A0A077ZCI2_TRITR Loading...

RING finger protein nhl 1

AlphaFold DB , UniProt , Accession A0A077ZCI2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 916 aa.

						>A0A077ZCI2_TRITR|A0A077ZCI2
MDPTRRTVKCPECRVEHLAPQDGARGWPTNYTLVGFLEIHLRATEQSVVEFEAYIRRYNMERCKVCNEKAVLEHCAHCNKKICPDCLTNHSDMIKRDLKRLLTQVKRISCRITDWSETVSGAINGLAVQAASAKEEVKEWMRRIAKQVKKREEVLMAEVDAFCSTESRIMTSVRQTFELESCNISEACARLDAYLKGDREMTLEEAVHYKQMFLEGLEHLRSFSPDIDGMCNKRFRFAINTSTATLANIIAHFGEIQVSNFLTNISLQNTDIAIPRFLRLALESDANESNHERLSSNKVREEHVEDKRSTAADDSAANGRVRKACSRFQPSEAYESHRQSERTCSDVAEAMANSPWVGVHRIAHALNEGSTPREDDAESPNSSEACSSNGQSGSHKADKKASLIKMNNQQSDDTDEELNNRIANIRKNFEMRKRELDKQVRTIQDQKARSPVCMNEPLTEPDSDDDVSPQDMDYDLDVQPIEVQVFKSVLAPYSPSSPVQRSQLSREPSQEENEPYGELEETGSRHSPDLFIPRSSVDKKAKRRSWAAPGTLESSRTIDKRQFYRIDDVVGHSGSRGQSHEMFGSGKQYIQNSLEEEAKTDRSARQPASSGNNAQRRPLKRYTYTNNAPKNNYARKGRMILKFGHKGDSPGQFNWPRGLALTPNGKEVVICDSSNHRIQVFDIRGKFLRTFGKYGTGTGQFDSLAGICVNQYGQMIVTDRYNHRIQVLDPSGRTVRIFGSHGQTNGRFNNPWGVTMDLQGFIYVCDKDNHRVQILQADGSYVGKFGDLGSHEGQFQHPHFITSNRHNQLIVSDTNNHRIQVFDREGQFLFSFGTEGYHEGQFKYPKGVAVDEQEFIFVADSGNSRVQIFYPDGRFFAQFGSWGSGDGELRAIEDIRVTSDGLIIVSDRENHRIQVF
					

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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	42.8	Very low	60.6	Low	237 Å²	237	129.5 Å²	129.5	100%	1.167	66%	0.66	S	S	*	*				0	95.2	0	-66.2	-66.2	-170.5	0	0	106.1	P3	M1-P3 VanDerWaalsContact O-CD 3.29Å; M1-P3 WeakPolarHBondContact O-CD 3.49Å
2	D	46.1	Very low	60.6	Low	130 Å²	130	132.1 Å²	132.1	70%	0.695	67%	0.668	S	S	*	*			trans	-67.9	112.9	-163.6	-160.8	-13.4	0	0	0	111.6	T4	D2-T4 PolarHBondContact O-N 3.49Å; D2-T4 VanDerWaalsContact O-N 3.1Å; D2-T4 PolarHBondContact OD1-OG1 3.01Å; D2-T4 VanDerWaalsContact OD1-OG1 3.09Å
3	P	48.7	Very low	61.6	Low	114 Å²	114	127.4 Å²	127.4	74%	0.74	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	13.7	-168	29.9	-31.5	0	0	0	114.9	M1	M1-P3 VanDerWaalsContact O-CD 3.29Å; M1-P3 WeakPolarHBondContact O-CD 3.49Å
4	T	57.4	Low	62.3	Low	103 Å²	103	132.4 Å²	132.4	63%	0.632	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	1	-167	55.6	0	0	0	0	116.4	D2	D2-T4 PolarHBondContact O-N 3.49Å; D2-T4 VanDerWaalsContact O-N 3.1Å; D2-T4 PolarHBondContact OD1-OG1 3.01Å; D2-T4 VanDerWaalsContact OD1-OG1 3.09Å
5	R	56.5	Low	63.3	Low	208 Å²	208	128.8 Å²	128.8	79%	0.785	65%	0.648	S	S	*	*			trans	-103	77.5	176.6	-74.3	-175.6	173.6	-171	-1.7	112.4	L18	R5-L18 HydrophobicContact CB-CD2 4.5Å; R5-L18 HydrophobicContact CG-CD2 4.43Å
6	R	67.3	Low	64.1	Low	201 Å²	201	127.4 Å²	127.4	76%	0.758	64%	0.638	S	S	*	*			trans	-86.5	120.4	166.2	-68.4	-175.8	-179	-173.8	-0.3	109.1	A19	R6-A19 HydrophobicContact CB-CB 4.38Å; R6-A19 WeakPolarHBondContact O-CB 3.48Å; R6-A19 PolarHBondContact O-N 3.24Å
7	T	76.4	Confident	64.5	Low	75 Å²	75	124.6 Å²	124.6	46%	0.46	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.4	147	168.7	51.9	0	0	0	0	109.9	H17 L18	T7-H17 CarbonylContact C-O 3.5Å; T7-H17 VanDerWaalsContact CA-O 3.29Å; T7-H17 WeakPolarHBondContact CA-O 3.49Å; T7-L18 HydrophobicContact CG2-CD2 3.86Å; T7-L18 HydrophobicContact CG2-CG 4.43Å
8	V	72.4	Confident	65	Low	70 Å²	70	123.9 Å²	123.9	42%	0.424	62%	0.621	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.8	127.9	176.1	-174.5	0	0	0	0	107.8	H17 A19 W27	V8-H17 PolarHBondContact N-O 3.33Å; V8-H17 PolarHBondContact O-N 3.49Å; V8-A19 HydrophobicContact CG2-CB 4.2Å; V8-W27 HydrophobicContact CB-CH2 4.1Å; V8-W27 HydrophobicContact CB-CZ2 3.97Å; V8-W27 HydrophobicContact CG2-CZ2 3.98Å
9	K	69.7	Low	65	Low	126 Å²	126	119.4 Å²	119.4	55%	0.548	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.7	127.8	172.1	-94.1	-165.4	164	87.3	0	110.1	R14 V15 E16	K9-R14 WeakPolarHBondContact CE-O 3.48Å; K9-V15 WeakPolarHBondContact CA-O 3.35Å; K9-E16 HydrophobicContact CB-CG 4.47Å; K9-E16 HydrophobicContact CD-CG 4.35Å; K9-E16 HydrophobicContact CG-CG 3.37Å; K9-E16 IonicContact NZ-OE1 2.69Å; K9-E16 PolarHBondContact NZ-OE1 3.31Å
10	C	65.6	Low	65	Low	37 Å²	37	115.4 Å²	115.4	25%	0.25	59%	0.587	C	S	.	*			trans	-69.4	130.4	169.7	175.9	0	0	0	0	110.3	E12 C13 R14 V15	C10-E12 VanDerWaalsContact C-N 3.3Å; C10-E12 PolarHBondContact O-N 3.26Å; C10-C13 VanDerWaalsContact CB-SG 3.5Å; C10-C13 VanDerWaalsContact SG-SG 3.61Å; C10-R14 WeakPolarHBondContact O-CA 3.44Å; C10-R14 PolarHBondContact O-N 3.34Å; C10-V15 PolarHBondContact N-O 2.98Å
11	P	64	Low	65.1	Low	123 Å²	123	119.3 Å²	119.3	80%	0.799	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-26.1	179.4	25.1	-32.4	0	0	0	113.8
12	E	59.9	Low	66.2	Low	161 Å²	161	114.7 Å²	114.7	75%	0.752	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-51.2	-179.9	-70.5	-171.7	177.7	0	0	112.6	C10	C10-E12 VanDerWaalsContact C-N 3.3Å; C10-E12 PolarHBondContact O-N 3.26Å
13	C	73.9	Confident	67.1	Low	71 Å²	71	110.2 Å²	110.2	48%	0.48	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.2	-6.6	-175.5	68.3	0	0	0	0	114.5	C10 V15	C10-C13 VanDerWaalsContact CB-SG 3.5Å; C10-C13 VanDerWaalsContact SG-SG 3.61Å; C13-V15 HydrophobicContact CB-CG2 4.3Å; C13-V15 PolarHBondContact O-N 2.9Å
14	R	72.2	Confident	67.8	Low	197 Å²	197	109 Å²	109	74%	0.743	57%	0.568	S	S	*	*			trans	59	5.1	-177.5	-58.7	-178.6	176.5	-175.5	-1.2	115.7	K9 C10	K9-R14 WeakPolarHBondContact CE-O 3.48Å; C10-R14 WeakPolarHBondContact O-CA 3.44Å; C10-R14 PolarHBondContact O-N 3.34Å
15	V	76.6	Confident	68	Low	79 Å²	79	115.6 Å²	115.6	48%	0.479	58%	0.581	S	S	.	*			trans	-71.5	139	174.2	-179.9	0	0	0	0	109.3	K9 C10 C13 H17	K9-V15 WeakPolarHBondContact CA-O 3.35Å; C10-V15 PolarHBondContact N-O 2.98Å; C13-V15 HydrophobicContact CB-CG2 4.3Å; C13-V15 PolarHBondContact O-N 2.9Å; V15-H17 PolarHBondContact O-CD2 3.48Å
16	E	75.8	Confident	68.3	Low	107 Å²	107	107.3 Å²	107.3	50%	0.5	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.1	118	173.2	-77	179.4	-161.4	0	0	109.8	K9	K9-E16 HydrophobicContact CB-CG 4.47Å; K9-E16 HydrophobicContact CD-CG 4.35Å; K9-E16 HydrophobicContact CG-CG 3.37Å; K9-E16 IonicContact NZ-OE1 2.69Å; K9-E16 PolarHBondContact NZ-OE1 3.31Å
17	H	71.2	Confident	68.2	Low	79 Å²	79	102.2 Å²	102.2	37%	0.366	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	143.4	175.4	-64.4	-83.1	0	0	0	109.4	T7 V8 V15 A19 W27	T7-H17 CarbonylContact C-O 3.5Å; T7-H17 VanDerWaalsContact CA-O 3.29Å; T7-H17 WeakPolarHBondContact CA-O 3.49Å; V8-H17 PolarHBondContact N-O 3.33Å; V8-H17 PolarHBondContact O-N 3.49Å; V15-H17 PolarHBondContact O-CD2 3.48Å; H17-A19 PolarHBondContact O-N 2.93Å; H17-W27 HydrophobicContact CB-CH2 3.65Å; H17-W27 HydrophobicContact CB-CZ3 3.73Å
18	L	72.9	Confident	67.5	Low	113 Å²	113	104.1 Å²	104.1	59%	0.592	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-67.9	130.7	171.4	-74.5	161.3	0	0	0	109	R5 T7	R5-L18 HydrophobicContact CB-CD2 4.5Å; R5-L18 HydrophobicContact CG-CD2 4.43Å; T7-L18 HydrophobicContact CG2-CD2 3.86Å; T7-L18 HydrophobicContact CG2-CG 4.43Å
19	A	66	Low	66.9	Low	38 Å²	38	106.3 Å²	106.3	31%	0.314	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-63.4	128.3	174.4	0	0	0	0	0	109.5	R6 V8 H17 W27	R6-A19 HydrophobicContact CB-CB 4.38Å; R6-A19 WeakPolarHBondContact O-CB 3.48Å; R6-A19 PolarHBondContact O-N 3.24Å; V8-A19 HydrophobicContact CG2-CB 4.2Å; H17-A19 PolarHBondContact O-N 2.93Å; A19-W27 HydrophobicContact CB-CZ2 4.39Å
20	P	65.6	Low	66.4	Low	39 Å²	39	103.6 Å²	103.6	25%	0.253	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-56.1	145.4	173.6	-22.8	32.3	0	0	0	111.6	D22 G23 W27	P20-D22 PolarHBondContact O-N 3.21Å; P20-G23 PolarHBondContact O-N 3.29Å; P20-G23 VanDerWaalsContact O-N 3.14Å; P20-W27 HydrophobicContact CG-CD2 4.18Å; P20-W27 HydrophobicContact CG-CG 4.25Å
21	Q	66.5	Low	66.1	Low	198 Å²	198	111.6 Å²	111.6	93%	0.925	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-31.7	179.1	-75.2	-176.1	-3.5	0	0	112.6	G23	Q21-G23 PolarHBondContact O-N 2.85Å; Q21-G23 VanDerWaalsContact O-N 3.1Å
22	D	65.7	Low	65.8	Low	139 Å²	139	110.2 Å²	110.2	74%	0.743	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	14.6	178.3	-62.6	-35.3	0	0	0	113.9	P20	P20-D22 PolarHBondContact O-N 3.21Å
23	G	64.9	Low	65.4	Low	36 Å²	36	107.4 Å²	107.4	37%	0.371	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	65.4	-151.2	-179.8	0	0	0	0	0	112.7	P20 Q21 R25 G26	P20-G23 PolarHBondContact O-N 3.29Å; P20-G23 VanDerWaalsContact O-N 3.14Å; Q21-G23 PolarHBondContact O-N 2.85Å; Q21-G23 VanDerWaalsContact O-N 3.1Å; G23-R25 PolarHBondContact O-N 2.82Å; G23-G26 PolarHBondContact O-N 3.3Å
24	A	62.8	Low	64.6	Low	90 Å²	90	106.5 Å²	106.5	74%	0.744	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-57.1	-25	-174	0	0	0	0	0	114	G26	A24-G26 VanDerWaalsContact C-N 3.32Å; A24-G26 PolarHBondContact O-N 3.01Å
25	R	62.6	Low	64	Low	240 Å²	240	98.3 Å²	98.3	91%	0.906	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-72.5	-21.5	179.4	-72.2	-176.4	176.3	179	-1.1	113.8	G23 W27	G23-R25 PolarHBondContact O-N 2.82Å; R25-W27 VanDerWaalsContact C-N 3.33Å
26	G	63	Low	62.9	Low	34 Å²	34	101.3 Å²	101.3	35%	0.351	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-82.7	-6	179.9	0	0	0	0	0	114.5	G23 A24	G23-G26 PolarHBondContact O-N 3.3Å; A24-G26 VanDerWaalsContact C-N 3.32Å; A24-G26 PolarHBondContact O-N 3.01Å
27	W	64.8	Low	61.8	Low	95 Å²	95	101.3 Å²	101.3	36%	0.36	54%	0.543	S	S	.	.	S	Bend	trans	-75.3	136.1	174.9	-68.2	89.8	0	0	0	109.8	V8 H17 A19 P20 R25 T29	V8-W27 HydrophobicContact CB-CH2 4.1Å; V8-W27 HydrophobicContact CB-CZ2 3.97Å; V8-W27 HydrophobicContact CG2-CZ2 3.98Å; H17-W27 HydrophobicContact CB-CH2 3.65Å; H17-W27 HydrophobicContact CB-CZ3 3.73Å; A19-W27 HydrophobicContact CB-CZ2 4.39Å; P20-W27 HydrophobicContact CG-CD2 4.18Å; P20-W27 HydrophobicContact CG-CG 4.25Å; R25-W27 VanDerWaalsContact C-N 3.33Å; W27-T29 PolarHBondContact O-N 3.49Å
28	P	62.1	Low	61.2	Low	115 Å²	115	101.4 Å²	101.4	75%	0.747	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-55.4	127.6	173.4	9.9	-13.5	0	0	0	109	N30	P28-N30 PolarHBondContact O-N 3.48Å; P28-N30 VanDerWaalsContact O-N 3.16Å
29	T	60	Low	60.3	Low	116 Å²	116	100 Å²	100	71%	0.712	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-53.8	122.8	173.3	34	0	0	0	0	108.1	W27 Y31	W27-T29 PolarHBondContact O-N 3.49Å; T29-Y31 PolarHBondContact O-N 3.04Å
30	N	58.4	Low	59.6	Low	69 Å²	69	104.6 Å²	104.6	37%	0.369	55%	0.551	S	S	.	*			trans	-60.8	103.6	-179.8	-178.6	-30.8	0	0	0	108	P28 T32 L33 V34	P28-N30 PolarHBondContact O-N 3.48Å; P28-N30 VanDerWaalsContact O-N 3.16Å; N30-T32 PolarHBondContact O-N 3.27Å; N30-T32 VanDerWaalsContact O-N 3.15Å; N30-T32 VanDerWaalsContact OD1-CB 3.22Å; N30-T32 WeakPolarHBondContact OD1-CB 3.21Å; N30-T32 PolarHBondContact OD1-N 2.96Å; N30-T32 VanDerWaalsContact OD1-N 3.1Å; N30-T32 PolarHBondContact OD1-OG1 3.48Å; N30-L33 HydrophobicContact CB-CB 4Å; N30-L33 HydrophobicContact CB-CD1 4.48Å; N30-L33 WeakPolarHBondContact O-CA 3.49Å; N30-L33 WeakPolarHBondContact O-CB 3.45Å; N30-L33 PolarHBondContact O-N 3.4Å; N30-L33 PolarHBondContact OD1-N 3.26Å; N30-V34 PolarHBondContact O-N 3.28Å
