-F825 HydrophobicContact CB-CE2 4.35Å; P766-F825 HydrophobicContact CG-CE2 4.5Å; L784-F825 HydrophobicContact CD1-CD1 4.24Å; L784-F825 HydrophobicContact CD1-CE1 3.94Å; L784-F825 HydrophobicContact CD2-CE1 3.94Å; L784-F825 HydrophobicContact CD2-CE2 4.18Å; L784-F825 HydrophobicContact CD2-CZ 3.7Å; S805-F825 VanDerWaalsContact CA-O 3.31Å; S805-F825 WeakPolarHBondContact CA-O 3.14Å; G806-F825 PolarHBondContact N-O 3.41Å; G806-F825 PolarHBondContact O-N 3.49Å; L808-F825 HydrophobicContact CB-CE2 3.86Å; L808-F825 HydrophobicContact CB-CZ 3.89Å; V823-F825 HydrophobicContact CB-CE1 4.3Å; V823-F825 HydrophobicContact CB-CZ 4.13Å; V823-F825 HydrophobicContact CG1-CD1 4.08Å; V823-F825 HydrophobicContact CG1-CE1 3.45Å; V823-F825 VanDerWaalsContact CG1-CE1 3.45Å; V823-F825 HydrophobicContact CG1-CZ 3.79Å; F825-L832 HydrophobicContact CB-CD1 4.3Å; F825-V834 HydrophobicContact CD1-CB 4.38Å; F825-V834 HydrophobicContact CD1-CG1 3.91Å; F825-V834 HydrophobicContact CD1-CG2 3.93Å; F825-V834 HydrophobicContact CE1-CG1 3.83Å; F825-V834 HydrophobicContact CE1-CG2 4.42Å; F825-L897 HydrophobicContact CE1-CD2 4.02Å; F825-L897 HydrophobicContact CZ-CD2 4.47Å
826	E	98.7	Very high	95.1	Very high	105 Å²	105	45 Å²	45	49%	0.491	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	129.7	176.7	-174.3	175	-167.2	0	0	110.6	A804 L832 T833	A804-E826 CarbonylContact O-C 3.27Å; A804-E826 WeakPolarHBondContact O-CA 3.46Å; E826-L832 CarbonylContact O-C 3.04Å; E826-L832 WeakPolarHBondContact O-CA 3.43Å; E826-T833 PolarHBondContact N-O 3.37Å; E826-T833 PolarHBondContact O-N 3.23Å
827	V	98.6	Very high	96	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.1	166.8	171	0	0	0	0	109	I764 V786 L788 T803 A804 T831 L832 W905	I764-V827 HydrophobicContact CD1-CG2 4.18Å; V786-V827 HydrophobicContact CG1-CG2 3.73Å; L788-V827 HydrophobicContact CD2-CG1 3.85Å; L788-V827 HydrophobicContact CD2-CG2 4.42Å; T803-V827 VanDerWaalsContact CA-O 3.31Å; T803-V827 WeakPolarHBondContact CA-O 3.23Å; A804-V827 HydrophobicContact CB-CB 3.97Å; A804-V827 HydrophobicContact CB-CG2 4.05Å; A804-V827 PolarHBondContact N-O 3.23Å; A804-V827 PolarHBondContact O-N 3Å; V827-T831 VanDerWaalsContact CA-O 3.31Å; V827-T831 WeakPolarHBondContact CA-O 3.3Å; V827-L832 HydrophobicContact CG2-CB 3.97Å; V827-L832 HydrophobicContact CG2-CD1 3.88Å; V827-W905 HydrophobicContact CG1-CH2 3.61Å; V827-W905 HydrophobicContact CG1-CZ2 4.16Å; V827-W905 HydrophobicContact CG2-CH2 4.15Å
828	R	97.1	Very high	96.6	Very high	156 Å²	156	43.6 Å²	43.6	59%	0.589	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-147.5	143.7	167.8	178.5	179.5	-84.5	-152.8	-6.8	108.7	R830 T831	R828-R830 VanDerWaalsContact C-N 3.32Å; R828-R830 PolarHBondContact O-N 3.29Å; R828-T831 PolarHBondContact N-O 3.18Å; R828-T831 VanDerWaalsContact N-O 3.08Å; R828-T831 WeakPolarHBondContact O-CB 3.36Å; R828-T831 PolarHBondContact O-N 2.88Å
829	D	95.1	Very high	97	Very high	90 Å²	90	44.3 Å²	44.3	48%	0.481	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	49.8	176.7	-58.7	-43.2	0	0	0	113.1	G799 T831	G799-D829 WeakPolarHBondContact O-CA 3.47Å; D829-T831 PolarHBondContact O-N 3.35Å; D829-T831 VanDerWaalsContact O-N 3.12Å; D829-T831 PolarHBondContact O-OG1 3.45Å
830	R	96.7	Very high	97	Very high	23 Å²	23	45.3 Å²	45.3	9%	0.087	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	26.2	-176.3	-60.7	-175.3	169.9	126.3	5.6	115.6	D792 G794 S795 D796 I802 R828 K904 W905	D792-R830 IonicContact OD1-CZ 3.97Å; D792-R830 IonicContact OD1-NE 3.76Å; D792-R830 PolarHBondContact OD1-NE 2.85Å; D792-R830 IonicContact OD1-NH2 3.82Å; D792-R830 PolarHBondContact OD1-NH2 3.22Å; D792-R830 IonicContact OD2-CZ 3.53Å; D792-R830 IonicContact OD2-NE 3.38Å; D792-R830 PolarHBondContact OD2-NE 3.31Å; D792-R830 IonicContact OD2-NH2 2.74Å; G794-R830 PolarHBondContact O-NH2 2.86Å; G794-R830 VanDerWaalsContact O-NH2 3.13Å; S795-R830 PolarHBondContact O-NH2 3.27Å; D796-R830 IonicContact OD1-NH1 3.35Å; I802-R830 HydrophobicContact CD1-CG 4.03Å; R828-R830 VanDerWaalsContact C-N 3.32Å; R828-R830 PolarHBondContact O-N 3.29Å; R830-K904 WeakPolarHBondContact O-CA 3.39Å; R830-W905 HydrophobicContact CB-CD2 4.05Å; R830-W905 HydrophobicContact CB-CG 4.25Å; R830-W905 HydrophobicContact CB-CZ2 4.15Å; R830-W905 WeakPolarHBondContact CB-O 3.28Å; R830-W905 HydrophobicContact CG-CZ2 4.44Å; R830-W905 PolarHBondContact O-N 2.86Å; R830-W905 VanDerWaalsContact O-N 3.13Å
831	T	97.8	Very high	96.6	Very high	29 Å²	29	50 Å²	50	18%	0.178	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	115	-179.3	-53.5	0	0	0	0	109	V827 R828 D829 T902 I903 K904	V827-T831 VanDerWaalsContact CA-O 3.31Å; V827-T831 WeakPolarHBondContact CA-O 3.3Å; R828-T831 PolarHBondContact N-O 3.18Å; R828-T831 VanDerWaalsContact N-O 3.08Å; R828-T831 WeakPolarHBondContact O-CB 3.36Å; R828-T831 PolarHBondContact O-N 2.88Å; D829-T831 PolarHBondContact O-N 3.35Å; D829-T831 VanDerWaalsContact O-N 3.12Å; D829-T831 PolarHBondContact O-OG1 3.45Å; T831-T902 HydrophobicContact CG2-CG2 4.36Å; T831-I903 CarbonylContact C-O 3.55Å; T831-I903 WeakPolarHBondContact CA-O 3.14Å; T831-K904 HydrophobicContact CG2-CB 4.44Å
832	L	98.1	Very high	96.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	115.5	162.8	171.2	64.9	0	0	0	108.3	I764 V786 F825 E826 V827 V834 T902 I903 W905	I764-L832 HydrophobicContact CD1-CD1 3.75Å; V786-L832 HydrophobicContact CG2-CD2 3.92Å; F825-L832 HydrophobicContact CB-CD1 4.3Å; E826-L832 CarbonylContact O-C 3.04Å; E826-L832 WeakPolarHBondContact O-CA 3.43Å; V827-L832 HydrophobicContact CG2-CB 3.97Å; V827-L832 HydrophobicContact CG2-CD1 3.88Å; L832-V834 HydrophobicContact CD1-CG2 4.47Å; L832-V834 HydrophobicContact CD2-CG2 4.41Å; L832-V834 HydrophobicContact CG-CG2 4.15Å; L832-T902 CarbonylContact O-C 3.5Å; L832-T902 VanDerWaalsContact O-CA 3.26Å; L832-T902 WeakPolarHBondContact O-CA 3.41Å; L832-I903 HydrophobicContact CB-CB 4.26Å; L832-I903 HydrophobicContact CD2-CD1 4.4Å; L832-I903 PolarHBondContact N-O 3.14Å; L832-I903 PolarHBondContact O-N 3.3Å; L832-W905 HydrophobicContact CB-CZ3 4.37Å
833	T	98.4	Very high	95.8	Very high	52 Å²	52	50.2 Å²	50.2	32%	0.319	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.1	171.4	-55.5	0	0	0	0	108.8	E826 T902	E826-T833 PolarHBondContact N-O 3.37Å; E826-T833 PolarHBondContact O-N 3.23Å; T833-T902 HydrophobicContact CG2-CG2 4.44Å
834	V	98	Very high	95.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.5	173.5	-176.8	0	0	0	0	107.6	V823 F825 L832 L897 D900 F901	V823-V834 HydrophobicContact CG1-CG1 3.51Å; F825-V834 HydrophobicContact CD1-CB 4.38Å; F825-V834 HydrophobicContact CD1-CG1 3.91Å; F825-V834 HydrophobicContact CD1-CG2 3.93Å; F825-V834 HydrophobicContact CE1-CG1 3.83Å; F825-V834 HydrophobicContact CE1-CG2 4.42Å; L832-V834 HydrophobicContact CD1-CG2 4.47Å; L832-V834 HydrophobicContact CD2-CG2 4.41Å; L832-V834 HydrophobicContact CG-CG2 4.15Å; V834-L897 HydrophobicContact CG1-CD2 4.04Å; V834-D900 WeakPolarHBondContact O-CA 2.94Å; V834-F901 HydrophobicContact CB-CD1 3.99Å; V834-F901 HydrophobicContact CB-CD2 4.29Å; V834-F901 HydrophobicContact CB-CE1 3.76Å; V834-F901 HydrophobicContact CB-CE2 4.07Å; V834-F901 HydrophobicContact CB-CG 4.26Å; V834-F901 HydrophobicContact CB-CZ 3.8Å; V834-F901 HydrophobicContact CG1-CD1 4.2Å; V834-F901 HydrophobicContact CG1-CE1 3.67Å; V834-F901 HydrophobicContact CG1-CZ 3.96Å; V834-F901 HydrophobicContact CG2-CD1 4.46Å; V834-F901 HydrophobicContact CG2-CD2 4.05Å; V834-F901 HydrophobicContact CG2-CE1 3.96Å; V834-F901 HydrophobicContact CG2-CE2 3.48Å; V834-F901 VanDerWaalsContact CG2-CE2 3.48Å; V834-F901 HydrophobicContact CG2-CZ 3.44Å; V834-F901 VanDerWaalsContact CG2-CZ 3.44Å; V834-F901 PolarHBondContact N-O 3.03Å; V834-F901 PolarHBondContact O-N 3.26Å; V834-F901 VanDerWaalsContact O-N 3.15Å
835	T	98.3	Very high	95.1	Very high	51 Å²	51	53.6 Å²	53.6	31%	0.313	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119	-178.3	-56	0	0	0	0	109.8	V823 K824 D900	V823-T835 CarbonylContact C-O 3.53Å; V823-T835 WeakPolarHBondContact CA-O 3.33Å; K824-T835 PolarHBondContact N-O 3.31Å; K824-T835 PolarHBondContact O-N 2.98Å; T835-D900 WeakPolarHBondContact CA-OD1 3.38Å
836	S	97	Very high	94.7	Very high	14 Å²	14	59.1 Å²	59.1	10%	0.098	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118.9	-174.5	-67.4	0	0	0	0	110.7	P838 L897 D900	S836-P838 WeakPolarHBondContact O-CD 3.43Å; S836-L897 VanDerWaalsContact CB-O 3.28Å; S836-L897 WeakPolarHBondContact CB-O 3.32Å; S836-L897 PolarHBondContact OG-O 3.42Å; S836-D900 PolarHBondContact N-OD1 3.03Å
837	T	97.1	Very high	94.4	Very high	75 Å²	75	54.4 Å²	54.4	46%	0.46	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	97.2	-178.8	-52.6	0	0	0	0	110.2	H822	H822-T837 PolarHBondContact N-O 3.41Å; H822-T837 PolarHBondContact O-N 3.48Å
838	P	95.5	Very high	94	Very high	49 Å²	49	57.6 Å²	57.6	32%	0.318	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	142.1	169.7	-23.2	35.1	0	0	0	111.5	S836 S840 S843 L844	S836-P838 WeakPolarHBondContact O-CD 3.43Å; P838-S840 VanDerWaalsContact C-N 3.26Å; P838-S840 WeakPolarHBondContact CB-O 3.46Å; P838-S840 PolarHBondContact O-N 2.86Å; P838-S843 WeakPolarHBondContact CB-OG 3.29Å; P838-L844 HydrophobicContact CB-CG 4.22Å; P838-L844 HydrophobicContact CG-CD1 3.79Å; P838-L844 HydrophobicContact CG-CD2 4.42Å; P838-L844 HydrophobicContact CG-CG 3.9Å
839	S	94	Very high	93.7	Very high	49 Å²	49	54.7 Å²	54.7	34%	0.343	31%	0.307	S	S	.	.	S	Bend	trans	-64.6	-28	175.3	52.2	0	0	0	0	113.4	Y820 S843	Y820-S839 PolarHBondContact N-OG 2.92Å; Y820-S839 WeakPolarHBondContact O-CB 3.44Å; Y820-S839 PolarHBondContact O-N 3.32Å; Y820-S839 PolarHBondContact O-OG 3.44Å; S839-S843 PolarHBondContact N-OG 2.85Å; S839-S843 WeakPolarHBondContact OG-CB 3.31Å; S839-S843 PolarHBondContact OG-OG 2.61Å
840	S	92	Very high	93.4	Very high	56 Å²	56	55.8 Å²	55.8	39%	0.392	31%	0.309	S	S	.	.	S	Bend	trans	-153.2	168.3	172.6	73	0	0	0	0	110.6	P838 G842 S843	P838-S840 VanDerWaalsContact C-N 3.26Å; P838-S840 WeakPolarHBondContact CB-O 3.46Å; P838-S840 PolarHBondContact O-N 2.86Å; S840-G842 PolarHBondContact O-N 2.99Å; S840-G842 VanDerWaalsContact O-N 3.16Å; S840-S843 PolarHBondContact N-OG 3.14Å; S840-S843 PolarHBondContact O-N 3.09Å; S840-S843 VanDerWaalsContact O-N 3.14Å; S840-S843 PolarHBondContact O-OG 2.81Å; S840-S843 PolarHBondContact OG-N 3.05Å
841	V	87.1	Confident	93.2	Very high	153 Å²	153	55.3 Å²	55.3	93%	0.927	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-33.4	179.4	178.4	0	0	0	0	112.2
842	G	87.9	Confident	93.1	Very high	27 Å²	27	54 Å²	54	28%	0.278	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	1.8	-179.1	0	0	0	0	0	115.1	S840 L844 E845	S840-G842 PolarHBondContact O-N 2.99Å; S840-G842 VanDerWaalsContact O-N 3.16Å; G842-L844 VanDerWaalsContact C-N 3.33Å; G842-L844 PolarHBondContact O-N 3.48Å; G842-E845 WeakPolarHBondContact O-CB 3.37Å; G842-E845 PolarHBondContact O-N 3.16Å
843	S	89.1	Confident	92.9	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-68.2	-32.7	-172.4	69.5	0	0	0	0	113	Y820 P838 S839 S840 E845 K846	Y820-S843 WeakPolarHBondContact O-CB 3.4Å; Y820-S843 PolarHBondContact O-OG 3.43Å; P838-S843 WeakPolarHBondContact CB-OG 3.29Å; S839-S843 PolarHBondContact N-OG 2.85Å; S839-S843 WeakPolarHBondContact OG-CB 3.31Å; S839-S843 PolarHBondContact OG-OG 2.61Å; S840-S843 PolarHBondContact N-OG 3.14Å; S840-S843 PolarHBondContact O-N 3.09Å; S840-S843 VanDerWaalsContact O-N 3.14Å; S840-S843 PolarHBondContact O-OG 2.81Å; S840-S843 PolarHBondContact OG-N 3.05Å; S843-E845 VanDerWaalsContact C-N 3.27Å; S843-E845 PolarHBondContact O-N 3.37Å; S843-K846 WeakPolarHBondContact O-CB 3.48Å; S843-K846 PolarHBondContact O-N 3.12Å; S843-K846 VanDerWaalsContact O-N 3.17Å
844	L	90.4	Very high	92.7	Very high	31 Å²	31	52.4 Å²	52.4	16%	0.162	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-65.4	-28.4	176.2	-70.6	176.6	0	0	0	112.9	V821 P838 G842 K846 I847 F849 L852	V821-L844 HydrophobicContact CB-CD2 3.99Å; V821-L844 HydrophobicContact CG1-CD2 4.35Å; V821-L844 HydrophobicContact CG2-CD2 4.29Å; P838-L844 HydrophobicContact CB-CG 4.22Å; P838-L844 HydrophobicContact CG-CD1 3.79Å; P838-L844 HydrophobicContact CG-CD2 4.42Å; P838-L844 HydrophobicContact CG-CG 3.9Å; G842-L844 VanDerWaalsContact C-N 3.33Å; G842-L844 PolarHBondContact O-N 3.48Å; L844-K846 PolarHBondContact O-N 3.46Å; L844-I847 PolarHBondContact O-N 2.83Å; L844-I847 VanDerWaalsContact O-O 3.09Å; L844-F849 HydrophobicContact CB-CZ 4.11Å; L844-L852 HydrophobicContact CD2-CD1 3.84Å
845	E	91.1	Very high	92.5	Very high	160 Å²	160	56.3 Å²	56.3	75%	0.748	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-69.6	-15.2	177.4	-58.8	178.9	172	0	0	112.6	G842 S843	G842-E845 WeakPolarHBondContact O-CB 3.37Å; G842-E845 PolarHBondContact O-N 3.16Å; S843-E845 VanDerWaalsContact C-N 3.27Å; S843-E845 PolarHBondContact O-N 3.37Å
846	K	91.1	Very high	92.3	Very high	120 Å²	120	56 Å²	56	52%	0.522	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-91.5	-7.4	176.6	-58	-60.4	-174.6	178.2	0	113.1	N812 N819 S843 L844	N812-K846 WeakPolarHBondContact CB-O 3.47Å; N819-K846 HydrophobicContact CB-CB 3.92Å; N819-K846 HydrophobicContact CB-CG 4.01Å; S843-K846 WeakPolarHBondContact O-CB 3.48Å; S843-K846 PolarHBondContact O-N 3.12Å; S843-K846 VanDerWaalsContact O-N 3.17Å; L844-K846 PolarHBondContact O-N 3.46Å