31	Y	59.5	Low	59	Low	204 Å²	204	109.8 Å²	109.8	80%	0.8	58%	0.576	S	S	*	*	H	α-helix	trans	-55.8	-33.1	-175.3	-170.8	-92.4	0	0	0	111.6	T29 G35	T29-Y31 PolarHBondContact O-N 3.04Å; Y31-G35 PolarHBondContact O-N 2.84Å
32	T	56.8	Low	58.4	Low	94 Å²	94	109 Å²	109	58%	0.577	56%	0.564	S	S	*	*	H	α-helix	trans	-64.8	-40.3	175.4	-6.2	0	0	0	0	112.3	N30 F36	N30-T32 PolarHBondContact O-N 3.27Å; N30-T32 VanDerWaalsContact O-N 3.15Å; N30-T32 VanDerWaalsContact OD1-CB 3.22Å; N30-T32 WeakPolarHBondContact OD1-CB 3.21Å; N30-T32 PolarHBondContact OD1-N 2.96Å; N30-T32 VanDerWaalsContact OD1-N 3.1Å; N30-T32 PolarHBondContact OD1-OG1 3.48Å; T32-F36 PolarHBondContact O-N 2.99Å
33	L	52.6	Low	57.6	Low	103 Å²	103	104.7 Å²	104.7	54%	0.539	55%	0.548	S	S	.	.	H	α-helix	trans	-74.1	-40.7	179.3	-125	156.8	0	0	0	111.2	N30 F36 L37	N30-L33 HydrophobicContact CB-CB 4Å; N30-L33 HydrophobicContact CB-CD1 4.48Å; N30-L33 WeakPolarHBondContact O-CA 3.49Å; N30-L33 WeakPolarHBondContact O-CB 3.45Å; N30-L33 PolarHBondContact O-N 3.4Å; N30-L33 PolarHBondContact OD1-N 3.26Å; L33-F36 PolarHBondContact O-N 3.4Å; L33-L37 HydrophobicContact CD2-CD1 4.39Å; L33-L37 WeakPolarHBondContact O-CG 3.44Å; L33-L37 PolarHBondContact O-N 3.12Å
34	V	56.7	Low	57.2	Low	52 Å²	52	107.4 Å²	107.4	32%	0.315	56%	0.557	S	S	.	*	H	α-helix	trans	-64.8	-41.9	172	179.5	0	0	0	0	110.5	N30 F36 L37 E38	N30-V34 PolarHBondContact O-N 3.28Å; V34-F36 VanDerWaalsContact C-N 3.32Å; V34-F36 PolarHBondContact O-N 3.01Å; V34-L37 CarbonylContact O-C 3.51Å; V34-L37 PolarHBondContact O-N 3.29Å; V34-E38 HydrophobicContact CG1-CG 4.15Å; V34-E38 WeakPolarHBondContact O-CB 3.33Å; V34-E38 PolarHBondContact O-N 2.9Å
35	G	59.2	Low	57	Low	24 Å²	24	111.6 Å²	111.6	25%	0.247	56%	0.562	C	S	.	*	H	α-helix	trans	-59.8	-41.4	174.4	0	0	0	0	0	112.3	Y31 E38 I39	Y31-G35 PolarHBondContact O-N 2.84Å; G35-E38 PolarHBondContact O-N 3.47Å; G35-I39 WeakPolarHBondContact O-CB 3.31Å; G35-I39 WeakPolarHBondContact O-CD1 3.49Å; G35-I39 WeakPolarHBondContact O-CG1 3.37Å; G35-I39 PolarHBondContact O-N 2.9Å
36	F	55	Low	56.6	Low	143 Å²	143	108.3 Å²	108.3	63%	0.627	56%	0.557	S	S	*	*	H	α-helix	trans	-63.5	-40.5	174	-111.4	-84.5	0	0	0	113	T32 L33 V34 H40	T32-F36 PolarHBondContact O-N 2.99Å; L33-F36 PolarHBondContact O-N 3.4Å; V34-F36 VanDerWaalsContact C-N 3.32Å; V34-F36 PolarHBondContact O-N 3.01Å; F36-H40 PolarHBondContact O-ND1 2.97Å
37	L	50.6	Low	56.2	Low	106 Å²	106	108 Å²	108	56%	0.555	55%	0.549	S	S	*	.	H	α-helix	trans	-73.6	-38.1	177.1	-71	169.7	0	0	0	112.2	L33 V34 I39 H40 L41	L33-L37 HydrophobicContact CD2-CD1 4.39Å; L33-L37 WeakPolarHBondContact O-CG 3.44Å; L33-L37 PolarHBondContact O-N 3.12Å; V34-L37 CarbonylContact O-C 3.51Å; V34-L37 PolarHBondContact O-N 3.29Å; L37-I39 VanDerWaalsContact C-N 3.35Å; L37-H40 PolarHBondContact O-N 3.46Å; L37-L41 PolarHBondContact O-N 3.25Å
38	E	59.1	Low	55.9	Low	82 Å²	82	106.4 Å²	106.4	38%	0.383	55%	0.55	S	S	.	.	H	α-helix	trans	-66.2	-35.9	176.3	-86.5	-165.2	-165.4	0	0	112.1	V34 G35 H40 L41 R42	V34-E38 HydrophobicContact CG1-CG 4.15Å; V34-E38 WeakPolarHBondContact O-CB 3.33Å; V34-E38 PolarHBondContact O-N 2.9Å; G35-E38 PolarHBondContact O-N 3.47Å; E38-H40 VanDerWaalsContact C-N 3.25Å; E38-H40 PolarHBondContact O-N 3.37Å; E38-L41 PolarHBondContact O-N 2.82Å; E38-R42 WeakPolarHBondContact O-CG 3.48Å; E38-R42 PolarHBondContact O-N 3.12Å; E38-R42 IonicContact OE2-CZ 3.07Å; E38-R42 IonicContact OE2-NE 3.71Å; E38-R42 IonicContact OE2-NH2 2.89Å; E38-R42 PolarHBondContact OE2-NH2 3.36Å
39	I	54	Low	55.8	Low	83 Å²	83	105.8 Å²	105.8	43%	0.426	54%	0.544	S	S	.	.	H	α-helix	trans	-59.1	-40.2	173.1	-74.7	164.8	0	0	0	110.6	G35 L37 F51	G35-I39 WeakPolarHBondContact O-CB 3.31Å; G35-I39 WeakPolarHBondContact O-CD1 3.49Å; G35-I39 WeakPolarHBondContact O-CG1 3.37Å; G35-I39 PolarHBondContact O-N 2.9Å; L37-I39 VanDerWaalsContact C-N 3.35Å; I39-F51 HydrophobicContact CG2-CE1 3.94Å; I39-F51 HydrophobicContact CG2-CE2 3.82Å; I39-F51 HydrophobicContact CG2-CZ 3.25Å
40	H	51.3	Low	55.7	Low	135 Å²	135	107.4 Å²	107.4	63%	0.625	54%	0.543	S	S	*	.	H	α-helix	trans	-73.4	-34.8	175.9	-73.6	76.5	0	0	0	112.4	F36 L37 E38 A43	F36-H40 PolarHBondContact O-ND1 2.97Å; L37-H40 PolarHBondContact O-N 3.46Å; E38-H40 VanDerWaalsContact C-N 3.25Å; E38-H40 PolarHBondContact O-N 3.37Å; H40-A43 WeakPolarHBondContact O-CB 3.35Å; H40-A43 PolarHBondContact O-N 2.99Å
41	L	52.6	Low	55.6	Low	148 Å²	148	108.4 Å²	108.4	78%	0.775	54%	0.544	S	S	*	.	H	α-helix	trans	-72.8	-24.8	178.6	-76	163.5	0	0	0	113.5	L37 E38 A43	L37-L41 PolarHBondContact O-N 3.25Å; E38-L41 PolarHBondContact O-N 2.82Å; L41-A43 VanDerWaalsContact C-N 3.27Å
42	R	55.8	Low	55.5	Low	181 Å²	181	103.3 Å²	103.3	68%	0.683	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	3.4	173.1	-65.3	-176.9	-166.3	-173.5	9.8	113.3	E38 T44 S47	E38-R42 WeakPolarHBondContact O-CG 3.48Å; E38-R42 PolarHBondContact O-N 3.12Å; E38-R42 IonicContact OE2-CZ 3.07Å; E38-R42 IonicContact OE2-NE 3.71Å; E38-R42 IonicContact OE2-NH2 2.89Å; E38-R42 PolarHBondContact OE2-NH2 3.36Å; R42-T44 PolarHBondContact O-N 3.38Å; R42-S47 PolarHBondContact O-OG 2.91Å
43	A	48.8	Very low	55.5	Low	48 Å²	48	101 Å²	101	40%	0.397	52%	0.518	S	S	.	.			trans	-71.8	90.2	175.2	0	0	0	0	0	110.1	H40 L41 S47 V48	H40-A43 WeakPolarHBondContact O-CB 3.35Å; H40-A43 PolarHBondContact O-N 2.99Å; L41-A43 VanDerWaalsContact C-N 3.27Å; A43-S47 WeakPolarHBondContact CA-OG 3.44Å; A43-V48 HydrophobicContact CB-CG2 4.17Å
44	T	55.9	Low	55.8	Low	93 Å²	93	102 Å²	102	57%	0.571	52%	0.516	S	S	*	.			trans	-78.1	153.1	163.3	36.2	0	0	0	0	108.1	R42 Q46 S47 V48	R42-T44 PolarHBondContact O-N 3.38Å; T44-Q46 PolarHBondContact O-N 3.42Å; T44-S47 PolarHBondContact N-OG 3.27Å; T44-S47 CarbonylContact O-C 3.57Å; T44-S47 WeakPolarHBondContact O-CA 3.33Å; T44-S47 PolarHBondContact O-N 3.3Å; T44-S47 PolarHBondContact O-OG 3.41Å; T44-S47 PolarHBondContact OG1-OG 2.89Å; T44-V48 PolarHBondContact O-N 3.19Å
45	E	57.6	Low	55.8	Low	179 Å²	179	103.8 Å²	103.8	84%	0.836	52%	0.522	S	S	*	.	H	α-helix	trans	-53.4	-32.7	-175.4	-68.7	-180	165.4	0	0	113.6
46	Q	55.2	Low	55.6	Low	170 Å²	170	111.1 Å²	111.1	79%	0.794	54%	0.543	S	S	*	.	H	α-helix	trans	-71.5	-37.9	173.6	-70.3	-179.2	-6.9	0	0	112.8	T44 V48 V49	T44-Q46 PolarHBondContact O-N 3.42Å; Q46-V48 VanDerWaalsContact C-N 3.31Å; Q46-V49 PolarHBondContact O-N 2.88Å
47	S	55.3	Low	55.6	Low	27 Å²	27	113.3 Å²	113.3	19%	0.189	55%	0.546	C	S	.	.	H	α-helix	trans	-73.9	-22.7	176.1	73.7	0	0	0	0	112.2	R42 A43 T44 V49 E50 F51	R42-S47 PolarHBondContact O-OG 2.91Å; A43-S47 WeakPolarHBondContact CA-OG 3.44Å; T44-S47 PolarHBondContact N-OG 3.27Å; T44-S47 CarbonylContact O-C 3.57Å; T44-S47 WeakPolarHBondContact O-CA 3.33Å; T44-S47 PolarHBondContact O-N 3.3Å; T44-S47 PolarHBondContact O-OG 3.41Å; T44-S47 PolarHBondContact OG1-OG 2.89Å; S47-V49 VanDerWaalsContact C-N 3.29Å; S47-V49 PolarHBondContact O-N 3.01Å; S47-E50 PolarHBondContact O-N 2.95Å; S47-F51 WeakPolarHBondContact O-CB 3.26Å; S47-F51 PolarHBondContact O-N 3.35Å
48	V	57.7	Low	55.8	Low	62 Å²	62	116.2 Å²	116.2	38%	0.376	55%	0.551	S	S	.	*	H	α-helix	trans	-59	-40.6	172.8	179.4	0	0	0	0	111.3	A43 T44 Q46 F51 E52	A43-V48 HydrophobicContact CB-CG2 4.17Å; T44-V48 PolarHBondContact O-N 3.19Å; Q46-V48 VanDerWaalsContact C-N 3.31Å; V48-F51 PolarHBondContact O-N 3.5Å; V48-E52 HydrophobicContact CG1-CG 4.39Å; V48-E52 WeakPolarHBondContact O-CB 3.41Å; V48-E52 WeakPolarHBondContact O-CG 3.39Å; V48-E52 PolarHBondContact O-N 3.24Å
49	V	59.6	Low	55.7	Low	102 Å²	102	118.1 Å²	118.1	62%	0.618	56%	0.564	S	S	*	*	H	α-helix	trans	-68.1	-43.6	178	-178.4	0	0	0	0	111.2	Q46 S47 F51 A53	Q46-V49 PolarHBondContact O-N 2.88Å; S47-V49 VanDerWaalsContact C-N 3.29Å; S47-V49 PolarHBondContact O-N 3.01Å; V49-F51 VanDerWaalsContact C-N 3.31Å; V49-F51 PolarHBondContact O-N 3.09Å; V49-A53 VanDerWaalsContact O-CB 3.28Å; V49-A53 WeakPolarHBondContact O-CB 3.2Å; V49-A53 PolarHBondContact O-N 3.13Å
50	E	58.2	Low	56.3	Low	150 Å²	150	118.3 Å²	118.3	70%	0.701	56%	0.564	S	S	*	*	H	α-helix	trans	-64.9	-36	174.2	-70.2	-172.2	160.8	0	0	112	S47 A53 Y54	S47-E50 PolarHBondContact O-N 2.95Å; E50-A53 PolarHBondContact O-N 3.41Å; E50-Y54 WeakPolarHBondContact O-CB 3.16Å; E50-Y54 PolarHBondContact O-N 3.22Å
51	F	57.3	Low	57	Low	90 Å²	90	116.4 Å²	116.4	40%	0.395	56%	0.555	S	S	.	*	H	α-helix	trans	-73.4	-41.7	178.7	-134	-87.7	0	0	0	111.7	I39 S47 V48 V49 A53 Y54 I55	I39-F51 HydrophobicContact CG2-CE1 3.94Å; I39-F51 HydrophobicContact CG2-CE2 3.82Å; I39-F51 HydrophobicContact CG2-CZ 3.25Å; S47-F51 WeakPolarHBondContact O-CB 3.26Å; S47-F51 PolarHBondContact O-N 3.35Å; V48-F51 PolarHBondContact O-N 3.5Å; V49-F51 VanDerWaalsContact C-N 3.31Å; V49-F51 PolarHBondContact O-N 3.09Å; F51-A53 VanDerWaalsContact C-N 3.29Å; F51-A53 PolarHBondContact O-N 3.06Å; F51-Y54 WeakPolarHBondContact O-CB 3.3Å; F51-Y54 PolarHBondContact O-N 3.33Å; F51-I55 HydrophobicContact CD1-CD1 3.83Å; F51-I55 HydrophobicContact CD1-CG1 4.12Å; F51-I55 HydrophobicContact CE1-CD1 4.31Å; F51-I55 HydrophobicContact CE1-CG1 4.46Å; F51-I55 WeakPolarHBondContact O-CB 3.49Å; F51-I55 VanDerWaalsContact O-CG1 3.32Å; F51-I55 WeakPolarHBondContact O-CG1 3.47Å; F51-I55 PolarHBondContact O-N 3.36Å
52	E	57.2	Low	58	Low	98 Å²	98	116.4 Å²	116.4	46%	0.458	55%	0.545	S	S	.	.	H	α-helix	trans	-61.1	-40.9	170.6	-82.5	-162.4	156.4	0	0	110.6	V48 R56	V48-E52 HydrophobicContact CG1-CG 4.39Å; V48-E52 WeakPolarHBondContact O-CB 3.41Å; V48-E52 WeakPolarHBondContact O-CG 3.39Å; V48-E52 PolarHBondContact O-N 3.24Å; E52-R56 VanDerWaalsContact O-CB 3.26Å; E52-R56 WeakPolarHBondContact O-CB 3.4Å; E52-R56 WeakPolarHBondContact O-CG 3.47Å; E52-R56 PolarHBondContact O-N 3.03Å; E52-R56 IonicContact OE2-NH2 3.61Å
53	A	56.2	Low	58.9	Low	44 Å²	44	107.8 Å²	107.8	36%	0.364	51%	0.513	S	S	.	.	H	α-helix	trans	-64.7	-38.2	174	0	0	0	0	0	112.1	V49 E50 F51 R57	V49-A53 VanDerWaalsContact O-CB 3.28Å; V49-A53 WeakPolarHBondContact O-CB 3.2Å; V49-A53 PolarHBondContact O-N 3.13Å; E50-A53 PolarHBondContact O-N 3.41Å; F51-A53 VanDerWaalsContact C-N 3.29Å; F51-A53 PolarHBondContact O-N 3.06Å; A53-R57 WeakPolarHBondContact O-CB 3.26Å; A53-R57 PolarHBondContact O-N 3.12Å
54	Y	58.8	Low	60.2	Low	126 Å²	126	113.6 Å²	113.6	49%	0.494	53%	0.529	S	S	.	.	H	α-helix	trans	-66.3	-48.4	175.1	-176.5	-92.9	0	0	0	111.9	E50 F51 R56 R57 Y58	E50-Y54 WeakPolarHBondContact O-CB 3.16Å; E50-Y54 PolarHBondContact O-N 3.22Å; F51-Y54 WeakPolarHBondContact O-CB 3.3Å; F51-Y54 PolarHBondContact O-N 3.33Å; Y54-R56 PolarHBondContact O-N 3.38Å; Y54-R57 WeakPolarHBondContact O-CB 3.36Å; Y54-R57 PolarHBondContact O-N 3.41Å; Y54-Y58 HydrophobicContact CD1-CD2 4.44Å; Y54-Y58 HydrophobicContact CD2-CD2 4.37Å; Y54-Y58 HydrophobicContact CD2-CE2 4.04Å; Y54-Y58 HydrophobicContact CE1-CD2 4.14Å; Y54-Y58 HydrophobicContact CE1-CE2 4.35Å; Y54-Y58 HydrophobicContact CE2-CD2 4.07Å; Y54-Y58 AromaticContact CE2-CE2 3.52Å; Y54-Y58 HydrophobicContact CE2-CE2 3.52Å; Y54-Y58 AromaticContact CZ-CD2 3.94Å; Y54-Y58 AromaticContact CZ-CE2 3.69Å; Y54-Y58 WeakPolarHBondContact O-CD2 3.1Å; Y54-Y58 PolarHBondContact O-N 3.38Å
55	I	56.4	Low	61.1	Low	88 Å²	88	113.9 Å²	113.9	45%	0.451	53%	0.53	S	S	.	.	H	α-helix	trans	-59.6	-47.6	175.5	-67.5	169.7	0	0	0	109.4	F51 R57 Y58 N59	F51-I55 HydrophobicContact CD1-CD1 3.83Å; F51-I55 HydrophobicContact CD1-CG1 4.12Å; F51-I55 HydrophobicContact CE1-CD1 4.31Å; F51-I55 HydrophobicContact CE1-CG1 4.46Å; F51-I55 WeakPolarHBondContact O-CB 3.49Å; F51-I55 VanDerWaalsContact O-CG1 3.32Å; F51-I55 WeakPolarHBondContact O-CG1 3.47Å; F51-I55 PolarHBondContact O-N 3.36Å; I55-R57 VanDerWaalsContact C-N 3.32Å; I55-R57 PolarHBondContact O-N 2.89Å; I55-Y58 PolarHBondContact O-N 2.65Å; I55-N59 VanDerWaalsContact O-CB 3.3Å; I55-N59 WeakPolarHBondContact O-CB 3.46Å; I55-N59 PolarHBondContact O-N 2.71Å
56	R	54.7	Low	62.1	Low	179 Å²	179	108.1 Å²	108.1	68%	0.675	51%	0.509	S	S	*	.	H	α-helix	trans	-62.7	-33.8	178	-74.3	179.6	-171.9	173.5	10.1	113.1	E52 Y54 Y58	E52-R56 VanDerWaalsContact O-CB 3.26Å; E52-R56 WeakPolarHBondContact O-CB 3.4Å; E52-R56 WeakPolarHBondContact O-CG 3.47Å; E52-R56 PolarHBondContact O-N 3.03Å; E52-R56 IonicContact OE2-NH2 3.61Å; Y54-R56 PolarHBondContact O-N 3.38Å; R56-Y58 VanDerWaalsContact C-N 3.33Å; R56-Y58 PolarHBondContact O-N 3.1Å
57	R	54.7	Low	63.1	Low	188 Å²	188	105.1 Å²	105.1	71%	0.709	50%	0.499	S	S	*	.	H	α-helix	trans	-62.3	-36.6	175	-92.9	-176.9	-175.7	137.2	1.8	113	A53 Y54 I55	A53-R57 WeakPolarHBondContact O-CB 3.26Å; A53-R57 PolarHBondContact O-N 3.12Å; Y54-R57 WeakPolarHBondContact O-CB 3.36Å; Y54-R57 PolarHBondContact O-N 3.41Å; I55-R57 VanDerWaalsContact C-N 3.32Å; I55-R57 PolarHBondContact O-N 2.89Å
58	Y	54.8	Low	64.2	Low	168 Å²	168	109.9 Å²	109.9	66%	0.659	52%	0.518	S	S	*	.	H	α-helix	trans	-99.2	-14.4	-177.2	-71.8	-79.2	0	0	0	114.3	Y54 I55 R56 M60	Y54-Y58 HydrophobicContact CD1-CD2 4.44Å; Y54-Y58 HydrophobicContact CD2-CD2 4.37Å; Y54-Y58 HydrophobicContact CD2-CE2 4.04Å; Y54-Y58 HydrophobicContact CE1-CD2 4.14Å; Y54-Y58 HydrophobicContact CE1-CE2 4.35Å; Y54-Y58 HydrophobicContact CE2-CD2 4.07Å; Y54-Y58 AromaticContact CE2-CE2 3.52Å; Y54-Y58 HydrophobicContact CE2-CE2 3.52Å; Y54-Y58 AromaticContact CZ-CD2 3.94Å; Y54-Y58 AromaticContact CZ-CE2 3.69Å; Y54-Y58 WeakPolarHBondContact O-CD2 3.1Å; Y54-Y58 PolarHBondContact O-N 3.38Å; I55-Y58 PolarHBondContact O-N 2.65Å; R56-Y58 VanDerWaalsContact C-N 3.33Å; R56-Y58 PolarHBondContact O-N 3.1Å; Y58-M60 PolarHBondContact O-N 3.28Å
59	N	58.5	Low	64.9	Low	122 Å²	122	112.9 Å²	112.9	65%	0.652	53%	0.526	S	S	*	.			trans	-84.1	58.3	176.1	-133.9	10	0	0	0	111.2	I55 E61	I55-N59 VanDerWaalsContact O-CB 3.3Å; I55-N59 WeakPolarHBondContact O-CB 3.46Å; I55-N59 PolarHBondContact O-N 2.71Å; N59-E61 PolarHBondContact O-N 3.23Å
60	M	65.9	Low	65.4	Low	87 Å²	87	108.9 Å²	108.9	43%	0.429	50%	0.504	S	S	.	.			trans	-67.4	112.2	172.2	-70	177.1	141.2	0	0	109.8	Y58 K69	Y58-M60 PolarHBondContact O-N 3.28Å; M60-K69 HydrophobicContact CB-CB 3.95Å; M60-K69 HydrophobicContact SD-CB 4.38Å
61	E	66.7	Low	66	Low	94 Å²	94	106.5 Å²	106.5	44%	0.439	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	151	169.3	-70	-178.2	-166.6	0	0	110	N59 A70 L72 K81	N59-E61 PolarHBondContact O-N 3.23Å; E61-A70 PolarHBondContact O-N 2.97Å; E61-A70 VanDerWaalsContact O-O 3.13Å; E61-L72 HydrophobicContact CB-CD1 3.44Å; E61-L72 VanDerWaalsContact CB-CD1 3.44Å; E61-L72 HydrophobicContact CB-CG 4.12Å; E61-K81 VanDerWaalsContact CD-NZ 3.25Å; E61-K81 IonicContact OE1-NZ 3.4Å; E61-K81 PolarHBondContact OE1-NZ 2.75Å; E61-K81 WeakPolarHBondContact OE2-CD 3.43Å; E61-K81 IonicContact OE2-NZ 3.62Å; E61-K81 PolarHBondContact OE2-NZ 3.06Å
62	R	73.6	Confident	66.8	Low	148 Å²	148	103.6 Å²	103.6	56%	0.558	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	128.6	175.2	-71.6	-178.6	179.3	-88.5	5.1	109.8	K64 N67 E68 K69	R62-K64 PolarHBondContact O-N 3.39Å; R62-N67 PolarHBondContact NH1-O 2.87Å; R62-E68 WeakPolarHBondContact CA-O 3.41Å; R62-K69 HydrophobicContact CG-CG 3.79Å
63	C	73.9	Confident	67.5	Low	0 Å²	0	104.2 Å²	104.2	0%	0	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-57	128.1	173.6	179.2	0	0	0	0	110.3	V65 C66 N67 E68 L72 C83	C63-V65 PolarHBondContact O-N 3.36Å; C63-V65 PolarHBondContact SG-N 3.26Å; C63-V65 VanDerWaalsContact SG-N 3.44Å; C63-C66 VanDerWaalsContact CB-SG 3.53Å; C63-N67 WeakPolarHBondContact O-CA 3.46Å; C63-N67 PolarHBondContact O-N 2.89Å; C63-E68 PolarHBondContact N-O 3.42Å; C63-L72 HydrophobicContact CB-CD2 3.72Å; C63-C83 HydrophobicContact CB-CB 4.16Å; C63-C83 PolarHBondContact SG-N 3.31Å
64	K	75.9	Confident	68.3	Low	170 Å²	170	108 Å²	108	74%	0.739	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-9.2	179.5	-68.2	-76.3	-176	176.3	0	114.1	R62	R62-K64 PolarHBondContact O-N 3.39Å
65	V	74.3	Confident	69	Low	99 Å²	99	102.5 Å²	102.5	60%	0.6	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-56.7	-177.5	-179.3	0	0	0	0	111.4	C63 I82 C86	C63-V65 PolarHBondContact O-N 3.36Å; C63-V65 PolarHBondContact SG-N 3.26Å; C63-V65 VanDerWaalsContact SG-N 3.44Å; V65-I82 HydrophobicContact CG2-CG2 3.68Å; V65-C86 HydrophobicContact CB-CB 4.33Å
66	C	79.8	Confident	69.7	Low	58 Å²	58	103.1 Å²	103.1	39%	0.392	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-4.6	-179.9	65.6	0	0	0	0	114.7	C63 E68	C63-C66 VanDerWaalsContact CB-SG 3.53Å; C66-E68 PolarHBondContact O-N 3.49Å; C66-E68 VanDerWaalsContact O-N 3.07Å; C66-E68 VanDerWaalsContact SG-CB 3.52Å
67	N	76.3	Confident	70.2	Confident	108 Å²	108	101 Å²	101	58%	0.578	50%	0.496	S	S	*	.			trans	60.6	7.8	-175.7	-100.4	-9.1	0	0	0	116.2	R62 C63	R62-N67 PolarHBondContact NH1-O 2.87Å; C63-N67 WeakPolarHBondContact O-CA 3.46Å; C63-N67 PolarHBondContact O-N 2.89Å
68	E	76.6	Confident	71	Confident	126 Å²	126	94 Å²	94	59%	0.589	48%	0.476	S	S	*	.			trans	-79.5	142.5	178.3	-157.6	156.4	-155.6	0	0	110.9	R62 C63 C66 A70	R62-E68 WeakPolarHBondContact CA-O 3.41Å; C63-E68 PolarHBondContact N-O 3.42Å; C66-E68 PolarHBondContact O-N 3.49Å; C66-E68 VanDerWaalsContact O-N 3.07Å; C66-E68 VanDerWaalsContact SG-CB 3.52Å; E68-A70 PolarHBondContact O-N 3.2Å
69	K	73.3	Confident	71.7	Confident	125 Å²	125	92.5 Å²	92.5	54%	0.543	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	114.3	177.5	-79.7	-171.5	177	-173.7	0	108.5	M60 R62	M60-K69 HydrophobicContact CB-CB 3.95Å; M60-K69 HydrophobicContact SD-CB 4.38Å; R62-K69 HydrophobicContact CG-CG 3.79Å
70	A	71	Confident	72.6	Confident	19 Å²	19	92.4 Å²	92.4	16%	0.157	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	169.6	179.8	0	0	0	0	0	110	E61 E68 L72 C83	E61-A70 PolarHBondContact O-N 2.97Å; E61-A70 VanDerWaalsContact O-O 3.13Å; E68-A70 PolarHBondContact O-N 3.2Å; A70-L72 PolarHBondContact O-N 3.27Å; A70-C83 HydrophobicContact CB-CB 3.6Å
71	V	70.9	Confident	73.1	Confident	100 Å²	100	91.5 Å²	91.5	61%	0.606	47%	0.466	S	S	*	.			trans	-69.5	120.3	164.7	-177.2	0	0	0	0	107	P84	V71-P84 WeakPolarHBondContact O-CD 3.48Å
72	L	72.9	Confident	73.8	Confident	29 Å²	29	87.2 Å²	87.2	15%	0.152	45%	0.446	C	S	.	.			trans	-97.7	136.8	-176	-56	-179.7	0	0	0	111	E61 C63 A70 K81 I82 C83	E61-L72 HydrophobicContact CB-CD1 3.44Å; E61-L72 VanDerWaalsContact CB-CD1 3.44Å; E61-L72 HydrophobicContact CB-CG 4.12Å; C63-L72 HydrophobicContact CB-CD2 3.72Å; A70-L72 PolarHBondContact O-N 3.27Å; L72-K81 HydrophobicContact CB-CB 3.88Å; L72-K81 HydrophobicContact CD1-CB 3.71Å; L72-K81 HydrophobicContact CD1-CD 4.4Å; L72-K81 HydrophobicContact CG-CB 4.41Å; L72-I82 WeakPolarHBondContact CA-O 3.44Å; L72-C83 HydrophobicContact CD2-CB 4.15Å
73	E	71.9	Confident	74.1	Confident	110 Å²	110	80.3 Å²	80.3	51%	0.514	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	150.2	169.9	-64.2	-163	169.5	0	0	110.8	K81 I82 L87	E73-K81 WeakPolarHBondContact O-CA 3.06Å; E73-I82 PolarHBondContact N-O 3.3Å; E73-I82 PolarHBondContact O-N 3.45Å; E73-L87 HydrophobicContact CB-CD2 4.43Å
74	H	72.9	Confident	74.4	Confident	124 Å²	124	83.4 Å²	83.4	57%	0.574	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	118.8	176.7	-69.8	85.6	0	0	0	109.6	A76 K81	H74-A76 PolarHBondContact O-N 3.15Å; H74-K81 WeakPolarHBondContact NE2-CE 3.5Å; H74-K81 VanDerWaalsContact NE2-CG 3.31Å; H74-K81 WeakPolarHBondContact NE2-CG 3.32Å
75	C	73.5	Confident	74.7	Confident	10 Å²	10	80.5 Å²	80.5	7%	0.068	43%	0.434	C	S	.	.			trans	-74.8	114.3	170	178.4	0	0	0	0	109.9	H77 C78 N79 K80 I82 L87 H90	C75-H77 PolarHBondContact O-N 2.72Å; C75-H77 VanDerWaalsContact O-N 3.11Å; C75-C78 PolarHBondContact O-N 3.14Å; C75-C78 VanDerWaalsContact SG-SG 3.66Å; C75-N79 WeakPolarHBondContact O-CA 3.21Å; C75-N79 PolarHBondContact O-N 2.95Å; C75-K80 PolarHBondContact N-O 2.81Å; C75-I82 HydrophobicContact CB-CD1 3.83Å; C75-I82 HydrophobicContact CB-CG1 4.3Å; C75-L87 HydrophobicContact CB-CD1 4.22Å; C75-H90 VanDerWaalsContact SG-CD2 3.54Å
76	A	71.4	Confident	75	Confident	101 Å²	101	76.6 Å²	76.6	84%	0.835	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.4	178.4	0	0	0	0	0	113.6	H74	H74-A76 PolarHBondContact O-N 3.15Å
77	H	66.3	Low	75.1	Confident	136 Å²	136	76.1 Å²	76.1	63%	0.63	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-35.6	179.3	168.5	-106.1	0	0	0	113.7	C75 H90 I94	C75-H77 PolarHBondContact O-N 2.72Å; C75-H77 VanDerWaalsContact O-N 3.11Å; H77-H90 AromaticContact ND1-NE2 3.24Å; H77-H90 PolarHBondContact ND1-NE2 3.11Å; H77-I94 HydrophobicContact CB-CD1 4.32Å
78	C	71.6	Confident	75.3	Confident	41 Å²	41	74.5 Å²	74.5	28%	0.277	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	5.3	-173.2	62.3	0	0	0	0	114.9	C75 K80	C75-C78 PolarHBondContact O-N 3.14Å; C75-C78 VanDerWaalsContact SG-SG 3.66Å; C78-K80 HydrophobicContact CB-CD 4.48Å; C78-K80 HydrophobicContact CB-CG 4.32Å; C78-K80 WeakPolarHBondContact O-CG 3.31Å; C78-K80 PolarHBondContact O-N 2.9Å
79	N	69.5	Low	75.6	Confident	136 Å²	136	73.4 Å²	73.4	73%	0.727	40%	0.396	S	S	*	.			trans	51.4	22.1	-175.3	-92.6	-3.9	0	0	0	114.3	C75	C75-N79 WeakPolarHBondContact O-CA 3.21Å; C75-N79 PolarHBondContact O-N 2.95Å
80	K	76.3	Confident	76	Confident	119 Å²	119	69.2 Å²	69.2	52%	0.517	38%	0.378	S	S	.	.			trans	-91.9	133.5	177.4	-64.7	-178.9	-175.7	179.7	0	110	C75 C78 I82	C75-K80 PolarHBondContact N-O 2.81Å; C78-K80 HydrophobicContact CB-CD 4.48Å; C78-K80 HydrophobicContact CB-CG 4.32Å; C78-K80 WeakPolarHBondContact O-CG 3.31Å; C78-K80 PolarHBondContact O-N 2.9Å; K80-I82 HydrophobicContact CB-CG2 4.2Å; K80-I82 PolarHBondContact O-N 2.96Å