847	I	91.8	Very high	92.3	Very high	6 Å²	6	55.3 Å²	55.3	3%	0.031	30%	0.296	C	S	.	.	S	Bend	trans	-109.1	134.6	180	-56.3	174.2	0	0	0	107.6	W810 V821 L844 F849 L852	W810-I847 WeakPolarHBondContact O-CD1 3.04Å; V821-I847 HydrophobicContact CB-CD1 4.49Å; V821-I847 HydrophobicContact CG1-CD1 4.01Å; L844-I847 PolarHBondContact O-N 2.83Å; L844-I847 VanDerWaalsContact O-O 3.09Å; I847-F849 PolarHBondContact O-N 3.02Å; I847-F849 VanDerWaalsContact O-N 3.14Å; I847-L852 HydrophobicContact CG2-CD1 4.21Å; I847-L852 HydrophobicContact CG2-CD2 4.26Å; I847-L852 HydrophobicContact CG2-CG 4.07Å
848	D	90.9	Very high	92.2	Very high	68 Å²	68	53.9 Å²	53.9	36%	0.364	28%	0.284	S	S	.	.			trans	-65.5	115.9	170.6	-179.9	-14.8	0	0	0	108.6	Q850 E851	D848-Q850 PolarHBondContact O-N 2.9Å; D848-Q850 VanDerWaalsContact O-N 3.08Å; D848-Q850 WeakPolarHBondContact OD1-CB 3.28Å; D848-Q850 PolarHBondContact OD1-N 2.93Å; D848-E851 HydrophobicContact CB-CG 3.98Å; D848-E851 VanDerWaalsContact O-CB 3.27Å; D848-E851 WeakPolarHBondContact O-CB 3.22Å; D848-E851 PolarHBondContact O-N 2.77Å
849	F	89.7	Confident	92.3	Very high	95 Å²	95	51.5 Å²	51.5	42%	0.417	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-56.3	-27.6	-176.9	-83.9	-87.9	0	0	0	113.3	L844 I847 E851 L852	L844-F849 HydrophobicContact CB-CZ 4.11Å; I847-F849 PolarHBondContact O-N 3.02Å; I847-F849 VanDerWaalsContact O-N 3.14Å; F849-E851 PolarHBondContact O-N 3.01Å; F849-L852 PolarHBondContact O-N 2.64Å; F849-L852 VanDerWaalsContact O-N 3.11Å
850	Q	89.7	Confident	92.4	Very high	113 Å²	113	49.3 Å²	49.3	53%	0.528	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-64.5	-29	176	-63.4	-175.8	13.8	0	0	112.1	D848 L852 D853	D848-Q850 PolarHBondContact O-N 2.9Å; D848-Q850 VanDerWaalsContact O-N 3.08Å; D848-Q850 WeakPolarHBondContact OD1-CB 3.28Å; D848-Q850 PolarHBondContact OD1-N 2.93Å; Q850-L852 PolarHBondContact O-N 3.16Å; Q850-D853 WeakPolarHBondContact O-CB 3.38Å; Q850-D853 PolarHBondContact O-N 3.36Å
851	E	93	Very high	92.5	Very high	14 Å²	14	46.7 Å²	46.7	7%	0.065	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-66.8	-25.6	176.3	-58.2	-175.5	158	0	0	111.9	R778 K779 F782 W810 D848 F849 D853	R778-E851 HydrophobicContact CB-CG 4.14Å; R778-E851 WeakPolarHBondContact CB-OE1 3.39Å; R778-E851 IonicContact CZ-OE1 3.77Å; R778-E851 IonicContact CZ-OE2 3.43Å; R778-E851 IonicContact NE-OE1 3.86Å; R778-E851 PolarHBondContact NE-OE1 3.49Å; R778-E851 VanDerWaalsContact NE-OE1 3.08Å; R778-E851 IonicContact NE-OE2 2.7Å; R778-E851 IonicContact NH2-OE1 3.36Å; R778-E851 IonicContact NH2-OE2 2.69Å; R778-E851 PolarHBondContact NH2-OE2 2.75Å; R778-E851 WeakPolarHBondContact O-CA 3.42Å; K779-E851 HydrophobicContact CG-CG 4.43Å; F782-E851 WeakPolarHBondContact CD2-O 3.34Å; F782-E851 WeakPolarHBondContact CE2-O 3.48Å; W810-E851 PolarHBondContact NE1-OE2 3.46Å; W810-E851 VanDerWaalsContact NE1-OE2 3.11Å; D848-E851 HydrophobicContact CB-CG 3.98Å; D848-E851 VanDerWaalsContact O-CB 3.27Å; D848-E851 WeakPolarHBondContact O-CB 3.22Å; D848-E851 PolarHBondContact O-N 2.77Å; F849-E851 PolarHBondContact O-N 3.01Å; E851-D853 VanDerWaalsContact C-N 3.35Å
852	L	94.1	Very high	92.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-87.2	-1.1	-179.2	-60.7	177.7	0	0	0	113.6	W810 V821 L844 I847 F849 Q850 T896 L897	W810-L852 HydrophobicContact CB-CD2 4.39Å; W810-L852 HydrophobicContact CG-CD2 4.21Å; V821-L852 HydrophobicContact CG1-CD1 4.46Å; V821-L852 HydrophobicContact CG1-CD2 3.8Å; L844-L852 HydrophobicContact CD2-CD1 3.84Å; I847-L852 HydrophobicContact CG2-CD1 4.21Å; I847-L852 HydrophobicContact CG2-CD2 4.26Å; I847-L852 HydrophobicContact CG2-CG 4.07Å; F849-L852 PolarHBondContact O-N 2.64Å; F849-L852 VanDerWaalsContact O-N 3.11Å; Q850-L852 PolarHBondContact O-N 3.16Å; L852-T896 CarbonylContact O-C 3.5Å; L852-T896 WeakPolarHBondContact O-CA 3.49Å; L852-L897 HydrophobicContact CB-CB 4.32Å; L852-L897 HydrophobicContact CD2-CB 4.37Å; L852-L897 PolarHBondContact O-N 3.03Å
853	D	94.2	Very high	93.1	Very high	19 Å²	19	40.4 Å²	40.4	10%	0.102	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-68.4	132.5	179.6	-75.5	-5	0	0	0	111.4	G781 F782 Q850 E851 K855 Y894	G781-D853 CarbonylContact C-O 3.58Å; G781-D853 VanDerWaalsContact CA-O 3.27Å; G781-D853 WeakPolarHBondContact CA-O 3.33Å; F782-D853 PolarHBondContact N-O 2.04Å; Q850-D853 WeakPolarHBondContact O-CB 3.38Å; Q850-D853 PolarHBondContact O-N 3.36Å; E851-D853 VanDerWaalsContact C-N 3.35Å; D853-K855 HydrophobicContact CB-CD 4.24Å; D853-K855 IonicContact OD2-NZ 3.74Å; D853-K855 PolarHBondContact OD2-NZ 3.48Å; D853-Y894 WeakPolarHBondContact OD1-CE2 3.5Å; D853-Y894 PolarHBondContact OD1-OH 2.97Å
854	V	95.2	Very high	93.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	110	171	-175.5	0	0	0	0	108.7	L784 I857 S891 M895 L897 F901	L784-V854 HydrophobicContact CD1-CG1 4.41Å; L784-V854 HydrophobicContact CG-CG1 4.34Å; V854-I857 HydrophobicContact CG1-CD1 3.96Å; V854-I857 HydrophobicContact CG1-CG1 3.7Å; V854-S891 WeakPolarHBondContact O-CB 3.2Å; V854-S891 PolarHBondContact O-OG 3.37Å; V854-M895 HydrophobicContact CB-CB 3.88Å; V854-M895 HydrophobicContact CG1-CE 4.4Å; V854-M895 PolarHBondContact N-O 2.78Å; V854-L897 HydrophobicContact CG2-CD1 4.3Å; V854-L897 HydrophobicContact CG2-CD2 3.35Å; V854-L897 HydrophobicContact CG2-CG 3.52Å; V854-F901 HydrophobicContact CG2-CZ 4.36Å
855	K	93.6	Very high	93.6	Very high	83 Å²	83	47.2 Å²	47.2	36%	0.361	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-31.7	-176.9	-56.6	-57.8	179.7	-171.6	0	112.9	V769 K780 F782 D853 S891	V769-K855 HydrophobicContact CG1-CB 3.99Å; V769-K855 HydrophobicContact CG1-CG 4.46Å; V769-K855 HydrophobicContact CG2-CG 4.29Å; K780-K855 VanDerWaalsContact O-CE 3.24Å; K780-K855 WeakPolarHBondContact O-CE 3.46Å; K780-K855 VanDerWaalsContact O-CG 3.26Å; K780-K855 WeakPolarHBondContact O-CG 3.32Å; F782-K855 PolarHBondContact O-N 3.07Å; D853-K855 HydrophobicContact CB-CD 4.24Å; D853-K855 IonicContact OD2-NZ 3.74Å; D853-K855 PolarHBondContact OD2-NZ 3.48Å; K855-S891 VanDerWaalsContact O-CB 3.26Å; K855-S891 WeakPolarHBondContact O-CB 3.3Å; K855-S891 PolarHBondContact O-N 2.92Å
856	Q	94.4	Very high	93.8	Very high	44 Å²	44	39.8 Å²	39.8	21%	0.206	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	151.5	-178.9	62.3	-172.3	-12.7	0	0	113.2	V769 F782 G783 L784 F858 H888 L889	V769-Q856 HydrophobicContact CG1-CG 3.88Å; F782-Q856 PolarHBondContact O-N 3.22Å; G783-Q856 CarbonylContact C-O 3.6Å; G783-Q856 WeakPolarHBondContact CA-O 3.45Å; L784-Q856 PolarHBondContact N-O 2.81Å; Q856-F858 HydrophobicContact CG-CE2 3.92Å; Q856-F858 HydrophobicContact CG-CZ 4.49Å; Q856-H888 PolarHBondContact OE1-NE2 2.94Å; Q856-H888 VanDerWaalsContact OE1-NE2 3.16Å; Q856-L889 CarbonylContact C-O 3.51Å; Q856-L889 VanDerWaalsContact CA-O 3.24Å; Q856-L889 WeakPolarHBondContact CA-O 3.49Å
857	I	96.3	Very high	94	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	133.9	174.9	-58.2	174.3	0	0	0	107.9	L784 V786 V854 I859 L889 M895 I903	L784-I857 HydrophobicContact CB-CG1 4.16Å; L784-I857 HydrophobicContact CB-CG2 4.28Å; L784-I857 HydrophobicContact CD1-CD1 4.26Å; L784-I857 HydrophobicContact CD1-CG1 4.29Å; L784-I857 HydrophobicContact CG-CG1 4.42Å; L784-I857 CarbonylContact O-C 3.53Å; L784-I857 WeakPolarHBondContact O-CA 3.4Å; V786-I857 HydrophobicContact CG2-CG2 3.88Å; V854-I857 HydrophobicContact CG1-CD1 3.96Å; V854-I857 HydrophobicContact CG1-CG1 3.7Å; I857-I859 HydrophobicContact CG2-CG1 4.19Å; I857-L889 HydrophobicContact CB-CB 4.13Å; I857-L889 HydrophobicContact CB-CD1 4.03Å; I857-L889 HydrophobicContact CB-CG 4.26Å; I857-L889 HydrophobicContact CG2-CD1 4.15Å; I857-L889 PolarHBondContact N-O 2.93Å; I857-L889 PolarHBondContact O-N 2.89Å; I857-M895 HydrophobicContact CD1-CE 4.36Å; I857-M895 HydrophobicContact CD1-SD 3.98Å; I857-I903 HydrophobicContact CD1-CD1 3.21Å
858	F	95.8	Very high	94.2	Very high	44 Å²	44	39.7 Å²	39.7	19%	0.193	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	118.2	173.2	-60.4	-87.5	0	0	0	108.3	L784 F785 V786 Q856 V860 T886 C887 H888	L784-F858 PolarHBondContact O-N 3.21Å; F785-F858 HydrophobicContact CD2-CB 3.67Å; F785-F858 HydrophobicContact CD2-CD2 4.3Å; F785-F858 HydrophobicContact CD2-CG 4.21Å; F785-F858 HydrophobicContact CE2-CB 4.1Å; V786-F858 WeakPolarHBondContact CA-O 3.35Å; V786-F858 WeakPolarHBondContact CB-O 3.37Å; V786-F858 PolarHBondContact N-O 3.18Å; Q856-F858 HydrophobicContact CG-CE2 3.92Å; Q856-F858 HydrophobicContact CG-CZ 4.49Å; F858-V860 HydrophobicContact CB-CG2 4.4Å; F858-T886 HydrophobicContact CB-CG2 4.09Å; F858-T886 HydrophobicContact CD1-CG2 4.16Å; F858-C887 CarbonylContact C-O 3.5Å; F858-C887 WeakPolarHBondContact CA-O 3.37Å; F858-H888 HydrophobicContact CD1-CB 4.02Å; F858-H888 AromaticContact CD1-CD2 3.64Å; F858-H888 HydrophobicContact CE1-CB 4.02Å; F858-H888 AromaticContact CE1-CD2 3.19Å; F858-H888 WeakPolarHBondContact CE1-CD2 3.49Å; F858-H888 AromaticContact CE1-CG 3.58Å; F858-H888 AromaticContact CE1-NE2 3.59Å; F858-H888 AromaticContact CZ-CD2 3.53Å; F858-H888 AromaticContact CZ-NE2 3.49Å; F858-H888 WeakPolarHBondContact CZ-NE2 3.28Å
859	I	97	Very high	94.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	111.2	174	-55.8	173	0	0	0	107.6	V786 L788 I857 L862 T886 C887 L889 I903 W905	V786-I859 HydrophobicContact CB-CG1 4.47Å; L788-I859 HydrophobicContact CD1-CG2 4.32Å; L788-I859 HydrophobicContact CG-CG2 4.42Å; I857-I859 HydrophobicContact CG2-CG1 4.19Å; I859-L862 HydrophobicContact CB-CD1 4.19Å; I859-L862 HydrophobicContact CG2-CD1 3.87Å; I859-L862 HydrophobicContact CG2-CD2 4.15Å; I859-L862 HydrophobicContact CG2-CG 4.06Å; I859-T886 CarbonylContact O-C 3.46Å; I859-T886 VanDerWaalsContact O-CA 3.31Å; I859-T886 WeakPolarHBondContact O-CA 3.39Å; I859-C887 HydrophobicContact CB-CB 4.38Å; I859-C887 PolarHBondContact N-O 2.67Å; I859-C887 PolarHBondContact O-N 2.86Å; I859-L889 HydrophobicContact CD1-CD1 3.9Å; I859-L889 HydrophobicContact CG1-CD1 4.43Å; I859-I903 HydrophobicContact CD1-CG2 4.33Å; I859-W905 HydrophobicContact CD1-CE3 3.92Å; I859-W905 HydrophobicContact CD1-CZ3 4.08Å; I859-W905 HydrophobicContact CG2-CH2 4.4Å
860	V	95.5	Very high	94.7	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134	-170.3	-170	0	0	0	0	111.7	I731 F785 V786 I787 L788 F858 T886	I731-V860 HydrophobicContact CD1-CB 4.06Å; I731-V860 HydrophobicContact CD1-CG1 3.28Å; F785-V860 HydrophobicContact CD2-CG2 4.01Å; F785-V860 HydrophobicContact CE2-CG2 3.36Å; F785-V860 HydrophobicContact CZ-CG2 3.73Å; V786-V860 PolarHBondContact O-N 3.25Å; I787-V860 HydrophobicContact CG1-CB 4.49Å; L788-V860 WeakPolarHBondContact CB-O 3.49Å; L788-V860 WeakPolarHBondContact CG-O 3.33Å; L788-V860 PolarHBondContact N-O 3.18Å; F858-V860 HydrophobicContact CB-CG2 4.4Å; V860-T886 WeakPolarHBondContact CG1-OG1 3.4Å; V860-T886 HydrophobicContact CG2-CG2 3.93Å
861	G	93.9	Very high	94.9	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	104.4	27	-177.3	0	0	0	0	0	113.4	T791 D792 Q885	T791-G861 CarbonylContact C-O 3.52Å; T791-G861 VanDerWaalsContact CA-O 3.29Å; T791-G861 WeakPolarHBondContact CA-O 3.43Å; D792-G861 PolarHBondContact N-O 2.92Å; G861-Q885 PolarHBondContact N-O 2.81Å
862	L	95	Very high	94.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	110.7	172.5	-55.8	175.3	0	0	0	107.4	L788 D792 I859 P866 Y880 Q885 C887 F907	L788-L862 HydrophobicContact CD1-CD2 3.63Å; L788-L862 HydrophobicContact CD1-CG 4.41Å; D792-L862 HydrophobicContact CB-CD2 3.89Å; I859-L862 HydrophobicContact CB-CD1 4.19Å; I859-L862 HydrophobicContact CG2-CD1 3.87Å; I859-L862 HydrophobicContact CG2-CD2 4.15Å; I859-L862 HydrophobicContact CG2-CG 4.06Å; L862-P866 HydrophobicContact CD1-CG 3.93Å; L862-Y880 HydrophobicContact CB-CE2 4.19Å; L862-Y880 PolarHBondContact O-OH 3.41Å; L862-Q885 PolarHBondContact N-O 3.12Å; L862-Q885 CarbonylContact O-C 3.53Å; L862-Q885 WeakPolarHBondContact O-CA 3.47Å; L862-Q885 WeakPolarHBondContact O-CB 3.45Å; L862-C887 HydrophobicContact CD1-CB 3.77Å; L862-C887 WeakPolarHBondContact CD1-SG 3.38Å; L862-F907 HydrophobicContact CD2-CZ 4.28Å
863	S	93.4	Very high	94.8	Very high	48 Å²	48	37.3 Å²	37.3	34%	0.336	19%	0.193	S	C	.	.	S	Bend	trans	-83.4	-18.6	179.7	58.5	0	0	0	0	113.4	T791 D792 D793 Y880	T791-S863 VanDerWaalsContact CG2-CB 3.47Å; T791-S863 WeakPolarHBondContact CG2-OG 3.31Å; D792-S863 PolarHBondContact O-N 2.96Å; D792-S863 PolarHBondContact O-OG 3.48Å; D793-S863 VanDerWaalsContact CA-OG 3.3Å; D793-S863 WeakPolarHBondContact CA-OG 3.47Å; S863-Y880 PolarHBondContact O-OH 3.36Å
864	K	93.6	Very high	94.7	Very high	90 Å²	90	41.2 Å²	41.2	39%	0.391	21%	0.213	S	C	.	.	S	Bend	trans	-111.1	152.8	172	-171.2	178.8	176.2	-174.3	0	108.1	F907 N908	K864-F907 HydrophobicContact CB-CD1 4.06Å; K864-F907 HydrophobicContact CB-CE1 3.78Å; K864-F907 HydrophobicContact CD-CD1 3.94Å; K864-F907 HydrophobicContact CG-CD1 4.03Å; K864-F907 HydrophobicContact CG-CE1 4.21Å; K864-F907 WeakPolarHBondContact O-CE1 3.37Å; K864-N908 PolarHBondContact NZ-O 3.33Å
865	I	95.8	Very high	94.4	Very high	83 Å²	83	44.8 Å²	44.8	43%	0.426	24%	0.237	S	C	.	.			trans	-72.9	128.3	168.9	-169.7	170.8	0	0	0	109.3	F878 Y880 F907	I865-F878 HydrophobicContact CD1-CE2 4.16Å; I865-F878 HydrophobicContact CG1-CE2 3.86Å; I865-F878 HydrophobicContact CG1-CZ 4.33Å; I865-Y880 HydrophobicContact CB-CD1 3.95Å; I865-Y880 HydrophobicContact CB-CE1 4.27Å; I865-Y880 HydrophobicContact CB-CG 4.16Å; I865-Y880 HydrophobicContact CD1-CD1 4.27Å; I865-Y880 HydrophobicContact CD1-CG 4.23Å; I865-Y880 HydrophobicContact CG1-CD1 4.14Å; I865-Y880 HydrophobicContact CG1-CG 3.95Å; I865-F907 WeakPolarHBondContact O-CD1 3.38Å