81	K	76.7	Confident	76.5	Confident	68 Å²	68	70.3 Å²	70.3	30%	0.296	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	113.2	166.5	-68.2	-169.2	-171.3	-174.3	0	109.8	E61 L72 E73 H74	E61-K81 VanDerWaalsContact CD-NZ 3.25Å; E61-K81 IonicContact OE1-NZ 3.4Å; E61-K81 PolarHBondContact OE1-NZ 2.75Å; E61-K81 WeakPolarHBondContact OE2-CD 3.43Å; E61-K81 IonicContact OE2-NZ 3.62Å; E61-K81 PolarHBondContact OE2-NZ 3.06Å; L72-K81 HydrophobicContact CB-CB 3.88Å; L72-K81 HydrophobicContact CD1-CB 3.71Å; L72-K81 HydrophobicContact CD1-CD 4.4Å; L72-K81 HydrophobicContact CG-CB 4.41Å; E73-K81 WeakPolarHBondContact O-CA 3.06Å; H74-K81 WeakPolarHBondContact NE2-CE 3.5Å; H74-K81 VanDerWaalsContact NE2-CG 3.31Å; H74-K81 WeakPolarHBondContact NE2-CG 3.32Å
82	I	80.2	Confident	77.1	Confident	4 Å²	4	68.6 Å²	68.6	2%	0.021	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	150.4	-176.4	53.4	-179.9	0	0	0	110.9	V65 L72 E73 C75 K80 C86 L87 H90	V65-I82 HydrophobicContact CG2-CG2 3.68Å; L72-I82 WeakPolarHBondContact CA-O 3.44Å; E73-I82 PolarHBondContact N-O 3.3Å; E73-I82 PolarHBondContact O-N 3.45Å; C75-I82 HydrophobicContact CB-CD1 3.83Å; C75-I82 HydrophobicContact CB-CG1 4.3Å; K80-I82 HydrophobicContact CB-CG2 4.2Å; K80-I82 PolarHBondContact O-N 2.96Å; I82-C86 HydrophobicContact CB-CB 4.03Å; I82-C86 HydrophobicContact CG2-CB 4.5Å; I82-L87 HydrophobicContact CD1-CB 3.94Å; I82-L87 HydrophobicContact CD1-CD1 3.72Å; I82-L87 HydrophobicContact CD1-CG 4.45Å; I82-L87 HydrophobicContact CG1-CB 4.11Å; I82-L87 HydrophobicContact CG1-CD1 4.2Å; I82-H90 HydrophobicContact CD1-CB 4.24Å
83	C	81.3	Confident	77.6	Confident	4 Å²	4	71 Å²	71	3%	0.027	38%	0.384	C	S	.	.			trans	-72.4	162.7	175.6	67.1	0	0	0	0	110.4	C63 A70 L72 D85 C86 L87	C63-C83 HydrophobicContact CB-CB 4.16Å; C63-C83 PolarHBondContact SG-N 3.31Å; A70-C83 HydrophobicContact CB-CB 3.6Å; L72-C83 HydrophobicContact CD2-CB 4.15Å; C83-D85 VanDerWaalsContact C-N 3.25Å; C83-D85 PolarHBondContact O-N 2.94Å; C83-C86 PolarHBondContact O-N 3.44Å; C83-C86 PolarHBondContact SG-N 3.24Å; C83-C86 VanDerWaalsContact SG-N 3.43Å; C83-L87 PolarHBondContact O-N 2.88Å
84	P	79.5	Confident	78.3	Confident	65 Å²	65	68.3 Å²	68.3	42%	0.422	37%	0.372	S	S	.	.	H	α-helix	trans	-54	-39.4	-179.3	-27.5	35.6	0	0	0	113.5	V71 L87 T88	V71-P84 WeakPolarHBondContact O-CD 3.48Å; P84-L87 WeakPolarHBondContact O-CB 3.29Å; P84-L87 PolarHBondContact O-N 3.44Å; P84-T88 PolarHBondContact O-N 3.38Å; P84-T88 PolarHBondContact O-OG1 2.87Å
85	D	81.4	Confident	79	Confident	109 Å²	109	68.1 Å²	68.1	58%	0.583	37%	0.37	S	S	*	.	H	α-helix	trans	-69.5	-34.4	178.7	-58.6	-40.9	0	0	0	112.7	C83 T88 N89	C83-D85 VanDerWaalsContact C-N 3.25Å; C83-D85 PolarHBondContact O-N 2.94Å; D85-T88 WeakPolarHBondContact CA-OG1 3.43Å; D85-T88 PolarHBondContact O-OG1 3.28Å; D85-N89 WeakPolarHBondContact O-CB 3.49Å; D85-N89 PolarHBondContact O-N 3.27Å; D85-N89 PolarHBondContact O-ND2 3.45Å
86	C	82	Confident	79.6	Confident	17 Å²	17	73.9 Å²	73.9	12%	0.115	39%	0.39	C	S	.	.	H	α-helix	trans	-75.6	-30.8	173.5	-74.6	0	0	0	0	111.4	V65 I82 C83 H90	V65-C86 HydrophobicContact CB-CB 4.33Å; I82-C86 HydrophobicContact CB-CB 4.03Å; I82-C86 HydrophobicContact CG2-CB 4.5Å; C83-C86 PolarHBondContact O-N 3.44Å; C83-C86 PolarHBondContact SG-N 3.24Å; C83-C86 VanDerWaalsContact SG-N 3.43Å; C86-H90 WeakPolarHBondContact O-CB 3.26Å; C86-H90 PolarHBondContact O-N 3.16Å
87	L	80.9	Confident	80.3	Confident	48 Å²	48	72.2 Å²	72.2	25%	0.251	37%	0.367	S	S	.	.	H	α-helix	trans	-67.3	-44.6	175.8	-177.4	66.9	0	0	0	111.3	E73 C75 I82 C83 P84 H90 S91	E73-L87 HydrophobicContact CB-CD2 4.43Å; C75-L87 HydrophobicContact CB-CD1 4.22Å; I82-L87 HydrophobicContact CD1-CB 3.94Å; I82-L87 HydrophobicContact CD1-CD1 3.72Å; I82-L87 HydrophobicContact CD1-CG 4.45Å; I82-L87 HydrophobicContact CG1-CB 4.11Å; I82-L87 HydrophobicContact CG1-CD1 4.2Å; C83-L87 PolarHBondContact O-N 2.88Å; P84-L87 WeakPolarHBondContact O-CB 3.29Å; P84-L87 PolarHBondContact O-N 3.44Å; L87-H90 PolarHBondContact O-N 3.37Å; L87-S91 WeakPolarHBondContact O-CB 3.46Å; L87-S91 PolarHBondContact O-N 3.18Å
88	T	81.7	Confident	81.5	Confident	74 Å²	74	70.7 Å²	70.7	45%	0.454	36%	0.363	S	S	.	.	H	α-helix	trans	-60.7	-49.7	173.9	46.4	0	0	0	0	110.8	P84 D85 H90 S91 D92	P84-T88 PolarHBondContact O-N 3.38Å; P84-T88 PolarHBondContact O-OG1 2.87Å; D85-T88 WeakPolarHBondContact CA-OG1 3.43Å; D85-T88 PolarHBondContact O-OG1 3.28Å; T88-H90 VanDerWaalsContact C-N 3.29Å; T88-H90 PolarHBondContact O-N 3.46Å; T88-S91 PolarHBondContact O-N 3.28Å; T88-S91 VanDerWaalsContact O-N 3.14Å; T88-S91 PolarHBondContact O-OG 3.4Å; T88-D92 PolarHBondContact O-N 2.93Å
89	N	82.8	Confident	82.4	Confident	102 Å²	102	75.9 Å²	75.9	55%	0.545	38%	0.381	S	S	.	.	H	α-helix	trans	-58.2	-38.6	175.2	-79.3	-49.6	0	0	0	113.2	D85 D92 M93	D85-N89 WeakPolarHBondContact O-CB 3.49Å; D85-N89 PolarHBondContact O-N 3.27Å; D85-N89 PolarHBondContact O-ND2 3.45Å; N89-D92 PolarHBondContact O-N 3.4Å; N89-M93 PolarHBondContact O-N 3.08Å
90	H	81.1	Confident	83.4	Confident	37 Å²	37	77.2 Å²	77.2	17%	0.171	38%	0.376	C	S	.	.	H	α-helix	trans	-67.8	-44.1	176	-168.1	76.6	0	0	0	111.5	C75 H77 I82 C86 L87 T88 D92 M93 I94	C75-H90 VanDerWaalsContact SG-CD2 3.54Å; H77-H90 AromaticContact ND1-NE2 3.24Å; H77-H90 PolarHBondContact ND1-NE2 3.11Å; I82-H90 HydrophobicContact CD1-CB 4.24Å; C86-H90 WeakPolarHBondContact O-CB 3.26Å; C86-H90 PolarHBondContact O-N 3.16Å; L87-H90 PolarHBondContact O-N 3.37Å; T88-H90 VanDerWaalsContact C-N 3.29Å; T88-H90 PolarHBondContact O-N 3.46Å; H90-D92 VanDerWaalsContact C-N 3.26Å; H90-D92 PolarHBondContact O-N 2.9Å; H90-M93 WeakPolarHBondContact O-CB 3.27Å; H90-M93 PolarHBondContact O-N 3.3Å; H90-M93 VanDerWaalsContact O-N 3.16Å; H90-I94 WeakPolarHBondContact O-CG1 3.48Å; H90-I94 PolarHBondContact O-N 3.3Å
91	S	81.1	Confident	84	Confident	43 Å²	43	76.3 Å²	76.3	30%	0.301	38%	0.376	S	S	.	.	H	α-helix	trans	-60.6	-38.3	175.2	81.1	0	0	0	0	111.3	L87 T88 I94 K95	L87-S91 WeakPolarHBondContact O-CB 3.46Å; L87-S91 PolarHBondContact O-N 3.18Å; T88-S91 PolarHBondContact O-N 3.28Å; T88-S91 VanDerWaalsContact O-N 3.14Å; T88-S91 PolarHBondContact O-OG 3.4Å; S91-I94 PolarHBondContact O-N 2.97Å; S91-K95 WeakPolarHBondContact O-CG 3.15Å; S91-K95 PolarHBondContact O-N 2.79Å
92	D	85	Confident	84.7	Confident	64 Å²	64	77.5 Å²	77.5	34%	0.342	39%	0.385	S	S	.	.	H	α-helix	trans	-73.8	-28.8	177.8	-69.8	-24.3	0	0	0	112.4	T88 N89 H90 K95 R96	T88-D92 PolarHBondContact O-N 2.93Å; N89-D92 PolarHBondContact O-N 3.4Å; H90-D92 VanDerWaalsContact C-N 3.26Å; H90-D92 PolarHBondContact O-N 2.9Å; D92-K95 IonicContact OD1-NZ 3.73Å; D92-K95 PolarHBondContact OD1-NZ 3.08Å; D92-R96 WeakPolarHBondContact O-CB 3.46Å; D92-R96 WeakPolarHBondContact O-CG 3.4Å; D92-R96 PolarHBondContact O-N 2.99Å; D92-R96 PolarHBondContact O-NE 3.44Å
93	M	83.1	Confident	84.9	Confident	78 Å²	78	80.2 Å²	80.2	38%	0.384	40%	0.402	S	S	.	.	H	α-helix	trans	-65.4	-46.3	169.1	-168.5	172.5	70.2	0	0	111.1	N89 H90 K95 R96 D97	N89-M93 PolarHBondContact O-N 3.08Å; H90-M93 WeakPolarHBondContact O-CB 3.27Å; H90-M93 PolarHBondContact O-N 3.3Å; H90-M93 VanDerWaalsContact O-N 3.16Å; M93-K95 PolarHBondContact O-N 3.31Å; M93-R96 WeakPolarHBondContact O-CB 3.48Å; M93-R96 PolarHBondContact O-N 2.75Å; M93-R96 VanDerWaalsContact O-N 3.15Å; M93-D97 PolarHBondContact O-N 3.39Å
94	I	84.9	Confident	85	Confident	54 Å²	54	85.5 Å²	85.5	28%	0.277	43%	0.426	S	S	.	.	H	α-helix	trans	-60.9	-44.3	174.6	-65.1	169.5	0	0	0	110.5	H77 H90 S91 R96 D97 L98	H77-I94 HydrophobicContact CB-CD1 4.32Å; H90-I94 WeakPolarHBondContact O-CG1 3.48Å; H90-I94 PolarHBondContact O-N 3.3Å; S91-I94 PolarHBondContact O-N 2.97Å; I94-R96 VanDerWaalsContact C-N 3.3Å; I94-R96 PolarHBondContact O-N 3.08Å; I94-D97 PolarHBondContact O-N 2.48Å; I94-L98 HydrophobicContact CG2-CD1 3.93Å; I94-L98 HydrophobicContact CG2-CG 4.21Å; I94-L98 WeakPolarHBondContact O-CB 3.37Å; I94-L98 WeakPolarHBondContact O-CG 3.49Å; I94-L98 PolarHBondContact O-N 3.49Å
95	K	88.1	Confident	85.5	Confident	120 Å²	120	86.9 Å²	86.9	52%	0.522	43%	0.433	S	S	.	.	H	α-helix	trans	-59.3	-40.1	174.8	-71.9	173.9	-160.5	156.6	0	112.2	S91 D92 M93 K99	S91-K95 WeakPolarHBondContact O-CG 3.15Å; S91-K95 PolarHBondContact O-N 2.79Å; D92-K95 IonicContact OD1-NZ 3.73Å; D92-K95 PolarHBondContact OD1-NZ 3.08Å; M93-K95 PolarHBondContact O-N 3.31Å; K95-K99 VanDerWaalsContact O-CB 3.27Å; K95-K99 WeakPolarHBondContact O-CB 3.34Å; K95-K99 PolarHBondContact O-N 2.88Å
96	R	87.2	Confident	85.7	Confident	132 Å²	132	88.1 Å²	88.1	50%	0.498	43%	0.434	S	S	.	.	H	α-helix	trans	-65.3	-40.8	176	-81.3	-178.5	-79.8	118.1	-9.4	111.8	D92 M93 I94 K99 R100	D92-R96 WeakPolarHBondContact O-CB 3.46Å; D92-R96 WeakPolarHBondContact O-CG 3.4Å; D92-R96 PolarHBondContact O-N 2.99Å; D92-R96 PolarHBondContact O-NE 3.44Å; M93-R96 WeakPolarHBondContact O-CB 3.48Å; M93-R96 PolarHBondContact O-N 2.75Å; M93-R96 VanDerWaalsContact O-N 3.15Å; I94-R96 VanDerWaalsContact C-N 3.3Å; I94-R96 PolarHBondContact O-N 3.08Å; R96-K99 PolarHBondContact O-N 3.21Å; R96-R100 WeakPolarHBondContact O-CG 3.33Å; R96-R100 PolarHBondContact O-N 3.25Å
97	D	86.2	Confident	85.7	Confident	66 Å²	66	96.1 Å²	96.1	35%	0.353	46%	0.461	S	S	.	.	H	α-helix	trans	-70.9	-42	178	-69.9	-23.1	0	0	0	111.8	M93 I94 K99 R100 L101	M93-D97 PolarHBondContact O-N 3.39Å; I94-D97 PolarHBondContact O-N 2.48Å; D97-K99 VanDerWaalsContact C-N 3.29Å; D97-K99 PolarHBondContact O-N 3.05Å; D97-R100 WeakPolarHBondContact O-CB 3.45Å; D97-R100 PolarHBondContact O-N 3.02Å; D97-R100 VanDerWaalsContact O-N 3.13Å; D97-R100 IonicContact OD1-NH1 3.37Å; D97-R100 PolarHBondContact OD1-NH1 3.45Å; D97-L101 WeakPolarHBondContact O-CG 3.38Å; D97-L101 PolarHBondContact O-N 3.27Å
98	L	90.4	Very high	85.8	Confident	103 Å²	103	97.8 Å²	97.8	54%	0.539	47%	0.47	S	S	.	.	H	α-helix	trans	-59.3	-39.7	170.3	-73.5	175	0	0	0	111.7	I94 R100 L101 L102	I94-L98 HydrophobicContact CG2-CD1 3.93Å; I94-L98 HydrophobicContact CG2-CG 4.21Å; I94-L98 WeakPolarHBondContact O-CB 3.37Å; I94-L98 WeakPolarHBondContact O-CG 3.49Å; I94-L98 PolarHBondContact O-N 3.49Å; L98-R100 VanDerWaalsContact C-N 3.35Å; L98-R100 PolarHBondContact O-N 2.86Å; L98-L101 PolarHBondContact O-N 2.96Å; L98-L102 VanDerWaalsContact O-CB 3.28Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 PolarHBondContact O-N 2.67Å
99	K	91.4	Very high	86	Confident	150 Å²	150	97.1 Å²	97.1	65%	0.652	47%	0.468	S	S	*	.	H	α-helix	trans	-63.7	-40.1	175.4	-169.1	173.7	-175.8	175.9	0	111.5	K95 R96 D97 T103	K95-K99 VanDerWaalsContact O-CB 3.27Å; K95-K99 WeakPolarHBondContact O-CB 3.34Å; K95-K99 PolarHBondContact O-N 2.88Å; R96-K99 PolarHBondContact O-N 3.21Å; D97-K99 VanDerWaalsContact C-N 3.29Å; D97-K99 PolarHBondContact O-N 3.05Å; K99-T103 WeakPolarHBondContact O-CG2 3.39Å; K99-T103 PolarHBondContact O-N 3.05Å; K99-T103 PolarHBondContact O-OG1 3.43Å