866	P	96	Very high	94.3	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.026	22%	0.222	C	C	.	.			trans	-59.3	146.3	169.2	-24.5	35.9	0	0	0	110.8	L862 E868 I869 F878 C887 W905 I906 F907	L862-P866 HydrophobicContact CD1-CG 3.93Å; P866-E868 VanDerWaalsContact C-N 3.34Å; P866-I869 HydrophobicContact CB-CD1 4.45Å; P866-I869 HydrophobicContact CB-CG1 4.04Å; P866-I869 HydrophobicContact CG-CD1 4.22Å; P866-I869 HydrophobicContact CG-CG1 4.32Å; P866-F878 HydrophobicContact CB-CZ 4.42Å; P866-F878 WeakPolarHBondContact O-CZ 3Å; P866-C887 VanDerWaalsContact CD-SG 3.58Å; P866-W905 HydrophobicContact CB-CB 4.21Å; P866-W905 HydrophobicContact CG-CB 4.28Å; P866-I906 CarbonylContact C-O 3.47Å; P866-I906 VanDerWaalsContact CA-O 3.32Å; P866-I906 WeakPolarHBondContact CA-O 3.24Å; P866-I906 WeakPolarHBondContact CB-O 3.21Å; P866-F907 HydrophobicContact CB-CE1 4.31Å; P866-F907 HydrophobicContact CG-CE1 3.99Å; P866-F907 HydrophobicContact CG-CZ 4.03Å
867	S	95.9	Very high	94.2	Very high	53 Å²	53	45.5 Å²	45.5	37%	0.371	24%	0.239	S	C	.	.	S	Bend	trans	-74.6	-31.3	170.2	50.8	0	0	0	0	111.7	I906 N908	S867-I906 PolarHBondContact N-O 2.64Å; S867-I906 PolarHBondContact OG-O 3.24Å; S867-N908 VanDerWaalsContact CB-CG 3.42Å; S867-N908 WeakPolarHBondContact CB-OD1 3.48Å; S867-N908 PolarHBondContact OG-N 3.24Å; S867-N908 PolarHBondContact OG-OD1 3.24Å
868	E	95.3	Very high	94.1	Very high	71 Å²	71	48 Å²	48	33%	0.332	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	147.1	179.4	-170.3	170.2	-142.7	0	0	111	P866 M870 P875 W905 I906	P866-E868 VanDerWaalsContact C-N 3.34Å; E868-M870 HydrophobicContact CG-CG 3.93Å; E868-P875 VanDerWaalsContact OE1-CG 3.29Å; E868-P875 WeakPolarHBondContact OE1-CG 3.06Å; E868-W905 WeakPolarHBondContact O-CA 3.42Å; E868-I906 PolarHBondContact N-O 2.8Å; E868-I906 PolarHBondContact O-N 3.01Å
869	I	95.7	Very high	94.1	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.1	167.4	-57.7	-176	0	0	0	106.8	P866 L876 F878 C887 L889 I903 K904 W905	P866-I869 HydrophobicContact CB-CD1 4.45Å; P866-I869 HydrophobicContact CB-CG1 4.04Å; P866-I869 HydrophobicContact CG-CD1 4.22Å; P866-I869 HydrophobicContact CG-CG1 4.32Å; I869-L876 WeakPolarHBondContact O-CB 3.21Å; I869-L876 PolarHBondContact O-N 3.26Å; I869-F878 HydrophobicContact CB-CD1 4.03Å; I869-F878 HydrophobicContact CB-CE1 4.39Å; I869-F878 HydrophobicContact CD1-CB 4.1Å; I869-F878 HydrophobicContact CD1-CD1 3.75Å; I869-F878 HydrophobicContact CD1-CD2 4.13Å; I869-F878 HydrophobicContact CD1-CE1 4.18Å; I869-F878 HydrophobicContact CD1-CG 3.73Å; I869-F878 HydrophobicContact CG1-CD1 3.76Å; I869-F878 HydrophobicContact CG1-CE1 3.88Å; I869-F878 HydrophobicContact CG1-CG 4.28Å; I869-F878 HydrophobicContact CG1-CZ 4.48Å; I869-C887 HydrophobicContact CD1-CB 3.98Å; I869-L889 HydrophobicContact CD1-CD2 3.64Å; I869-L889 HydrophobicContact CG2-CD1 4.15Å; I869-L889 HydrophobicContact CG2-CD2 4.1Å; I869-I903 HydrophobicContact CG2-CG2 3.6Å; I869-K904 CarbonylContact C-O 3.56Å; I869-K904 WeakPolarHBondContact CA-O 3.44Å; I869-W905 HydrophobicContact CD1-CB 4.47Å; I869-W905 HydrophobicContact CG1-CB 3.87Å
870	M	94.5	Very high	94.1	Very high	24 Å²	24	50.9 Å²	50.9	12%	0.118	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.5	-175.1	-61.4	179.6	-69.5	0	0	111.4	E868 N874 I903 K904 I906	E868-M870 HydrophobicContact CG-CG 3.93Å; M870-N874 CarbonylContact C-O 3.45Å; M870-N874 WeakPolarHBondContact CA-O 3.37Å; M870-I903 CarbonylContact O-C 3.56Å; M870-I903 VanDerWaalsContact O-CA 3.24Å; M870-I903 WeakPolarHBondContact O-CA 3.45Å; M870-K904 HydrophobicContact CE-CB 4.35Å; M870-K904 HydrophobicContact CE-CD 4.22Å; M870-K904 HydrophobicContact CE-CG 4.37Å; M870-K904 PolarHBondContact N-O 3.05Å; M870-K904 PolarHBondContact O-N 3.17Å; M870-I906 HydrophobicContact CE-CD1 3.43Å; M870-I906 VanDerWaalsContact CE-CD1 3.43Å; M870-I906 HydrophobicContact CE-CG1 4.2Å
871	L	94.6	Very high	94	Very high	16 Å²	16	54.2 Å²	54.2	8%	0.084	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	114	167	173.2	67.2	0	0	0	109	N873 N874 M895 F901 T902 I903	L871-N873 PolarHBondContact O-N 3.49Å; L871-N874 PolarHBondContact N-O 3.38Å; L871-N874 WeakPolarHBondContact O-CB 3.33Å; L871-N874 PolarHBondContact O-N 2.87Å; L871-M895 HydrophobicContact CD1-CG 4.03Å; L871-M895 HydrophobicContact CD1-SD 4.2Å; L871-M895 HydrophobicContact CD2-CG 3.53Å; L871-M895 HydrophobicContact CD2-SD 4.13Å; L871-M895 HydrophobicContact CG-CG 4.44Å; L871-F901 HydrophobicContact CD1-CB 4.06Å; L871-F901 HydrophobicContact CD1-CD2 3.61Å; L871-F901 HydrophobicContact CD1-CE2 4.39Å; L871-F901 HydrophobicContact CD1-CG 4.11Å; L871-T902 WeakPolarHBondContact CA-O 3.24Å; L871-I903 HydrophobicContact CD1-CD1 4.5Å; L871-I903 HydrophobicContact CD1-CG1 3.94Å
872	N	93.5	Very high	93.9	Very high	75 Å²	75	60.6 Å²	60.6	40%	0.401	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	46.8	-176.7	-66.1	-22.8	0	0	0	112.7	N874 F901 T902	N872-N874 VanDerWaalsContact C-N 3.25Å; N872-N874 PolarHBondContact O-N 2.88Å; N872-N874 PolarHBondContact O-ND2 2.77Å; N872-F901 WeakPolarHBondContact OD1-CA 3.31Å; N872-T902 PolarHBondContact N-O 3.04Å; N872-T902 PolarHBondContact OD1-N 3.21Å; N872-T902 PolarHBondContact OD1-OG1 3.15Å
873	N	91.4	Very high	93.7	Very high	125 Å²	125	67 Å²	67	67%	0.668	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	9	-176	-50.9	-45.6	0	0	0	116.5	L871	L871-N873 PolarHBondContact O-N 3.49Å
874	N	91.6	Very high	93.6	Very high	100 Å²	100	68.3 Å²	68.3	54%	0.535	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.2	172.1	-62.3	-70.7	0	0	0	110.4	M870 L871 N872 L876	M870-N874 CarbonylContact C-O 3.45Å; M870-N874 WeakPolarHBondContact CA-O 3.37Å; L871-N874 PolarHBondContact N-O 3.38Å; L871-N874 WeakPolarHBondContact O-CB 3.33Å; L871-N874 PolarHBondContact O-N 2.87Å; N872-N874 VanDerWaalsContact C-N 3.25Å; N872-N874 PolarHBondContact O-N 2.88Å; N872-N874 PolarHBondContact O-ND2 2.77Å; N874-L876 PolarHBondContact O-N 2.74Å
875	P	90.7	Very high	93.6	Very high	75 Å²	75	67.1 Å²	67.1	49%	0.487	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	134.1	-179.3	-22	31.8	0	0	0	112.3	E868	E868-P875 VanDerWaalsContact OE1-CG 3.29Å; E868-P875 WeakPolarHBondContact OE1-CG 3.06Å
876	L	91	Very high	93.5	Very high	10 Å²	10	63.7 Å²	63.7	5%	0.052	33%	0.328	C	S	.	.			trans	-115.1	136.3	179.4	-171.8	68.9	0	0	0	109.7	I869 N874 L889 Y893	I869-L876 WeakPolarHBondContact O-CB 3.21Å; I869-L876 PolarHBondContact O-N 3.26Å; N874-L876 PolarHBondContact O-N 2.74Å; L876-L889 HydrophobicContact CD2-CB 3.99Å; L876-L889 HydrophobicContact CD2-CD1 3.9Å; L876-L889 HydrophobicContact CD2-CD2 4.35Å; L876-L889 HydrophobicContact CD2-CG 4.3Å; L876-Y893 HydrophobicContact CD1-CD2 3.79Å; L876-Y893 HydrophobicContact CD1-CE2 4.4Å