100	R	89.3	Confident	86.1	Confident	165 Å²	165	95.5 Å²	95.5	62%	0.623	46%	0.464	S	S	*	.	H	α-helix	trans	-62.8	-49.1	173.6	-73.4	172.4	174.9	163.4	-7.6	111.1	R96 D97 L98 L102 T103 Q104	R96-R100 WeakPolarHBondContact O-CG 3.33Å; R96-R100 PolarHBondContact O-N 3.25Å; D97-R100 WeakPolarHBondContact O-CB 3.45Å; D97-R100 PolarHBondContact O-N 3.02Å; D97-R100 VanDerWaalsContact O-N 3.13Å; D97-R100 IonicContact OD1-NH1 3.37Å; D97-R100 PolarHBondContact OD1-NH1 3.45Å; L98-R100 VanDerWaalsContact C-N 3.35Å; L98-R100 PolarHBondContact O-N 2.86Å; R100-L102 PolarHBondContact O-N 2.89Å; R100-T103 PolarHBondContact O-N 3.48Å; R100-T103 PolarHBondContact O-OG1 3.43Å; R100-Q104 PolarHBondContact O-N 2.98Å
101	L	90	Very high	86.2	Confident	100 Å²	100	101 Å²	101	52%	0.524	48%	0.483	S	S	.	.	H	α-helix	trans	-59.1	-45.3	176.8	-70.1	172.7	0	0	0	111.7	D97 L98 T103 Q104 V105	D97-L101 WeakPolarHBondContact O-CG 3.38Å; D97-L101 PolarHBondContact O-N 3.27Å; L98-L101 PolarHBondContact O-N 2.96Å; L101-T103 VanDerWaalsContact C-N 3.33Å; L101-T103 PolarHBondContact O-N 3.44Å; L101-Q104 WeakPolarHBondContact O-CB 3.39Å; L101-Q104 PolarHBondContact O-N 3.18Å; L101-Q104 VanDerWaalsContact O-N 3.08Å; L101-V105 WeakPolarHBondContact O-CG2 3.08Å; L101-V105 PolarHBondContact O-N 3.36Å
102	L	90.3	Very high	86.3	Confident	93 Å²	93	103.8 Å²	103.8	49%	0.487	49%	0.494	S	S	.	.	H	α-helix	trans	-57.3	-44.4	176	180	64.8	0	0	0	111.8	L98 R100 Q104 V105 K106	L98-L102 VanDerWaalsContact O-CB 3.28Å; L98-L102 WeakPolarHBondContact O-CB 3.48Å; L98-L102 PolarHBondContact O-N 2.67Å; R100-L102 PolarHBondContact O-N 2.89Å; L102-Q104 VanDerWaalsContact C-N 3.3Å; L102-Q104 PolarHBondContact O-N 3.3Å; L102-V105 PolarHBondContact O-N 3.08Å; L102-K106 HydrophobicContact CD1-CD 4.48Å; L102-K106 HydrophobicContact CD1-CG 4.39Å; L102-K106 HydrophobicContact CG-CD 4.38Å; L102-K106 WeakPolarHBondContact O-CB 3.25Å; L102-K106 VanDerWaalsContact O-CG 3.32Å; L102-K106 WeakPolarHBondContact O-CG 3.33Å; L102-K106 PolarHBondContact O-N 3.4Å
103	T	85.8	Confident	86.3	Confident	61 Å²	61	104.4 Å²	104.4	37%	0.374	50%	0.5	S	S	.	.	H	α-helix	trans	-65.5	-34.7	177.1	59.6	0	0	0	0	112.6	K99 R100 L101 R107	K99-T103 WeakPolarHBondContact O-CG2 3.39Å; K99-T103 PolarHBondContact O-N 3.05Å; K99-T103 PolarHBondContact O-OG1 3.43Å; R100-T103 PolarHBondContact O-N 3.48Å; R100-T103 PolarHBondContact O-OG1 3.43Å; L101-T103 VanDerWaalsContact C-N 3.33Å; L101-T103 PolarHBondContact O-N 3.44Å; T103-R107 WeakPolarHBondContact O-CG 3.49Å; T103-R107 PolarHBondContact O-N 3.42Å
104	Q	83.2	Confident	86.4	Confident	114 Å²	114	104.3 Å²	104.3	53%	0.533	50%	0.501	S	S	.	.	H	α-helix	trans	-70.8	-44.6	177.5	-171.2	172.3	-14.3	0	0	111.3	R100 L101 L102 R107 I108	R100-Q104 PolarHBondContact O-N 2.98Å; L101-Q104 WeakPolarHBondContact O-CB 3.39Å; L101-Q104 PolarHBondContact O-N 3.18Å; L101-Q104 VanDerWaalsContact O-N 3.08Å; L102-Q104 VanDerWaalsContact C-N 3.3Å; L102-Q104 PolarHBondContact O-N 3.3Å; Q104-R107 PolarHBondContact O-N 2.98Å; Q104-I108 HydrophobicContact CG-CD1 4.08Å; Q104-I108 WeakPolarHBondContact O-CG1 3.45Å; Q104-I108 PolarHBondContact O-N 2.98Å; Q104-I108 VanDerWaalsContact O-N 3.07Å
105	V	89.3	Confident	86.6	Confident	94 Å²	94	109.9 Å²	109.9	57%	0.57	52%	0.518	S	S	*	.	H	α-helix	trans	-61.3	-46.3	175.3	172.5	0	0	0	0	110.8	L101 L102 R107 I108 S109	L101-V105 WeakPolarHBondContact O-CG2 3.08Å; L101-V105 PolarHBondContact O-N 3.36Å; L102-V105 PolarHBondContact O-N 3.08Å; V105-R107 VanDerWaalsContact C-N 3.33Å; V105-R107 PolarHBondContact O-N 3.36Å; V105-I108 PolarHBondContact O-N 3.15Å; V105-I108 VanDerWaalsContact O-N 3.16Å; V105-S109 WeakPolarHBondContact O-CB 3.36Å; V105-S109 PolarHBondContact O-N 3.33Å
106	K	86.6	Confident	86.4	Confident	136 Å²	136	107.7 Å²	107.7	59%	0.591	52%	0.519	S	S	*	.	H	α-helix	trans	-56.7	-45.1	177	-77.6	-175.9	176.3	-168.8	0	112.2	L102 I108 S109 C110	L102-K106 HydrophobicContact CD1-CD 4.48Å; L102-K106 HydrophobicContact CD1-CG 4.39Å; L102-K106 HydrophobicContact CG-CD 4.38Å; L102-K106 WeakPolarHBondContact O-CB 3.25Å; L102-K106 VanDerWaalsContact O-CG 3.32Å; L102-K106 WeakPolarHBondContact O-CG 3.33Å; L102-K106 PolarHBondContact O-N 3.4Å; K106-I108 PolarHBondContact O-N 2.74Å; K106-S109 PolarHBondContact O-N 3.39Å; K106-S109 PolarHBondContact O-OG 2.93Å; K106-C110 PolarHBondContact O-N 3.46Å
107	R	81.5	Confident	86.4	Confident	185 Å²	185	108.1 Å²	108.1	70%	0.698	53%	0.526	S	S	*	.	H	α-helix	trans	-63.3	-40.6	177.3	-74.2	-176.6	-143.2	165.1	5.6	112.9	T103 Q104 V105	T103-R107 WeakPolarHBondContact O-CG 3.49Å; T103-R107 PolarHBondContact O-N 3.42Å; Q104-R107 PolarHBondContact O-N 2.98Å; V105-R107 VanDerWaalsContact C-N 3.33Å; V105-R107 PolarHBondContact O-N 3.36Å
108	I	83.7	Confident	86.4	Confident	83 Å²	83	109.5 Å²	109.5	43%	0.426	54%	0.537	S	S	.	.	H	α-helix	trans	-75.3	-35.2	-178.5	-65.3	168.5	0	0	0	110.6	Q104 V105 K106 C110 R111	Q104-I108 HydrophobicContact CG-CD1 4.08Å; Q104-I108 WeakPolarHBondContact O-CG1 3.45Å; Q104-I108 PolarHBondContact O-N 2.98Å; Q104-I108 VanDerWaalsContact O-N 3.07Å; V105-I108 PolarHBondContact O-N 3.15Å; V105-I108 VanDerWaalsContact O-N 3.16Å; K106-I108 PolarHBondContact O-N 2.74Å; I108-C110 VanDerWaalsContact C-N 3.25Å; I108-C110 PolarHBondContact O-N 3.42Å; I108-R111 WeakPolarHBondContact O-CB 3.35Å; I108-R111 PolarHBondContact O-N 3Å
109	S	85.8	Confident	86.3	Confident	59 Å²	59	108.7 Å²	108.7	41%	0.413	54%	0.536	S	S	.	.	H	α-helix	trans	-60	-35	177.8	75.7	0	0	0	0	112.8	V105 K106 R111 I112 T113	V105-S109 WeakPolarHBondContact O-CB 3.36Å; V105-S109 PolarHBondContact O-N 3.33Å; K106-S109 PolarHBondContact O-N 3.39Å; K106-S109 PolarHBondContact O-OG 2.93Å; S109-R111 PolarHBondContact O-N 2.89Å; S109-I112 WeakPolarHBondContact O-CB 3.31Å; S109-I112 PolarHBondContact O-N 3.31Å; S109-T113 PolarHBondContact O-N 3.31Å
110	C	83.6	Confident	86.2	Confident	69 Å²	69	104.3 Å²	104.3	47%	0.466	52%	0.524	S	S	.	.	H	α-helix	trans	-63.8	-28.8	174.4	-165.2	0	0	0	0	112.5	K106 I108 I112 T113 D114	K106-C110 PolarHBondContact O-N 3.46Å; I108-C110 VanDerWaalsContact C-N 3.25Å; I108-C110 PolarHBondContact O-N 3.42Å; C110-I112 VanDerWaalsContact C-N 3.26Å; C110-I112 PolarHBondContact O-N 3.02Å; C110-T113 PolarHBondContact O-N 3.41Å; C110-T113 PolarHBondContact O-OG1 3.01Å; C110-D114 PolarHBondContact O-N 3.46Å
111	R	84	Confident	86.1	Confident	153 Å²	153	98.5 Å²	98.5	58%	0.577	52%	0.516	S	S	*	.	H	α-helix	trans	-70.5	-26.6	174.8	-65.5	-179.1	166.5	175	-5.5	112.3	I108 S109 D114 W115	I108-R111 WeakPolarHBondContact O-CB 3.35Å; I108-R111 PolarHBondContact O-N 3Å; S109-R111 PolarHBondContact O-N 2.89Å; R111-D114 PolarHBondContact O-N 2.95Å; R111-W115 WeakPolarHBondContact O-CB 3.37Å; R111-W115 PolarHBondContact O-N 2.84Å
112	I	83.7	Confident	85.9	Confident	101 Å²	101	96.7 Å²	96.7	52%	0.518	52%	0.516	S	S	.	.	H	α-helix	trans	-68.7	-39.7	177.2	-59.4	175.7	0	0	0	109.7	S109 C110 W115 S116	S109-I112 WeakPolarHBondContact O-CB 3.31Å; S109-I112 PolarHBondContact O-N 3.31Å; C110-I112 VanDerWaalsContact C-N 3.26Å; C110-I112 PolarHBondContact O-N 3.02Å; I112-W115 PolarHBondContact O-N 2.97Å; I112-S116 PolarHBondContact O-N 3.23Å
113	T	85	Confident	85.8	Confident	77 Å²	77	97.3 Å²	97.3	47%	0.472	52%	0.518	S	S	.	.	H	α-helix	trans	-65.6	-41.1	174	51.2	0	0	0	0	111.4	S109 C110 W115 S116 E117	S109-T113 PolarHBondContact O-N 3.31Å; C110-T113 PolarHBondContact O-N 3.41Å; C110-T113 PolarHBondContact O-OG1 3.01Å; T113-W115 VanDerWaalsContact C-N 3.32Å; T113-W115 PolarHBondContact O-N 3.29Å; T113-S116 WeakPolarHBondContact O-CB 3.32Å; T113-S116 PolarHBondContact O-N 3.46Å; T113-S116 VanDerWaalsContact O-N 3.11Å; T113-E117 PolarHBondContact O-N 3.45Å
114	D	84.7	Confident	86	Confident	76 Å²	76	99.7 Å²	99.7	41%	0.406	53%	0.528	S	S	.	.	H	α-helix	trans	-62.1	-40	175.1	-57.4	-16	0	0	0	111.8	C110 R111 E117 T118	C110-D114 PolarHBondContact O-N 3.46Å; R111-D114 PolarHBondContact O-N 2.95Å; D114-E117 PolarHBondContact O-N 2.87Å; D114-T118 WeakPolarHBondContact O-CB 3.26Å; D114-T118 PolarHBondContact O-N 3.41Å; D114-T118 PolarHBondContact O-OG1 3.18Å
115	W	88.3	Confident	86.1	Confident	170 Å²	170	95.7 Å²	95.7	64%	0.644	52%	0.518	S	S	*	.	H	α-helix	trans	-64.8	-39.1	173.8	-67.8	-16.1	0	0	0	111.9	R111 I112 T113 T118 V119	R111-W115 WeakPolarHBondContact O-CB 3.37Å; R111-W115 PolarHBondContact O-N 2.84Å; I112-W115 PolarHBondContact O-N 2.97Å; T113-W115 VanDerWaalsContact C-N 3.32Å; T113-W115 PolarHBondContact O-N 3.29Å; W115-T118 WeakPolarHBondContact O-CB 3.26Å; W115-T118 PolarHBondContact O-N 2.97Å; W115-V119 VanDerWaalsContact O-CG2 3.31Å; W115-V119 WeakPolarHBondContact O-CG2 3.38Å; W115-V119 PolarHBondContact O-N 3.11Å
116	S	83.9	Confident	85.9	Confident	75 Å²	75	96.7 Å²	96.7	52%	0.524	52%	0.52	S	S	.	.	H	α-helix	trans	-61.3	-43.4	174.8	-172.8	0	0	0	0	112.1	I112 T113 V119 S120	I112-S116 PolarHBondContact O-N 3.23Å; T113-S116 WeakPolarHBondContact O-CB 3.32Å; T113-S116 PolarHBondContact O-N 3.46Å; T113-S116 VanDerWaalsContact O-N 3.11Å; S116-V119 PolarHBondContact O-N 3.37Å; S116-S120 WeakPolarHBondContact O-CB 3.32Å; S116-S120 PolarHBondContact O-N 3.12Å; S116-S120 PolarHBondContact O-OG 3.24Å
117	E	87.2	Confident	86	Confident	141 Å²	141	93.1 Å²	93.1	66%	0.659	52%	0.515	S	S	*	.	H	α-helix	trans	-65	-40.6	174.1	-71.2	-177.6	-175.8	0	0	111.7	T113 D114 V119 S120 G121	T113-E117 PolarHBondContact O-N 3.45Å; D114-E117 PolarHBondContact O-N 2.87Å; E117-V119 PolarHBondContact O-N 2.85Å; E117-S120 WeakPolarHBondContact O-CB 3.29Å; E117-S120 PolarHBondContact O-N 3.04Å; E117-G121 PolarHBondContact O-N 3.3Å
118	T	87.1	Confident	86.5	Confident	95 Å²	95	89.3 Å²	89.3	58%	0.583	51%	0.512	S	S	*	.	H	α-helix	trans	-61.7	-44.3	176.6	-56.6	0	0	0	0	111.5	D114 W115 G121 A122	D114-T118 WeakPolarHBondContact O-CB 3.26Å; D114-T118 PolarHBondContact O-N 3.41Å; D114-T118 PolarHBondContact O-OG1 3.18Å; W115-T118 WeakPolarHBondContact O-CB 3.26Å; W115-T118 PolarHBondContact O-N 2.97Å; T118-G121 PolarHBondContact O-N 3.43Å; T118-A122 PolarHBondContact O-N 3.48Å
119	V	87.6	Confident	86.7	Confident	85 Å²	85	91.7 Å²	91.7	52%	0.515	52%	0.522	S	S	.	.	H	α-helix	trans	-64.9	-41.4	175.9	171.3	0	0	0	0	110.8	W115 S116 E117 G121 A122 I123	W115-V119 VanDerWaalsContact O-CG2 3.31Å; W115-V119 WeakPolarHBondContact O-CG2 3.38Å; W115-V119 PolarHBondContact O-N 3.11Å; S116-V119 PolarHBondContact O-N 3.37Å; E117-V119 PolarHBondContact O-N 2.85Å; V119-G121 VanDerWaalsContact C-N 3.32Å; V119-G121 PolarHBondContact O-N 3.01Å; V119-A122 WeakPolarHBondContact O-CB 3.39Å; V119-A122 PolarHBondContact O-N 2.81Å; V119-A122 VanDerWaalsContact O-N 3.12Å; V119-I123 HydrophobicContact CG1-CD1 4.11Å; V119-I123 WeakPolarHBondContact O-CG1 3.27Å; V119-I123 PolarHBondContact O-N 2.92Å
120	S	89.6	Confident	86.8	Confident	58 Å²	58	91 Å²	91	41%	0.406	52%	0.52	S	S	.	.	H	α-helix	trans	-61.4	-40.9	175.1	-58.6	0	0	0	0	111.9	S116 E117 I123 N124	S116-S120 WeakPolarHBondContact O-CB 3.32Å; S116-S120 PolarHBondContact O-N 3.12Å; S116-S120 PolarHBondContact O-OG 3.24Å; E117-S120 WeakPolarHBondContact O-CB 3.29Å; E117-S120 PolarHBondContact O-N 3.04Å; S120-I123 PolarHBondContact O-N 3.44Å; S120-N124 PolarHBondContact O-N 3.07Å; S120-N124 VanDerWaalsContact O-N 3.12Å; S120-N124 PolarHBondContact O-ND2 2.89Å
121	G	87.4	Confident	87.3	Confident	43 Å²	43	90.6 Å²	90.6	44%	0.443	52%	0.521	S	S	.	.	H	α-helix	trans	-62.1	-41	171.8	0	0	0	0	0	112.7	E117 T118 V119 N124 G125	E117-G121 PolarHBondContact O-N 3.3Å; T118-G121 PolarHBondContact O-N 3.43Å; V119-G121 VanDerWaalsContact C-N 3.32Å; V119-G121 PolarHBondContact O-N 3.01Å; G121-N124 PolarHBondContact O-N 2.77Å; G121-G125 PolarHBondContact O-N 2.87Å
122	A	85.8	Confident	87.7	Confident	63 Å²	63	86.3 Å²	86.3	52%	0.521	52%	0.515	S	S	.	.	H	α-helix	trans	-64.9	-39.4	176.6	0	0	0	0	0	112.4	T118 V119 G125 L126	T118-A122 PolarHBondContact O-N 3.48Å; V119-A122 WeakPolarHBondContact O-CB 3.39Å; V119-A122 PolarHBondContact O-N 2.81Å; V119-A122 VanDerWaalsContact O-N 3.12Å; A122-G125 PolarHBondContact O-N 2.84Å; A122-L126 WeakPolarHBondContact O-CB 3.41Å; A122-L126 PolarHBondContact O-N 3.02Å
123	I	88.1	Confident	87.9	Confident	106 Å²	106	83.5 Å²	83.5	54%	0.544	51%	0.507	S	S	.	.	H	α-helix	trans	-62	-47.4	174.9	-68.3	165.3	0	0	0	110.7	V119 S120 G125 L126 A127	V119-I123 HydrophobicContact CG1-CD1 4.11Å; V119-I123 WeakPolarHBondContact O-CG1 3.27Å; V119-I123 PolarHBondContact O-N 2.92Å; S120-I123 PolarHBondContact O-N 3.44Å; I123-G125 VanDerWaalsContact C-N 3.35Å; I123-G125 PolarHBondContact O-N 2.9Å; I123-L126 PolarHBondContact O-N 2.98Å; I123-A127 PolarHBondContact O-N 3.48Å
124	N	89.6	Confident	88.3	Confident	110 Å²	110	86.9 Å²	86.9	59%	0.588	52%	0.515	S	S	*	.	H	α-helix	trans	-63.5	-41.2	176.4	-72.1	-34.3	0	0	0	111.8	S120 G121 L126 A127 V128	S120-N124 PolarHBondContact O-N 3.07Å; S120-N124 VanDerWaalsContact O-N 3.12Å; S120-N124 PolarHBondContact O-ND2 2.89Å; G121-N124 PolarHBondContact O-N 2.77Å; N124-L126 PolarHBondContact O-N 3.4Å; N124-A127 PolarHBondContact O-N 3.34Å; N124-V128 WeakPolarHBondContact O-CG2 3.17Å; N124-V128 PolarHBondContact O-N 3.47Å
125	G	86.6	Confident	88.7	Confident	31 Å²	31	87.4 Å²	87.4	32%	0.32	52%	0.515	S	S	.	.	H	α-helix	trans	-59.5	-44.5	174.4	0	0	0	0	0	112.4	G121 A122 I123 A127 V128 Q129	G121-G125 PolarHBondContact O-N 2.87Å; A122-G125 PolarHBondContact O-N 2.84Å; I123-G125 VanDerWaalsContact C-N 3.35Å; I123-G125 PolarHBondContact O-N 2.9Å; G125-A127 VanDerWaalsContact C-N 3.34Å; G125-A127 PolarHBondContact O-N 3.2Å; G125-V128 PolarHBondContact O-N 3.45Å; G125-Q129 VanDerWaalsContact O-CG 3.29Å; G125-Q129 WeakPolarHBondContact O-CG 3.43Å; G125-Q129 PolarHBondContact O-N 2.96Å
126	L	85.1	Confident	88.8	Confident	115 Å²	115	84.5 Å²	84.5	60%	0.602	51%	0.509	S	S	*	.	H	α-helix	trans	-63	-39.6	176.1	-177.7	62.5	0	0	0	111.8	A122 I123 N124 Q129 A130	A122-L126 WeakPolarHBondContact O-CB 3.41Å; A122-L126 PolarHBondContact O-N 3.02Å; I123-L126 PolarHBondContact O-N 2.98Å; N124-L126 PolarHBondContact O-N 3.4Å; L126-Q129 PolarHBondContact O-N 2.97Å; L126-A130 WeakPolarHBondContact O-CB 3.39Å; L126-A130 PolarHBondContact O-N 3.22Å
127	A	87.6	Confident	89.2	Confident	60 Å²	60	84.5 Å²	84.5	50%	0.496	51%	0.505	S	S	.	.	H	α-helix	trans	-62.9	-42.5	176.2	0	0	0	0	0	112.2	I123 N124 G125 A130 A131	I123-A127 PolarHBondContact O-N 3.48Å; N124-A127 PolarHBondContact O-N 3.34Å; G125-A127 VanDerWaalsContact C-N 3.34Å; G125-A127 PolarHBondContact O-N 3.2Å; A127-A130 PolarHBondContact O-N 3.3Å; A127-A131 PolarHBondContact O-N 2.93Å
128	V	91.4	Very high	89.5	Confident	105 Å²	105	83.1 Å²	83.1	64%	0.636	50%	0.497	S	S	*	.	H	α-helix	trans	-65.8	-43.4	175.5	174.1	0	0	0	0	111.2	N124 G125 A130 A131 S132	N124-V128 WeakPolarHBondContact O-CG2 3.17Å; N124-V128 PolarHBondContact O-N 3.47Å; G125-V128 PolarHBondContact O-N 3.45Å; V128-A130 PolarHBondContact O-N 2.89Å; V128-A131 WeakPolarHBondContact O-CB 3.4Å; V128-A131 PolarHBondContact O-N 3.38Å; V128-S132 PolarHBondContact O-N 3.31Å
129	Q	88.4	Confident	89.8	Confident	133 Å²	133	81.4 Å²	81.4	62%	0.621	48%	0.482	S	S	*	.	H	α-helix	trans	-60.2	-45.1	175.7	-73.9	173.7	0.4	0	0	111.7	G125 L126 A131 S132 A133	G125-Q129 VanDerWaalsContact O-CG 3.29Å; G125-Q129 WeakPolarHBondContact O-CG 3.43Å; G125-Q129 PolarHBondContact O-N 2.96Å; L126-Q129 PolarHBondContact O-N 2.97Å; Q129-A131 VanDerWaalsContact C-N 3.3Å; Q129-A131 PolarHBondContact O-N 3.33Å; Q129-S132 PolarHBondContact O-N 3.07Å; Q129-A133 PolarHBondContact O-N 2.97Å
130	A	89	Confident	89.7	Confident	45 Å²	45	84.1 Å²	84.1	37%	0.372	48%	0.483	S	S	.	.	H	α-helix	trans	-62.7	-36.2	176.6	0	0	0	0	0	112.3	L126 A127 V128 K134	L126-A130 WeakPolarHBondContact O-CB 3.39Å; L126-A130 PolarHBondContact O-N 3.22Å; A127-A130 PolarHBondContact O-N 3.3Å; V128-A130 PolarHBondContact O-N 2.89Å; A130-K134 VanDerWaalsContact O-CG 3.3Å; A130-K134 WeakPolarHBondContact O-CG 3.46Å; A130-K134 PolarHBondContact O-N 3.47Å
131	A	92.4	Very high	89.7	Confident	60 Å²	60	85.8 Å²	85.8	50%	0.496	49%	0.486	S	S	.	.	H	α-helix	trans	-66.6	-43.2	174.3	0	0	0	0	0	112.1	A127 V128 Q129 K134 E135	A127-A131 PolarHBondContact O-N 2.93Å; V128-A131 WeakPolarHBondContact O-CB 3.4Å; V128-A131 PolarHBondContact O-N 3.38Å; Q129-A131 VanDerWaalsContact C-N 3.3Å; Q129-A131 PolarHBondContact O-N 3.33Å; A131-K134 PolarHBondContact O-N 3.3Å; A131-E135 PolarHBondContact O-N 3.37Å
132	S	92.5	Very high	90	Very high	64 Å²	64	89.8 Å²	89.8	45%	0.448	49%	0.488	S	S	.	.	H	α-helix	trans	-60.6	-49.6	175.7	-166.9	0	0	0	0	111.7	V128 Q129 K134 E135 E136	V128-S132 PolarHBondContact O-N 3.31Å; Q129-S132 PolarHBondContact O-N 3.07Å; S132-K134 VanDerWaalsContact C-N 3.28Å; S132-K134 PolarHBondContact O-N 3.23Å; S132-E135 PolarHBondContact O-N 2.86Å; S132-E136 PolarHBondContact O-N 2.93Å; S132-E136 PolarHBondContact OG-OE1 3.03Å
133	A	88.6	Confident	90.2	Very high	42 Å²	42	92.4 Å²	92.4	35%	0.347	48%	0.484	S	S	.	.	H	α-helix	trans	-58.4	-39	179.5	0	0	0	0	0	112.2	Q129 E135 E136 V137	Q129-A133 PolarHBondContact O-N 2.97Å; A133-E135 VanDerWaalsContact C-N 3.34Å; A133-E135 PolarHBondContact O-N 3.42Å; A133-E136 PolarHBondContact O-N 3.15Å; A133-V137 WeakPolarHBondContact O-CG2 3.34Å; A133-V137 PolarHBondContact O-N 3.28Å
134	K	92.9	Very high	90.2	Very high	147 Å²	147	90.5 Å²	90.5	64%	0.639	47%	0.474	S	S	*	.	H	α-helix	trans	-62.7	-38.6	175.2	-76.3	173.2	-178.4	178.2	0	112.7	A130 A131 S132 K138	A130-K134 VanDerWaalsContact O-CG 3.3Å; A130-K134 WeakPolarHBondContact O-CG 3.46Å; A130-K134 PolarHBondContact O-N 3.47Å; A131-K134 PolarHBondContact O-N 3.3Å; S132-K134 VanDerWaalsContact C-N 3.28Å; S132-K134 PolarHBondContact O-N 3.23Å; K134-K138 WeakPolarHBondContact O-CG 3.29Å; K134-K138 PolarHBondContact O-N 3.41Å
135	E	93.7	Very high	90.1	Very high	87 Å²	87	88.2 Å²	88.2	41%	0.407	47%	0.471	S	S	.	.	H	α-helix	trans	-75.2	-34.7	179.9	-162.3	55.4	-143.3	0	0	111.9	A131 S132 A133 K138 E139 R142	A131-E135 PolarHBondContact O-N 3.37Å; S132-E135 PolarHBondContact O-N 2.86Å; A133-E135 VanDerWaalsContact C-N 3.34Å; A133-E135 PolarHBondContact O-N 3.42Å; E135-K138 PolarHBondContact O-N 3.46Å; E135-K138 WeakPolarHBondContact OE2-CD 3.39Å; E135-K138 IonicContact OE2-NZ 3.54Å; E135-K138 PolarHBondContact OE2-NZ 2.98Å; E135-E139 WeakPolarHBondContact O-CB 3.36Å; E135-E139 PolarHBondContact O-N 2.92Å; E135-R142 IonicContact OE1-CZ 2.75Å; E135-R142 IonicContact OE1-NH1 3.15Å; E135-R142 IonicContact OE1-NH2 3.99Å; E135-R142 PolarHBondContact OE1-NH2 3.24Å
136	E	91	Very high	90.4	Very high	110 Å²	110	94.1 Å²	94.1	51%	0.514	49%	0.487	S	S	.	.	H	α-helix	trans	-60.2	-47.4	171.5	-72.1	173.5	-157	0	0	111.8	S132 A133 K138 E139 W140	S132-E136 PolarHBondContact O-N 2.93Å; S132-E136 PolarHBondContact OG-OE1 3.03Å; A133-E136 PolarHBondContact O-N 3.15Å; E136-K138 VanDerWaalsContact C-N 3.33Å; E136-K138 PolarHBondContact O-N 3.43Å; E136-E139 PolarHBondContact O-N 3.35Å; E136-W140 PolarHBondContact O-N 3.06Å
137	V	91.4	Very high	90.6	Very high	75 Å²	75	94.5 Å²	94.5	46%	0.455	49%	0.486	S	S	.	.	H	α-helix	trans	-56.1	-47.7	175.7	170.6	0	0	0	0	110.7	A133 E139 W140 M141	A133-V137 WeakPolarHBondContact O-CG2 3.34Å; A133-V137 PolarHBondContact O-N 3.28Å; V137-E139 VanDerWaalsContact C-N 3.34Å; V137-E139 PolarHBondContact O-N 2.98Å; V137-W140 PolarHBondContact O-N 3.06Å; V137-M141 VanDerWaalsContact O-CG 3.27Å; V137-M141 WeakPolarHBondContact O-CG 3.31Å; V137-M141 PolarHBondContact O-N 2.97Å
138	K	93.5	Very high	90.6	Very high	112 Å²	112	96 Å²	96	49%	0.487	49%	0.489	S	S	.	.	H	α-helix	trans	-60.9	-42.5	178.3	-71.6	173.8	-170.1	167.7	0	112.4	K134 E135 E136 M141 R142	K134-K138 WeakPolarHBondContact O-CG 3.29Å; K134-K138 PolarHBondContact O-N 3.41Å; E135-K138 PolarHBondContact O-N 3.46Å; E135-K138 WeakPolarHBondContact OE2-CD 3.39Å; E135-K138 IonicContact OE2-NZ 3.54Å; E135-K138 PolarHBondContact OE2-NZ 2.98Å; E136-K138 VanDerWaalsContact C-N 3.33Å; E136-K138 PolarHBondContact O-N 3.43Å; K138-M141 PolarHBondContact O-N 3.33Å; K138-R142 WeakPolarHBondContact O-CG 3.34Å; K138-R142 PolarHBondContact O-N 3.38Å
139	E	92.7	Very high	90.6	Very high	59 Å²	59	97 Å²	97	28%	0.276	49%	0.485	S	S	.	.	H	α-helix	trans	-66	-41.4	-179.9	175.5	59.3	-170.1	0	0	111.9	E135 E136 V137 M141 R142 R143	E135-E139 WeakPolarHBondContact O-CB 3.36Å; E135-E139 PolarHBondContact O-N 2.92Å; E136-E139 PolarHBondContact O-N 3.35Å; V137-E139 VanDerWaalsContact C-N 3.34Å; V137-E139 PolarHBondContact O-N 2.98Å; E139-M141 VanDerWaalsContact C-N 3.35Å; E139-M141 PolarHBondContact O-N 3.42Å; E139-R142 PolarHBondContact O-N 3.34Å; E139-R142 IonicContact OE2-CZ 3.81Å; E139-R142 IonicContact OE2-NH1 3.28Å; E139-R142 PolarHBondContact OE2-NH1 2.78Å; E139-R143 VanDerWaalsContact CG-CZ 3.45Å; E139-R143 VanDerWaalsContact CG-NH2 3.31Å; E139-R143 WeakPolarHBondContact O-CG 3.46Å; E139-R143 PolarHBondContact O-N 3.05Å; E139-R143 IonicContact OE1-CZ 2.73Å; E139-R143 IonicContact OE1-NE 3.64Å; E139-R143 PolarHBondContact OE1-NE 3.02Å; E139-R143 IonicContact OE1-NH2 3.76Å; E139-R143 PolarHBondContact OE1-NH2 3.32Å
140	W	87.4	Confident	90.8	Very high	141 Å²	141	96.5 Å²	96.5	53%	0.534	48%	0.481	S	S	.	.	H	α-helix	trans	-60.4	-43.7	173.4	-81.4	110.8	0	0	0	112.1	E136 V137 R142 R143 I144	E136-W140 PolarHBondContact O-N 3.06Å; V137-W140 PolarHBondContact O-N 3.06Å; W140-R142 PolarHBondContact O-N 3.33Å; W140-R143 PolarHBondContact O-N 3.1Å; W140-I144 WeakPolarHBondContact O-CG1 3.48Å; W140-I144 PolarHBondContact O-N 2.74Å