877	K	91.7	Very high	93.5	Very high	132 Å²	132	63.5 Å²	63.5	57%	0.574	33%	0.326	S	S	*	.			trans	-74.9	143.1	174.7	-64.4	-169.7	-166.1	147.8	0	110.6
878	F	94.3	Very high	93.5	Very high	54 Å²	54	62.6 Å²	62.6	24%	0.237	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	157.3	177.8	66.2	-88.7	0	0	0	111.2	I865 P866 I869 C887 H888 L889	I865-F878 HydrophobicContact CD1-CE2 4.16Å; I865-F878 HydrophobicContact CG1-CE2 3.86Å; I865-F878 HydrophobicContact CG1-CZ 4.33Å; P866-F878 HydrophobicContact CB-CZ 4.42Å; P866-F878 WeakPolarHBondContact O-CZ 3Å; I869-F878 HydrophobicContact CB-CD1 4.03Å; I869-F878 HydrophobicContact CB-CE1 4.39Å; I869-F878 HydrophobicContact CD1-CB 4.1Å; I869-F878 HydrophobicContact CD1-CD1 3.75Å; I869-F878 HydrophobicContact CD1-CD2 4.13Å; I869-F878 HydrophobicContact CD1-CE1 4.18Å; I869-F878 HydrophobicContact CD1-CG 3.73Å; I869-F878 HydrophobicContact CG1-CD1 3.76Å; I869-F878 HydrophobicContact CG1-CE1 3.88Å; I869-F878 HydrophobicContact CG1-CG 4.28Å; I869-F878 HydrophobicContact CG1-CZ 4.48Å; F878-C887 HydrophobicContact CD2-CB 4.49Å; F878-H888 WeakPolarHBondContact CA-O 3.39Å; F878-L889 HydrophobicContact CB-CD2 3.37Å; F878-L889 HydrophobicContact CG-CD2 4.37Å
879	T	95.6	Very high	93.5	Very high	78 Å²	78	59.2 Å²	59.2	48%	0.479	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.8	167.2	-56.2	0	0	0	0	108.1	C887 H888	T879-C887 CarbonylContact O-C 3.42Å; T879-C887 WeakPolarHBondContact O-CA 3.4Å; T879-H888 PolarHBondContact N-O 2.64Å; T879-H888 PolarHBondContact O-N 3.3Å
880	Y	96.2	Very high	92.9	Very high	25 Å²	25	61.9 Å²	61.9	10%	0.098	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.9	176.3	-179	-110	0	0	0	110.8	L862 S863 I865 H882 T886	L862-Y880 HydrophobicContact CB-CE2 4.19Å; L862-Y880 PolarHBondContact O-OH 3.41Å; S863-Y880 PolarHBondContact O-OH 3.36Å; I865-Y880 HydrophobicContact CB-CD1 3.95Å; I865-Y880 HydrophobicContact CB-CE1 4.27Å; I865-Y880 HydrophobicContact CB-CG 4.16Å; I865-Y880 HydrophobicContact CD1-CD1 4.27Å; I865-Y880 HydrophobicContact CD1-CG 4.23Å; I865-Y880 HydrophobicContact CG1-CD1 4.14Å; I865-Y880 HydrophobicContact CG1-CG 3.95Å; Y880-H882 AromaticContact CD1-CD2 3.78Å; Y880-H882 AromaticContact CD1-CE1 3.66Å; Y880-H882 AromaticContact CD1-CG 3.83Å; Y880-H882 AromaticContact CD1-ND1 3.77Å; Y880-H882 AromaticContact CD1-NE2 3.68Å; Y880-H882 HydrophobicContact CE1-CB 4.27Å; Y880-H882 AromaticContact CE1-CE1 3.68Å; Y880-H882 AromaticContact CE1-CG 3.69Å; Y880-H882 AromaticContact CE1-ND1 3.41Å; Y880-H882 WeakPolarHBondContact CE1-ND1 3.35Å; Y880-T886 WeakPolarHBondContact CD2-O 3.33Å
881	H	93.8	Very high	91.7	Very high	74 Å²	74	62.7 Å²	62.7	34%	0.343	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	101	178.2	-62.7	-85.6	0	0	0	108.6	N883 E884 Q885 T886	H881-N883 VanDerWaalsContact C-N 3.34Å; H881-N883 PolarHBondContact O-N 3.18Å; H881-E884 HydrophobicContact CB-CB 4.41Å; H881-E884 WeakPolarHBondContact CB-OE2 3.4Å; H881-E884 PolarHBondContact O-N 3.04Å; H881-Q885 PolarHBondContact O-N 2.7Å; H881-T886 PolarHBondContact N-O 3.32Å; H881-T886 PolarHBondContact O-N 3.17Å
882	H	92.4	Very high	90.2	Very high	134 Å²	134	67 Å²	67	62%	0.62	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-38.1	-171.7	-74.7	-93.3	0	0	0	113.5	Y880	Y880-H882 AromaticContact CD1-CD2 3.78Å; Y880-H882 AromaticContact CD1-CE1 3.66Å; Y880-H882 AromaticContact CD1-CG 3.83Å; Y880-H882 AromaticContact CD1-ND1 3.77Å; Y880-H882 AromaticContact CD1-NE2 3.68Å; Y880-H882 HydrophobicContact CE1-CB 4.27Å; Y880-H882 AromaticContact CE1-CE1 3.68Å; Y880-H882 AromaticContact CE1-CG 3.69Å; Y880-H882 AromaticContact CE1-ND1 3.41Å; Y880-H882 WeakPolarHBondContact CE1-ND1 3.35Å
883	N	90.7	Very high	88.8	Confident	135 Å²	135	69.5 Å²	69.5	72%	0.722	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-37	-175.2	-67.4	-22.9	0	0	0	111.9	H881	H881-N883 VanDerWaalsContact C-N 3.34Å; H881-N883 PolarHBondContact O-N 3.18Å
884	E	90.6	Very high	88	Confident	75 Å²	75	70.5 Å²	70.5	35%	0.35	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-3.8	-178.2	-59.1	75.3	-167	0	0	112.2	H881 T886	H881-E884 HydrophobicContact CB-CB 4.41Å; H881-E884 WeakPolarHBondContact CB-OE2 3.4Å; H881-E884 PolarHBondContact O-N 3.04Å; E884-T886 VanDerWaalsContact C-N 3.25Å; E884-T886 PolarHBondContact O-N 2.86Å; E884-T886 PolarHBondContact O-OG1 3.17Å
885	Q	94	Very high	87.9	Confident	65 Å²	65	65.9 Å²	65.9	30%	0.304	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	46.6	-177.3	-69.1	-174.8	-19.1	0	0	111.9	G861 L862 H881	G861-Q885 PolarHBondContact N-O 2.81Å; L862-Q885 PolarHBondContact N-O 3.12Å; L862-Q885 CarbonylContact O-C 3.53Å; L862-Q885 WeakPolarHBondContact O-CA 3.47Å; L862-Q885 WeakPolarHBondContact O-CB 3.45Å; H881-Q885 PolarHBondContact O-N 2.7Å
886	T	94.9	Very high	88.1	Confident	12 Å²	12	62.7 Å²	62.7	7%	0.074	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	129.2	-167.6	-64.3	0	0	0	0	111.8	F858 I859 V860 Y880 H881 E884	F858-T886 HydrophobicContact CB-CG2 4.09Å; F858-T886 HydrophobicContact CD1-CG2 4.16Å; I859-T886 CarbonylContact O-C 3.46Å; I859-T886 VanDerWaalsContact O-CA 3.31Å; I859-T886 WeakPolarHBondContact O-CA 3.39Å; V860-T886 WeakPolarHBondContact CG1-OG1 3.4Å; V860-T886 HydrophobicContact CG2-CG2 3.93Å; Y880-T886 WeakPolarHBondContact CD2-O 3.33Å; H881-T886 PolarHBondContact N-O 3.32Å; H881-T886 PolarHBondContact O-N 3.17Å; E884-T886 VanDerWaalsContact C-N 3.25Å; E884-T886 PolarHBondContact O-N 2.86Å; E884-T886 PolarHBondContact O-OG1 3.17Å
887	C	96.1	Very high	88.2	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124.6	164.7	-81.3	0	0	0	0	109.9	F858 I859 L862 P866 I869 F878 T879	F858-C887 CarbonylContact C-O 3.5Å; F858-C887 WeakPolarHBondContact CA-O 3.37Å; I859-C887 HydrophobicContact CB-CB 4.38Å; I859-C887 PolarHBondContact N-O 2.67Å; I859-C887 PolarHBondContact O-N 2.86Å; L862-C887 HydrophobicContact CD1-CB 3.77Å; L862-C887 WeakPolarHBondContact CD1-SG 3.38Å; P866-C887 VanDerWaalsContact CD-SG 3.58Å; I869-C887 HydrophobicContact CD1-CB 3.98Å; F878-C887 HydrophobicContact CD2-CB 4.49Å; T879-C887 CarbonylContact O-C 3.42Å; T879-C887 WeakPolarHBondContact O-CA 3.4Å
888	H	95.6	Very high	88.2	Confident	33 Å²	33	56.6 Å²	56.6	15%	0.153	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115.8	171.1	179.5	-150.2	0	0	0	110	Q856 F858 F878 T879	Q856-H888 PolarHBondContact OE1-NE2 2.94Å; Q856-H888 VanDerWaalsContact OE1-NE2 3.16Å; F858-H888 HydrophobicContact CD1-CB 4.02Å; F858-H888 AromaticContact CD1-CD2 3.64Å; F858-H888 HydrophobicContact CE1-CB 4.02Å; F858-H888 AromaticContact CE1-CD2 3.19Å; F858-H888 WeakPolarHBondContact CE1-CD2 3.49Å; F858-H888 AromaticContact CE1-CG 3.58Å; F858-H888 AromaticContact CE1-NE2 3.59Å; F858-H888 AromaticContact CZ-CD2 3.53Å; F858-H888 AromaticContact CZ-NE2 3.49Å; F858-H888 WeakPolarHBondContact CZ-NE2 3.28Å; F878-H888 WeakPolarHBondContact CA-O 3.39Å; T879-H888 PolarHBondContact N-O 2.64Å; T879-H888 PolarHBondContact O-N 3.3Å
889	L	94.3	Very high	88.2	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	123	175.8	-43.8	-177.3	0	0	0	107.9	Q856 I857 I859 I869 L876 F878 I903	Q856-L889 CarbonylContact C-O 3.51Å; Q856-L889 VanDerWaalsContact CA-O 3.24Å; Q856-L889 WeakPolarHBondContact CA-O 3.49Å; I857-L889 HydrophobicContact CB-CB 4.13Å; I857-L889 HydrophobicContact CB-CD1 4.03Å; I857-L889 HydrophobicContact CB-CG 4.26Å; I857-L889 HydrophobicContact CG2-CD1 4.15Å; I857-L889 PolarHBondContact N-O 2.93Å; I857-L889 PolarHBondContact O-N 2.89Å; I859-L889 HydrophobicContact CD1-CD1 3.9Å; I859-L889 HydrophobicContact CG1-CD1 4.43Å; I869-L889 HydrophobicContact CD1-CD2 3.64Å; I869-L889 HydrophobicContact CG2-CD1 4.15Å; I869-L889 HydrophobicContact CG2-CD2 4.1Å; L876-L889 HydrophobicContact CD2-CB 3.99Å; L876-L889 HydrophobicContact CD2-CD1 3.9Å; L876-L889 HydrophobicContact CD2-CD2 4.35Å; L876-L889 HydrophobicContact CD2-CG 4.3Å; F878-L889 HydrophobicContact CB-CD2 3.37Å; F878-L889 HydrophobicContact CG-CD2 4.37Å; L889-I903 HydrophobicContact CD1-CD1 4.11Å; L889-I903 HydrophobicContact CD1-CG2 3.93Å
890	T	84.1	Confident	88.2	Confident	58 Å²	58	61.6 Å²	61.6	36%	0.356	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	134.8	171.9	51.2	0	0	0	0	109.3	Q892	T890-Q892 PolarHBondContact O-N 3.43Å
891	S	68.8	Low	88.2	Confident	41 Å²	41	61 Å²	61	29%	0.287	29%	0.291	S	S	.	.			trans	-67.6	91.2	-176.2	-175.8	0	0	0	0	111.5	V854 K855 Y893	V854-S891 WeakPolarHBondContact O-CB 3.2Å; V854-S891 PolarHBondContact O-OG 3.37Å; K855-S891 VanDerWaalsContact O-CB 3.26Å; K855-S891 WeakPolarHBondContact O-CB 3.3Å; K855-S891 PolarHBondContact O-N 2.92Å; S891-Y893 PolarHBondContact OG-O 3.05Å
892	Q	62.1	Low	88.3	Confident	106 Å²	106	59.6 Å²	59.6	50%	0.495	29%	0.288	S	S	.	.	S	Bend	trans	-82.2	-23.2	163.2	-64.7	-167.5	-0.7	0	0	112	T890	T890-Q892 PolarHBondContact O-N 3.43Å
893	Y	64.3	Low	88.6	Confident	127 Å²	127	53.2 Å²	53.2	50%	0.498	26%	0.259	S	S	.	.	S	Bend	trans	-111.9	151.9	177.4	-61	-76.8	0	0	0	110	L876 S891 M895	L876-Y893 HydrophobicContact CD1-CD2 3.79Å; L876-Y893 HydrophobicContact CD1-CE2 4.4Å; S891-Y893 PolarHBondContact OG-O 3.05Å; Y893-M895 PolarHBondContact O-N 3.15Å
894	Y	75.2	Confident	88.8	Confident	146 Å²	146	51 Å²	51	57%	0.573	24%	0.243	S	C	*	.			trans	-66.9	100.4	179.4	-174.5	-105.9	0	0	0	111.2	D853 T896	D853-Y894 WeakPolarHBondContact OD1-CE2 3.5Å; D853-Y894 PolarHBondContact OD1-OH 2.97Å; Y894-T896 HydrophobicContact CD1-CG2 4.07Å; Y894-T896 HydrophobicContact CE1-CG2 3.41Å; Y894-T896 VanDerWaalsContact CE1-CG2 3.41Å
895	M	90.1	Very high	89.1	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.02	23%	0.226	C	C	.	.			trans	-98.8	128.3	166.8	-67.7	179.2	-63.7	0	0	108.8	V854 I857 L871 Y893 I903	V854-M895 HydrophobicContact CB-CB 3.88Å; V854-M895 HydrophobicContact CG1-CE 4.4Å; V854-M895 PolarHBondContact N-O 2.78Å; I857-M895 HydrophobicContact CD1-CE 4.36Å; I857-M895 HydrophobicContact CD1-SD 3.98Å; L871-M895 HydrophobicContact CD1-CG 4.03Å; L871-M895 HydrophobicContact CD1-SD 4.2Å; L871-M895 HydrophobicContact CD2-CG 3.53Å; L871-M895 HydrophobicContact CD2-SD 4.13Å; L871-M895 HydrophobicContact CG-CG 4.44Å; Y893-M895 PolarHBondContact O-N 3.15Å; M895-I903 HydrophobicContact SD-CD1 4.12Å
896	T	93.3	Very high	89.2	Confident	7 Å²	7	47.3 Å²	47.3	4%	0.043	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-137.5	140	-178.5	179.5	0	0	0	0	110.4	L852 Y894 S898 K899	L852-T896 CarbonylContact O-C 3.5Å; L852-T896 WeakPolarHBondContact O-CA 3.49Å; Y894-T896 HydrophobicContact CD1-CG2 4.07Å; Y894-T896 HydrophobicContact CE1-CG2 3.41Å; Y894-T896 VanDerWaalsContact CE1-CG2 3.41Å; T896-S898 WeakPolarHBondContact CG2-OG 3.2Å; T896-S898 PolarHBondContact O-N 2.96Å; T896-S898 PolarHBondContact OG1-N 3.01Å; T896-S898 PolarHBondContact OG1-OG 3.39Å; T896-K899 HydrophobicContact CG2-CB 4.41Å; T896-K899 HydrophobicContact CG2-CG 4.45Å
897	L	94.4	Very high	89.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	4	173.4	-59.6	-172.8	0	0	0	112.9	F782 L808 V823 F825 V834 S836 L852 V854 K899 F901	F782-L897 HydrophobicContact CB-CD1 4.47Å; F782-L897 HydrophobicContact CD2-CD1 3.42Å; F782-L897 VanDerWaalsContact CD2-CD1 3.42Å; F782-L897 HydrophobicContact CD2-CG 4.29Å; F782-L897 HydrophobicContact CE2-CD1 3.74Å; F782-L897 HydrophobicContact CG-CD1 4.03Å; L808-L897 HydrophobicContact CD2-CD1 3.33Å; V823-L897 HydrophobicContact CG1-CD2 4.33Å; V823-L897 HydrophobicContact CG2-CB 4.14Å; F825-L897 HydrophobicContact CE1-CD2 4.02Å; F825-L897 HydrophobicContact CZ-CD2 4.47Å; V834-L897 HydrophobicContact CG1-CD2 4.04Å; S836-L897 VanDerWaalsContact CB-O 3.28Å; S836-L897 WeakPolarHBondContact CB-O 3.32Å; S836-L897 PolarHBondContact OG-O 3.42Å; L852-L897 HydrophobicContact CB-CB 4.32Å; L852-L897 HydrophobicContact CD2-CB 4.37Å; L852-L897 PolarHBondContact O-N 3.03Å; V854-L897 HydrophobicContact CG2-CD1 4.3Å; V854-L897 HydrophobicContact CG2-CD2 3.35Å; V854-L897 HydrophobicContact CG2-CG 3.52Å; L897-K899 VanDerWaalsContact C-N 3.32Å; L897-F901 HydrophobicContact CD2-CE1 4.21Å; L897-F901 HydrophobicContact CD2-CZ 4.45Å
898	S	92.3	Very high	88.6	Confident	14 Å²	14	56.2 Å²	56.2	10%	0.098	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-10.7	170.9	62.9	0	0	0	0	113.7	T896	T896-S898 WeakPolarHBondContact CG2-OG 3.2Å; T896-S898 PolarHBondContact O-N 2.96Å; T896-S898 PolarHBondContact OG1-N 3.01Å; T896-S898 PolarHBondContact OG1-OG 3.39Å
899	K	92.8	Very high	88.2	Confident	141 Å²	141	57.4 Å²	57.4	61%	0.613	28%	0.279	S	S	*	.	S	Bend	trans	-143	156	-175.6	-63.3	-179.8	-177.1	177.1	0	111.2	T896 L897	T896-K899 HydrophobicContact CG2-CB 4.41Å; T896-K899 HydrophobicContact CG2-CG 4.45Å; L897-K899 VanDerWaalsContact C-N 3.32Å
900	D	96.3	Very high	87.9	Confident	97 Å²	97	60.4 Å²	60.4	52%	0.519	29%	0.294	S	S	.	.			trans	-68	140.6	173.8	-63.9	2.3	0	0	0	111.3	V834 T835 S836	V834-D900 WeakPolarHBondContact O-CA 2.94Å; T835-D900 WeakPolarHBondContact CA-OD1 3.38Å; S836-D900 PolarHBondContact N-OD1 3.03Å