141	M	89.2	Confident	90.8	Very high	94 Å²	94	100.7 Å²	100.7	46%	0.463	49%	0.487	S	S	.	.	H	α-helix	trans	-62.1	-41.7	176.4	-65.3	-62.2	172.8	0	0	112	V137 K138 E139 R143 I144 A145 F253	V137-M141 VanDerWaalsContact O-CG 3.27Å; V137-M141 WeakPolarHBondContact O-CG 3.31Å; V137-M141 PolarHBondContact O-N 2.97Å; K138-M141 PolarHBondContact O-N 3.33Å; E139-M141 VanDerWaalsContact C-N 3.35Å; E139-M141 PolarHBondContact O-N 3.42Å; M141-R143 VanDerWaalsContact C-N 3.35Å; M141-R143 PolarHBondContact O-N 3.32Å; M141-I144 PolarHBondContact O-N 3.05Å; M141-A145 WeakPolarHBondContact O-CB 3.49Å; M141-A145 PolarHBondContact O-N 2.93Å; M141-F253 HydrophobicContact CE-CD1 3.74Å; M141-F253 HydrophobicContact CE-CE1 4.02Å; M141-F253 HydrophobicContact SD-CD1 4.34Å; M141-F253 HydrophobicContact SD-CE1 4.4Å
142	R	92.4	Very high	90.8	Very high	127 Å²	127	103.6 Å²	103.6	48%	0.479	49%	0.49	S	S	.	.	H	α-helix	trans	-61.1	-41.6	174	-72.5	-177.1	-140.5	118.4	1.7	112.2	E135 K138 E139 W140 A145 K146	E135-R142 IonicContact OE1-CZ 2.75Å; E135-R142 IonicContact OE1-NH1 3.15Å; E135-R142 IonicContact OE1-NH2 3.99Å; E135-R142 PolarHBondContact OE1-NH2 3.24Å; K138-R142 WeakPolarHBondContact O-CG 3.34Å; K138-R142 PolarHBondContact O-N 3.38Å; E139-R142 PolarHBondContact O-N 3.34Å; E139-R142 IonicContact OE2-CZ 3.81Å; E139-R142 IonicContact OE2-NH1 3.28Å; E139-R142 PolarHBondContact OE2-NH1 2.78Å; W140-R142 PolarHBondContact O-N 3.33Å; R142-A145 PolarHBondContact O-N 3.44Å; R142-K146 PolarHBondContact O-N 2.61Å
143	R	90.3	Very high	90.7	Very high	118 Å²	118	105.7 Å²	105.7	45%	0.445	49%	0.493	S	S	.	.	H	α-helix	trans	-64.2	-44.6	179.7	-73.8	175.4	-173.9	158.5	3.4	111.7	E139 W140 M141 K146 Q147	E139-R143 VanDerWaalsContact CG-CZ 3.45Å; E139-R143 VanDerWaalsContact CG-NH2 3.31Å; E139-R143 WeakPolarHBondContact O-CG 3.46Å; E139-R143 PolarHBondContact O-N 3.05Å; E139-R143 IonicContact OE1-CZ 2.73Å; E139-R143 IonicContact OE1-NE 3.64Å; E139-R143 PolarHBondContact OE1-NE 3.02Å; E139-R143 IonicContact OE1-NH2 3.76Å; E139-R143 PolarHBondContact OE1-NH2 3.32Å; W140-R143 PolarHBondContact O-N 3.1Å; M141-R143 VanDerWaalsContact C-N 3.35Å; M141-R143 PolarHBondContact O-N 3.32Å; R143-K146 WeakPolarHBondContact O-CB 3.41Å; R143-K146 PolarHBondContact O-N 3.23Å; R143-Q147 WeakPolarHBondContact O-CG 3.34Å; R143-Q147 PolarHBondContact O-N 3.1Å
144	I	87.9	Confident	90.7	Very high	65 Å²	65	106.5 Å²	106.5	33%	0.333	49%	0.493	S	S	.	.	H	α-helix	trans	-63.4	-47.1	177.7	-68.7	171.8	0	0	0	110.4	W140 M141 K146 Q147 V148 F253	W140-I144 WeakPolarHBondContact O-CG1 3.48Å; W140-I144 PolarHBondContact O-N 2.74Å; M141-I144 PolarHBondContact O-N 3.05Å; I144-K146 PolarHBondContact O-N 3.35Å; I144-Q147 PolarHBondContact O-N 3.31Å; I144-V148 HydrophobicContact CG2-CG2 4.34Å; I144-V148 WeakPolarHBondContact O-CG2 3.22Å; I144-V148 PolarHBondContact O-N 2.7Å; I144-F253 HydrophobicContact CD1-CD1 4.12Å; I144-F253 HydrophobicContact CD1-CD2 4.24Å; I144-F253 HydrophobicContact CD1-CE1 3.47Å; I144-F253 VanDerWaalsContact CD1-CE1 3.47Å; I144-F253 HydrophobicContact CD1-CE2 3.6Å; I144-F253 HydrophobicContact CD1-CG 4.48Å; I144-F253 HydrophobicContact CD1-CZ 3.2Å
145	A	89.1	Confident	90.4	Very high	62 Å²	62	101.7 Å²	101.7	51%	0.512	47%	0.474	S	S	.	.	H	α-helix	trans	-56	-40.2	176.4	0	0	0	0	0	112.2	M141 R142 V148 K149	M141-A145 WeakPolarHBondContact O-CB 3.49Å; M141-A145 PolarHBondContact O-N 2.93Å; R142-A145 PolarHBondContact O-N 3.44Å; A145-V148 PolarHBondContact O-N 2.91Å; A145-K149 WeakPolarHBondContact O-CB 3.34Å; A145-K149 PolarHBondContact O-N 3.23Å
146	K	91.5	Very high	90.2	Very high	155 Å²	155	102.6 Å²	102.6	67%	0.674	48%	0.48	S	S	*	.	H	α-helix	trans	-64.4	-40.2	175.4	-173	177.1	-178.3	176.3	0	112.8	R142 R143 I144 K150	R142-K146 PolarHBondContact O-N 2.61Å; R143-K146 WeakPolarHBondContact O-CB 3.41Å; R143-K146 PolarHBondContact O-N 3.23Å; I144-K146 PolarHBondContact O-N 3.35Å; K146-K150 WeakPolarHBondContact O-CB 3.01Å; K146-K150 PolarHBondContact O-N 3.32Å
147	Q	88.9	Confident	90	Very high	123 Å²	123	100 Å²	100	58%	0.575	48%	0.477	S	S	*	.	H	α-helix	trans	-68.4	-40.8	177.6	-65.7	-58.5	-23.4	0	0	112	R143 I144 K150 R151	R143-Q147 WeakPolarHBondContact O-CG 3.34Å; R143-Q147 PolarHBondContact O-N 3.1Å; I144-Q147 PolarHBondContact O-N 3.31Å; Q147-K150 PolarHBondContact O-N 3.02Å; Q147-R151 PolarHBondContact O-N 3.31Å
148	V	88.7	Confident	89.7	Confident	93 Å²	93	101.6 Å²	101.6	56%	0.564	48%	0.48	S	S	*	.	H	α-helix	trans	-60.7	-46.9	175	174.2	0	0	0	0	110.4	I144 A145 K150 R151 E152	I144-V148 HydrophobicContact CG2-CG2 4.34Å; I144-V148 WeakPolarHBondContact O-CG2 3.22Å; I144-V148 PolarHBondContact O-N 2.7Å; A145-V148 PolarHBondContact O-N 2.91Å; V148-K150 PolarHBondContact O-N 3.43Å; V148-R151 WeakPolarHBondContact O-CB 3.38Å; V148-R151 PolarHBondContact O-N 3.42Å; V148-R151 VanDerWaalsContact O-N 3.13Å; V148-E152 PolarHBondContact O-N 2.9Å
149	K	92.1	Very high	89.4	Confident	124 Å²	124	98.9 Å²	98.9	54%	0.539	47%	0.472	S	S	.	.	H	α-helix	trans	-61.2	-41.5	175.8	-173	176.2	179.6	179.2	0	112.6	A145 R151 E152 E153	A145-K149 WeakPolarHBondContact O-CB 3.34Å; A145-K149 PolarHBondContact O-N 3.23Å; K149-R151 VanDerWaalsContact C-N 3.3Å; K149-R151 PolarHBondContact O-N 3.16Å; K149-E152 WeakPolarHBondContact O-CB 3.48Å; K149-E152 PolarHBondContact O-N 3.06Å; K149-E153 WeakPolarHBondContact CE-OE1 3.47Å; K149-E153 WeakPolarHBondContact O-CG 3.42Å; K149-E153 PolarHBondContact O-N 3.39Å
150	K	91.6	Very high	89.2	Confident	124 Å²	124	100.9 Å²	100.9	54%	0.539	49%	0.485	S	S	.	.	H	α-helix	trans	-63.1	-37.8	175.3	-172.7	178.3	-179.9	-175.8	0	111.7	K146 Q147 V148 E153 V154	K146-K150 WeakPolarHBondContact O-CB 3.01Å; K146-K150 PolarHBondContact O-N 3.32Å; Q147-K150 PolarHBondContact O-N 3.02Å; V148-K150 PolarHBondContact O-N 3.43Å; K150-E153 PolarHBondContact O-N 3.46Å; K150-V154 WeakPolarHBondContact O-CG2 3.48Å; K150-V154 PolarHBondContact O-N 3.45Å
151	R	90	Very high	89.1	Confident	133 Å²	133	96.7 Å²	96.7	50%	0.502	48%	0.481	S	S	.	.	H	α-helix	trans	-66.1	-40.6	176.5	-179.7	55	178.8	150.7	-2.6	111.6	Q147 V148 K149 V154 L155 E158	Q147-R151 PolarHBondContact O-N 3.31Å; V148-R151 WeakPolarHBondContact O-CB 3.38Å; V148-R151 PolarHBondContact O-N 3.42Å; V148-R151 VanDerWaalsContact O-N 3.13Å; K149-R151 VanDerWaalsContact C-N 3.3Å; K149-R151 PolarHBondContact O-N 3.16Å; R151-V154 PolarHBondContact O-N 3.09Å; R151-L155 HydrophobicContact CG-CD1 4.3Å; R151-L155 WeakPolarHBondContact O-CG 3.43Å; R151-L155 PolarHBondContact O-N 2.99Å; R151-E158 IonicContact NH1-OE1 2.83Å
152	E	90.5	Very high	88.9	Confident	121 Å²	121	94 Å²	94	57%	0.565	47%	0.466	S	S	*	.	H	α-helix	trans	-56.6	-51.5	171	178.5	-171.8	178.9	0	0	111	V148 K149 V154 L155 M156	V148-E152 PolarHBondContact O-N 2.9Å; K149-E152 WeakPolarHBondContact O-CB 3.48Å; K149-E152 PolarHBondContact O-N 3.06Å; E152-V154 VanDerWaalsContact C-N 3.3Å; E152-V154 PolarHBondContact O-N 3.02Å; E152-L155 PolarHBondContact O-N 3.29Å; E152-L155 VanDerWaalsContact O-N 3.15Å; E152-M156 HydrophobicContact CG-CG 4.48Å; E152-M156 VanDerWaalsContact O-CG 3.29Å; E152-M156 WeakPolarHBondContact O-CG 3.47Å; E152-M156 PolarHBondContact O-N 3Å
153	E	91.9	Very high	88.6	Confident	108 Å²	108	90.5 Å²	90.5	51%	0.505	46%	0.461	S	S	.	.	H	α-helix	trans	-56.7	-41.1	178.1	-71.7	167.2	-173.9	0	0	112.7	K149 K150 M156 A157	K149-E153 WeakPolarHBondContact CE-OE1 3.47Å; K149-E153 WeakPolarHBondContact O-CG 3.42Å; K149-E153 PolarHBondContact O-N 3.39Å; K150-E153 PolarHBondContact O-N 3.46Å; E153-M156 PolarHBondContact O-N 3.04Å; E153-A157 WeakPolarHBondContact O-CB 3.39Å; E153-A157 PolarHBondContact O-N 3.46Å
154	V	88.5	Confident	88.4	Confident	58 Å²	58	88.8 Å²	88.8	35%	0.352	47%	0.467	S	S	.	.	H	α-helix	trans	-66.1	-44.8	177	171.4	0	0	0	0	111.6	K150 R151 E152 M156 A157 E158	K150-V154 WeakPolarHBondContact O-CG2 3.48Å; K150-V154 PolarHBondContact O-N 3.45Å; R151-V154 PolarHBondContact O-N 3.09Å; E152-V154 VanDerWaalsContact C-N 3.3Å; E152-V154 PolarHBondContact O-N 3.02Å; V154-M156 VanDerWaalsContact C-N 3.32Å; V154-M156 PolarHBondContact O-N 3.41Å; V154-A157 PolarHBondContact O-N 3.49Å; V154-E158 WeakPolarHBondContact O-CG 3.38Å; V154-E158 PolarHBondContact O-N 2.94Å
155	L	86.3	Confident	88.1	Confident	46 Å²	46	87.4 Å²	87.4	24%	0.241	46%	0.462	C	S	.	.	H	α-helix	trans	-63.7	-40	177.9	-74.7	171.6	0	0	0	111.6	R151 E152 E158 V159 F237	R151-L155 HydrophobicContact CG-CD1 4.3Å; R151-L155 WeakPolarHBondContact O-CG 3.43Å; R151-L155 PolarHBondContact O-N 2.99Å; E152-L155 PolarHBondContact O-N 3.29Å; E152-L155 VanDerWaalsContact O-N 3.15Å; L155-E158 PolarHBondContact O-N 3.05Å; L155-V159 WeakPolarHBondContact O-CG2 3.37Å; L155-V159 PolarHBondContact O-N 3.44Å; L155-F237 HydrophobicContact CD1-CE2 3.98Å
156	M	89.4	Confident	87.9	Confident	106 Å²	106	85 Å²	85	52%	0.522	44%	0.44	S	S	.	.	H	α-helix	trans	-62.3	-46.2	174.7	-68.9	-62.6	-66.1	0	0	111.2	E152 E153 V154 E158 V159 D160	E152-M156 HydrophobicContact CG-CG 4.48Å; E152-M156 VanDerWaalsContact O-CG 3.29Å; E152-M156 WeakPolarHBondContact O-CG 3.47Å; E152-M156 PolarHBondContact O-N 3Å; E153-M156 PolarHBondContact O-N 3.04Å; V154-M156 VanDerWaalsContact C-N 3.32Å; V154-M156 PolarHBondContact O-N 3.41Å; M156-E158 VanDerWaalsContact C-N 3.32Å; M156-E158 PolarHBondContact O-N 3.35Å; M156-V159 PolarHBondContact O-N 3.34Å; M156-V159 VanDerWaalsContact O-N 3.16Å; M156-D160 PolarHBondContact O-N 3.03Å
157	A	86.7	Confident	87.6	Confident	56 Å²	56	80.5 Å²	80.5	46%	0.463	43%	0.428	S	S	.	.	H	α-helix	trans	-62.7	-36.4	176.9	0	0	0	0	0	112.9	E153 V154 A161	E153-A157 WeakPolarHBondContact O-CB 3.39Å; E153-A157 PolarHBondContact O-N 3.46Å; V154-A157 PolarHBondContact O-N 3.49Å; A157-A161 VanDerWaalsContact O-CB 3.22Å; A157-A161 WeakPolarHBondContact O-CB 3.49Å; A157-A161 PolarHBondContact O-N 3.04Å
158	E	86.2	Confident	87.5	Confident	109 Å²	109	81.8 Å²	81.8	51%	0.509	43%	0.427	S	S	.	.	H	α-helix	trans	-63.3	-42.2	173.6	-75.8	172	-164.9	0	0	111.7	R151 V154 L155 M156 F162	R151-E158 IonicContact NH1-OE1 2.83Å; V154-E158 WeakPolarHBondContact O-CG 3.38Å; V154-E158 PolarHBondContact O-N 2.94Å; L155-E158 PolarHBondContact O-N 3.05Å; M156-E158 VanDerWaalsContact C-N 3.32Å; M156-E158 PolarHBondContact O-N 3.35Å; E158-F162 WeakPolarHBondContact O-CB 3.36Å; E158-F162 PolarHBondContact O-N 2.95Å
159	V	86.2	Confident	87.3	Confident	54 Å²	54	77.7 Å²	77.7	33%	0.327	40%	0.403	S	S	.	.	H	α-helix	trans	-64.2	-48.2	175.5	171.6	0	0	0	0	110.9	L155 M156 A161 F162 C163 F235	L155-V159 WeakPolarHBondContact O-CG2 3.37Å; L155-V159 PolarHBondContact O-N 3.44Å; M156-V159 PolarHBondContact O-N 3.34Å; M156-V159 VanDerWaalsContact O-N 3.16Å; V159-A161 VanDerWaalsContact C-N 3.34Å; V159-A161 PolarHBondContact O-N 3.41Å; V159-F162 PolarHBondContact O-N 2.79Å; V159-C163 PolarHBondContact O-N 2.9Å; V159-C163 PolarHBondContact O-SG 3.48Å; V159-F235 HydrophobicContact CG1-CE2 3.91Å; V159-F235 HydrophobicContact CG1-CZ 4.1Å