901	F	95.9	Very high	88.1	Confident	12 Å²	12	60.6 Å²	60.6	5%	0.053	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	164.5	169.3	64.5	-90.9	0	0	0	111.2	V834 V854 L871 N872 L897 I903	V834-F901 HydrophobicContact CB-CD1 3.99Å; V834-F901 HydrophobicContact CB-CD2 4.29Å; V834-F901 HydrophobicContact CB-CE1 3.76Å; V834-F901 HydrophobicContact CB-CE2 4.07Å; V834-F901 HydrophobicContact CB-CG 4.26Å; V834-F901 HydrophobicContact CB-CZ 3.8Å; V834-F901 HydrophobicContact CG1-CD1 4.2Å; V834-F901 HydrophobicContact CG1-CE1 3.67Å; V834-F901 HydrophobicContact CG1-CZ 3.96Å; V834-F901 HydrophobicContact CG2-CD1 4.46Å; V834-F901 HydrophobicContact CG2-CD2 4.05Å; V834-F901 HydrophobicContact CG2-CE1 3.96Å; V834-F901 HydrophobicContact CG2-CE2 3.48Å; V834-F901 VanDerWaalsContact CG2-CE2 3.48Å; V834-F901 HydrophobicContact CG2-CZ 3.44Å; V834-F901 VanDerWaalsContact CG2-CZ 3.44Å; V834-F901 PolarHBondContact N-O 3.03Å; V834-F901 PolarHBondContact O-N 3.26Å; V834-F901 VanDerWaalsContact O-N 3.15Å; V854-F901 HydrophobicContact CG2-CZ 4.36Å; L871-F901 HydrophobicContact CD1-CB 4.06Å; L871-F901 HydrophobicContact CD1-CD2 3.61Å; L871-F901 HydrophobicContact CD1-CE2 4.39Å; L871-F901 HydrophobicContact CD1-CG 4.11Å; N872-F901 WeakPolarHBondContact OD1-CA 3.31Å; L897-F901 HydrophobicContact CD2-CE1 4.21Å; L897-F901 HydrophobicContact CD2-CZ 4.45Å; F901-I903 HydrophobicContact CD2-CD1 4.39Å; F901-I903 HydrophobicContact CD2-CG1 4.18Å; F901-I903 HydrophobicContact CE2-CD1 3.94Å; F901-I903 HydrophobicContact CE2-CG1 4.21Å
902	T	97	Very high	89.3	Confident	45 Å²	45	61.7 Å²	61.7	28%	0.276	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	141.6	178.9	55.7	0	0	0	0	110.5	T831 L832 T833 L871 N872	T831-T902 HydrophobicContact CG2-CG2 4.36Å; L832-T902 CarbonylContact O-C 3.5Å; L832-T902 VanDerWaalsContact O-CA 3.26Å; L832-T902 WeakPolarHBondContact O-CA 3.41Å; T833-T902 HydrophobicContact CG2-CG2 4.44Å; L871-T902 WeakPolarHBondContact CA-O 3.24Å; N872-T902 PolarHBondContact N-O 3.04Å; N872-T902 PolarHBondContact OD1-N 3.21Å; N872-T902 PolarHBondContact OD1-OG1 3.15Å
903	I	96.8	Very high	91	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	116.5	169.9	-64.7	175	0	0	0	108.3	T831 L832 I857 I859 I869 M870 L871 L889 M895 F901	T831-I903 CarbonylContact C-O 3.55Å; T831-I903 WeakPolarHBondContact CA-O 3.14Å; L832-I903 HydrophobicContact CB-CB 4.26Å; L832-I903 HydrophobicContact CD2-CD1 4.4Å; L832-I903 PolarHBondContact N-O 3.14Å; L832-I903 PolarHBondContact O-N 3.3Å; I857-I903 HydrophobicContact CD1-CD1 3.21Å; I859-I903 HydrophobicContact CD1-CG2 4.33Å; I869-I903 HydrophobicContact CG2-CG2 3.6Å; M870-I903 CarbonylContact O-C 3.56Å; M870-I903 VanDerWaalsContact O-CA 3.24Å; M870-I903 WeakPolarHBondContact O-CA 3.45Å; L871-I903 HydrophobicContact CD1-CD1 4.5Å; L871-I903 HydrophobicContact CD1-CG1 3.94Å; L889-I903 HydrophobicContact CD1-CD1 4.11Å; L889-I903 HydrophobicContact CD1-CG2 3.93Å; M895-I903 HydrophobicContact SD-CD1 4.12Å; F901-I903 HydrophobicContact CD2-CD1 4.39Å; F901-I903 HydrophobicContact CD2-CG1 4.18Å; F901-I903 HydrophobicContact CE2-CD1 3.94Å; F901-I903 HydrophobicContact CE2-CG1 4.21Å
904	K	96.8	Very high	92.7	Very high	88 Å²	88	54.4 Å²	54.4	38%	0.383	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.4	-178.9	-176.5	173.1	-177.8	176.3	0	110.4	R830 T831 I869 M870	R830-K904 WeakPolarHBondContact O-CA 3.39Å; T831-K904 HydrophobicContact CG2-CB 4.44Å; I869-K904 CarbonylContact C-O 3.56Å; I869-K904 WeakPolarHBondContact CA-O 3.44Å; M870-K904 HydrophobicContact CE-CB 4.35Å; M870-K904 HydrophobicContact CE-CD 4.22Å; M870-K904 HydrophobicContact CE-CG 4.37Å; M870-K904 PolarHBondContact N-O 3.05Å; M870-K904 PolarHBondContact O-N 3.17Å
905	W	96.6	Very high	94	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	143.4	173.7	59.6	94.4	0	0	0	111.6	L788 D792 I802 V827 R830 L832 I859 P866 E868 I869 F907	L788-W905 HydrophobicContact CD1-CZ2 4.25Å; L788-W905 HydrophobicContact CD2-CH2 4Å; L788-W905 HydrophobicContact CD2-CZ2 3.94Å; D792-W905 PolarHBondContact OD2-NE1 3.43Å; I802-W905 HydrophobicContact CD1-CZ2 3.75Å; V827-W905 HydrophobicContact CG1-CH2 3.61Å; V827-W905 HydrophobicContact CG1-CZ2 4.16Å; V827-W905 HydrophobicContact CG2-CH2 4.15Å; R830-W905 HydrophobicContact CB-CD2 4.05Å; R830-W905 HydrophobicContact CB-CG 4.25Å; R830-W905 HydrophobicContact CB-CZ2 4.15Å; R830-W905 WeakPolarHBondContact CB-O 3.28Å; R830-W905 HydrophobicContact CG-CZ2 4.44Å; R830-W905 PolarHBondContact O-N 2.86Å; R830-W905 VanDerWaalsContact O-N 3.13Å; L832-W905 HydrophobicContact CB-CZ3 4.37Å; I859-W905 HydrophobicContact CD1-CE3 3.92Å; I859-W905 HydrophobicContact CD1-CZ3 4.08Å; I859-W905 HydrophobicContact CG2-CH2 4.4Å; P866-W905 HydrophobicContact CB-CB 4.21Å; P866-W905 HydrophobicContact CG-CB 4.28Å; E868-W905 WeakPolarHBondContact O-CA 3.42Å; I869-W905 HydrophobicContact CD1-CB 4.47Å; I869-W905 HydrophobicContact CG1-CB 3.87Å; W905-F907 AromaticContact CD1-CE2 3.5Å; W905-F907 AromaticContact NE1-CE2 3.95Å
906	I	95.4	Very high	94.3	Very high	61 Å²	61	51.2 Å²	51.2	31%	0.313	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146	-176	-58.9	176.8	0	0	0	108.6	P866 S867 E868 M870	P866-I906 CarbonylContact C-O 3.47Å; P866-I906 VanDerWaalsContact CA-O 3.32Å; P866-I906 WeakPolarHBondContact CA-O 3.24Å; P866-I906 WeakPolarHBondContact CB-O 3.21Å; S867-I906 PolarHBondContact N-O 2.64Å; S867-I906 PolarHBondContact OG-O 3.24Å; E868-I906 PolarHBondContact N-O 2.8Å; E868-I906 PolarHBondContact O-N 3.01Å; M870-I906 HydrophobicContact CE-CD1 3.43Å; M870-I906 VanDerWaalsContact CE-CD1 3.43Å; M870-I906 HydrophobicContact CE-CG1 4.2Å
907	F	93.9	Very high	94.4	Very high	20 Å²	20	54.9 Å²	54.9	9%	0.088	28%	0.276	C	S	.	.			trans	-114.5	151.7	171.6	-65.5	-87.5	0	0	0	109.8	D792 G794 L862 K864 I865 P866 W905	D792-F907 WeakPolarHBondContact OD2-CE2 3.1Å; G794-F907 VanDerWaalsContact CA-CD2 3.46Å; G794-F907 VanDerWaalsContact CA-CG 3.45Å; L862-F907 HydrophobicContact CD2-CZ 4.28Å; K864-F907 HydrophobicContact CB-CD1 4.06Å; K864-F907 HydrophobicContact CB-CE1 3.78Å; K864-F907 HydrophobicContact CD-CD1 3.94Å; K864-F907 HydrophobicContact CG-CD1 4.03Å; K864-F907 HydrophobicContact CG-CE1 4.21Å; K864-F907 WeakPolarHBondContact O-CE1 3.37Å; I865-F907 WeakPolarHBondContact O-CD1 3.38Å; P866-F907 HydrophobicContact CB-CE1 4.31Å; P866-F907 HydrophobicContact CG-CE1 3.99Å; P866-F907 HydrophobicContact CG-CZ 4.03Å; W905-F907 AromaticContact CD1-CE2 3.5Å; W905-F907 AromaticContact NE1-CE2 3.95Å
908	N	84.5	Confident	94.4	Very high	180 Å²	180	59.9 Å²	59.9	96%	0.963	30%	0.301	S	S	*	.			trans	-77.7	0	166.8	-65.4	-17.8	0	0	0	112	K864 S867	K864-N908 PolarHBondContact NZ-O 3.33Å; S867-N908 VanDerWaalsContact CB-CG 3.42Å; S867-N908 WeakPolarHBondContact CB-OD1 3.48Å; S867-N908 PolarHBondContact OG-N 3.24Å; S867-N908 PolarHBondContact OG-OD1 3.24Å

Retrieved 908 of 908 residues in 2431.9 ms (Link to these results)

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