160	D	89.1	Confident	86.9	Confident	101 Å²	101	75.8 Å²	75.8	54%	0.54	40%	0.396	S	S	.	.	H	α-helix	trans	-62.4	-41.6	179.6	-70.8	-25.8	0	0	0	111.7	M156 C163 S164	M156-D160 PolarHBondContact O-N 3.03Å; D160-C163 PolarHBondContact O-N 3.19Å; D160-S164 WeakPolarHBondContact O-CB 3.44Å; D160-S164 PolarHBondContact O-N 3.29Å
161	A	83.8	Confident	86.6	Confident	54 Å²	54	72.2 Å²	72.2	45%	0.446	39%	0.385	S	S	.	.	H	α-helix	trans	-63.1	-41.9	176.2	0	0	0	0	0	111.9	A157 V159 T165	A157-A161 VanDerWaalsContact O-CB 3.22Å; A157-A161 WeakPolarHBondContact O-CB 3.49Å; A157-A161 PolarHBondContact O-N 3.04Å; V159-A161 VanDerWaalsContact C-N 3.34Å; V159-A161 PolarHBondContact O-N 3.41Å; A161-T165 WeakPolarHBondContact O-CB 3.46Å; A161-T165 PolarHBondContact O-N 3.36Å; A161-T165 PolarHBondContact O-OG1 3.49Å
162	F	85.2	Confident	86.4	Confident	36 Å²	36	68.3 Å²	68.3	16%	0.158	38%	0.378	C	S	.	.	H	α-helix	trans	-62.4	-50.8	175.2	179.8	-96.6	0	0	0	111.2	E158 V159 S164 T165 E166 K233 F235 A333	E158-F162 WeakPolarHBondContact O-CB 3.36Å; E158-F162 PolarHBondContact O-N 2.95Å; V159-F162 PolarHBondContact O-N 2.79Å; F162-S164 PolarHBondContact O-N 3.15Å; F162-T165 PolarHBondContact O-N 2.93Å; F162-E166 HydrophobicContact CD1-CG 4.26Å; F162-E166 HydrophobicContact CD2-CG 4.36Å; F162-E166 HydrophobicContact CE1-CG 3.85Å; F162-E166 HydrophobicContact CE2-CG 3.97Å; F162-E166 HydrophobicContact CG-CG 4.5Å; F162-E166 HydrophobicContact CZ-CG 3.7Å; F162-E166 WeakPolarHBondContact O-CB 3.29Å; F162-E166 WeakPolarHBondContact O-CG 3.22Å; F162-E166 PolarHBondContact O-N 3.3Å; F162-K233 HydrophobicContact CZ-CD 4.42Å; F162-F235 HydrophobicContact CE1-CD1 4.5Å; F162-A333 HydrophobicContact CD2-CB 4.04Å; F162-A333 HydrophobicContact CE2-CB 4.32Å; F162-A333 WeakPolarHBondContact CE2-O 3.41Å
163	C	85.7	Confident	86.1	Confident	54 Å²	54	62.9 Å²	62.9	37%	0.365	35%	0.353	S	S	.	.	H	α-helix	trans	-60.1	-44	178.9	-73	0	0	0	0	112.5	V159 D160 T165 S167	V159-C163 PolarHBondContact O-N 2.9Å; V159-C163 PolarHBondContact O-SG 3.48Å; D160-C163 PolarHBondContact O-N 3.19Å; C163-T165 VanDerWaalsContact C-N 3.33Å; C163-T165 PolarHBondContact O-N 3.03Å; C163-S167 WeakPolarHBondContact O-CB 3.49Å; C163-S167 PolarHBondContact O-N 3.27Å
164	S	86.2	Confident	85.9	Confident	82 Å²	82	64 Å²	64	57%	0.573	35%	0.353	S	S	*	.	H	α-helix	trans	-60.1	-44.4	176.8	179	0	0	0	0	111.7	D160 F162 R168	D160-S164 WeakPolarHBondContact O-CB 3.44Å; D160-S164 PolarHBondContact O-N 3.29Å; F162-S164 PolarHBondContact O-N 3.15Å; S164-R168 WeakPolarHBondContact O-CB 3.47Å; S164-R168 PolarHBondContact O-N 3.06Å
165	T	83.5	Confident	85.8	Confident	36 Å²	36	66.5 Å²	66.5	22%	0.221	36%	0.361	C	S	.	.	H	α-helix	trans	-70.6	-45.2	-177.2	-53.1	0	0	0	0	112	A161 F162 C163 R168 I169 H337	A161-T165 WeakPolarHBondContact O-CB 3.46Å; A161-T165 PolarHBondContact O-N 3.36Å; A161-T165 PolarHBondContact O-OG1 3.49Å; F162-T165 PolarHBondContact O-N 2.93Å; C163-T165 VanDerWaalsContact C-N 3.33Å; C163-T165 PolarHBondContact O-N 3.03Å; T165-R168 WeakPolarHBondContact O-CB 3.42Å; T165-R168 PolarHBondContact O-N 3.27Å; T165-I169 HydrophobicContact CG2-CD1 4.39Å; T165-I169 WeakPolarHBondContact O-CG1 3.48Å; T165-I169 PolarHBondContact O-N 3.4Å; T165-H337 WeakPolarHBondContact CG2-CE1 3.4Å; T165-H337 WeakPolarHBondContact CG2-ND1 3.41Å
166	E	84.7	Confident	85.8	Confident	11 Å²	11	66 Å²	66	5%	0.051	36%	0.359	C	S	.	.	H	α-helix	trans	-63.1	-41.5	175.4	-71.9	-63.9	141.3	0	0	111.8	F162 R168 I169 M170 K233 H337 S340	F162-E166 HydrophobicContact CD1-CG 4.26Å; F162-E166 HydrophobicContact CD2-CG 4.36Å; F162-E166 HydrophobicContact CE1-CG 3.85Å; F162-E166 HydrophobicContact CE2-CG 3.97Å; F162-E166 HydrophobicContact CG-CG 4.5Å; F162-E166 HydrophobicContact CZ-CG 3.7Å; F162-E166 WeakPolarHBondContact O-CB 3.29Å; F162-E166 WeakPolarHBondContact O-CG 3.22Å; F162-E166 PolarHBondContact O-N 3.3Å; E166-R168 VanDerWaalsContact C-N 3.33Å; E166-R168 PolarHBondContact O-N 3.49Å; E166-I169 PolarHBondContact O-N 3.41Å; E166-M170 HydrophobicContact CB-CE 4.46Å; E166-M170 WeakPolarHBondContact O-CG 3.39Å; E166-M170 PolarHBondContact O-N 3.08Å; E166-K233 IonicContact OE1-NZ 2.65Å; E166-K233 PolarHBondContact OE1-NZ 3.48Å; E166-K233 WeakPolarHBondContact OE2-CE 3.43Å; E166-K233 IonicContact OE2-NZ 3.61Å; E166-K233 PolarHBondContact OE2-NZ 3Å; E166-H337 IonicContact OE1-ND1 3.38Å; E166-S340 WeakPolarHBondContact OE1-CB 3.37Å; E166-S340 PolarHBondContact OE1-OG 2.64Å; E166-S340 WeakPolarHBondContact OE2-CB 3.4Å; E166-S340 PolarHBondContact OE2-OG 2.86Å
167	S	85.3	Confident	85.6	Confident	61 Å²	61	64.3 Å²	64.3	43%	0.427	35%	0.35	S	S	.	.	H	α-helix	trans	-61.3	-40.9	175.8	-176	0	0	0	0	112.2	C163 M170 T171	C163-S167 WeakPolarHBondContact O-CB 3.49Å; C163-S167 PolarHBondContact O-N 3.27Å; S167-M170 PolarHBondContact O-N 3.05Å; S167-T171 VanDerWaalsContact O-CB 3.31Å; S167-T171 WeakPolarHBondContact O-CB 3.38Å; S167-T171 PolarHBondContact O-N 3.47Å; S167-T171 PolarHBondContact O-OG1 3.42Å
168	R	86.5	Confident	85.7	Confident	150 Å²	150	65.8 Å²	65.8	57%	0.566	35%	0.347	S	S	*	.	H	α-helix	trans	-61.4	-45.2	174.8	-177.5	178.9	64.1	89.4	1.1	111.7	S164 T165 E166 T171 S172	S164-R168 WeakPolarHBondContact O-CB 3.47Å; S164-R168 PolarHBondContact O-N 3.06Å; T165-R168 WeakPolarHBondContact O-CB 3.42Å; T165-R168 PolarHBondContact O-N 3.27Å; E166-R168 VanDerWaalsContact C-N 3.33Å; E166-R168 PolarHBondContact O-N 3.49Å; R168-T171 PolarHBondContact O-N 3.48Å; R168-S172 PolarHBondContact O-N 3.44Å
169	I	84.4	Confident	85.7	Confident	8 Å²	8	65.9 Å²	65.9	4%	0.041	35%	0.35	C	S	.	.	H	α-helix	trans	-62.8	-50.8	178.3	-67.3	167.2	0	0	0	110.6	T165 E166 T171 S172 V173 S340 E341 C344	T165-I169 HydrophobicContact CG2-CD1 4.39Å; T165-I169 WeakPolarHBondContact O-CG1 3.48Å; T165-I169 PolarHBondContact O-N 3.4Å; E166-I169 PolarHBondContact O-N 3.41Å; I169-T171 VanDerWaalsContact C-N 3.26Å; I169-T171 PolarHBondContact O-N 2.95Å; I169-S172 WeakPolarHBondContact O-CB 3.37Å; I169-S172 PolarHBondContact O-N 2.99Å; I169-S172 VanDerWaalsContact O-N 3.15Å; I169-V173 WeakPolarHBondContact O-CG2 2.87Å; I169-V173 PolarHBondContact O-N 3.13Å; I169-S340 WeakPolarHBondContact CD1-OG 3.45Å; I169-E341 HydrophobicContact CD1-CG 3.66Å; I169-E341 HydrophobicContact CG1-CG 4.45Å; I169-C344 HydrophobicContact CG2-CB 3.64Å
170	M	82.6	Confident	85.5	Confident	83 Å²	83	63.8 Å²	63.8	41%	0.409	34%	0.337	S	S	.	.	H	α-helix	trans	-60.3	-37	178.3	-70.9	-172.5	-70.8	0	0	112.2	E166 S167 V173 R174	E166-M170 HydrophobicContact CB-CE 4.46Å; E166-M170 WeakPolarHBondContact O-CG 3.39Å; E166-M170 PolarHBondContact O-N 3.08Å; S167-M170 PolarHBondContact O-N 3.05Å; M170-V173 PolarHBondContact O-N 3.47Å; M170-R174 WeakPolarHBondContact O-CB 3.5Å; M170-R174 PolarHBondContact O-N 2.98Å
171	T	86.2	Confident	85.4	Confident	49 Å²	49	62.1 Å²	62.1	30%	0.301	33%	0.333	S	S	.	.	H	α-helix	trans	-66.1	-42.4	176	-58.9	0	0	0	0	111.7	S167 R168 I169 V173 R174 Q175	S167-T171 VanDerWaalsContact O-CB 3.31Å; S167-T171 WeakPolarHBondContact O-CB 3.38Å; S167-T171 PolarHBondContact O-N 3.47Å; S167-T171 PolarHBondContact O-OG1 3.42Å; R168-T171 PolarHBondContact O-N 3.48Å; I169-T171 VanDerWaalsContact C-N 3.26Å; I169-T171 PolarHBondContact O-N 2.95Å; T171-V173 VanDerWaalsContact C-N 3.35Å; T171-R174 PolarHBondContact O-N 3.28Å; T171-Q175 WeakPolarHBondContact O-CG 3.42Å; T171-Q175 PolarHBondContact O-N 3.03Å
172	S	85.7	Confident	85.6	Confident	51 Å²	51	63.4 Å²	63.4	36%	0.357	34%	0.338	S	S	.	.	H	α-helix	trans	-61	-44.6	176	-170.2	0	0	0	0	111.5	R168 I169 Q175 T176	R168-S172 PolarHBondContact O-N 3.44Å; I169-S172 WeakPolarHBondContact O-CB 3.37Å; I169-S172 PolarHBondContact O-N 2.99Å; I169-S172 VanDerWaalsContact O-N 3.15Å; S172-Q175 PolarHBondContact O-N 3.38Å; S172-T176 PolarHBondContact O-N 2.74Å; S172-T176 PolarHBondContact O-OG1 3.48Å
173	V	84.4	Confident	85.7	Confident	8 Å²	8	62.3 Å²	62.3	5%	0.048	33%	0.334	C	S	.	.	H	α-helix	trans	-63.5	-42.6	177.3	170.5	0	0	0	0	111.2	I169 M170 T171 Q175 T176 F177 M230 C344 V347	I169-V173 WeakPolarHBondContact O-CG2 2.87Å; I169-V173 PolarHBondContact O-N 3.13Å; M170-V173 PolarHBondContact O-N 3.47Å; T171-V173 VanDerWaalsContact C-N 3.35Å; V173-Q175 VanDerWaalsContact C-N 3.33Å; V173-Q175 PolarHBondContact O-N 2.92Å; V173-T176 WeakPolarHBondContact CA-OG1 3.34Å; V173-T176 PolarHBondContact O-N 3.22Å; V173-T176 PolarHBondContact O-OG1 3.39Å; V173-F177 HydrophobicContact CG1-CD2 3.87Å; V173-F177 HydrophobicContact CG1-CE2 3.42Å; V173-F177 VanDerWaalsContact CG1-CE2 3.42Å; V173-F177 HydrophobicContact CG1-CZ 4.09Å; V173-F177 WeakPolarHBondContact O-CD2 3.44Å; V173-F177 PolarHBondContact O-N 3.47Å; V173-M230 HydrophobicContact CB-CE 4.1Å; V173-M230 HydrophobicContact CG1-CE 3.74Å; V173-M230 HydrophobicContact CG2-CE 3.58Å; V173-C344 HydrophobicContact CG2-CB 3.9Å; V173-C344 VanDerWaalsContact CG2-SG 3.59Å; V173-V347 HydrophobicContact CG1-CG1 4.22Å
174	R	87.1	Confident	85.8	Confident	131 Å²	131	61.4 Å²	61.4	49%	0.494	33%	0.325	S	S	.	.	H	α-helix	trans	-58.8	-45.6	174.5	-177	178.4	66.9	108.6	-7.1	111.4	M170 T171 T176 F177 E178	M170-R174 WeakPolarHBondContact O-CB 3.5Å; M170-R174 PolarHBondContact O-N 2.98Å; T171-R174 PolarHBondContact O-N 3.28Å; R174-T176 VanDerWaalsContact C-N 3.32Å; R174-T176 PolarHBondContact O-N 2.94Å; R174-F177 PolarHBondContact O-N 3.36Å; R174-E178 HydrophobicContact CG-CG 4.35Å; R174-E178 WeakPolarHBondContact CG-OE1 3.17Å; R174-E178 IonicContact CZ-OE1 3.36Å; R174-E178 IonicContact NE-OE1 3.3Å; R174-E178 IonicContact NH1-OE1 3.59Å; R174-E178 PolarHBondContact NH1-OE1 3.02Å; R174-E178 IonicContact NH1-OE2 3.42Å; R174-E178 WeakPolarHBondContact O-CB 3.35Å; R174-E178 WeakPolarHBondContact O-CG 3.39Å; R174-E178 PolarHBondContact O-N 2.99Å
175	Q	87	Confident	85.9	Confident	111 Å²	111	60.8 Å²	60.8	52%	0.519	32%	0.32	S	S	.	.	H	α-helix	trans	-62	-38.8	177.6	-74	174.2	-18.3	0	0	112.2	T171 S172 V173 E178 L179	T171-Q175 WeakPolarHBondContact O-CG 3.42Å; T171-Q175 PolarHBondContact O-N 3.03Å; S172-Q175 PolarHBondContact O-N 3.38Å; V173-Q175 VanDerWaalsContact C-N 3.33Å; V173-Q175 PolarHBondContact O-N 2.92Å; Q175-E178 PolarHBondContact O-N 3.2Å; Q175-L179 WeakPolarHBondContact O-CB 3.43Å; Q175-L179 PolarHBondContact O-N 2.93Å
176	T	86.1	Confident	86.1	Confident	34 Å²	34	62.1 Å²	62.1	21%	0.209	32%	0.324	C	S	.	.	H	α-helix	trans	-64.4	-40	175.2	49.7	0	0	0	0	112.2	S172 V173 R174 E180	S172-T176 PolarHBondContact O-N 2.74Å; S172-T176 PolarHBondContact O-OG1 3.48Å; V173-T176 WeakPolarHBondContact CA-OG1 3.34Å; V173-T176 PolarHBondContact O-N 3.22Å; V173-T176 PolarHBondContact O-OG1 3.39Å; R174-T176 VanDerWaalsContact C-N 3.32Å; R174-T176 PolarHBondContact O-N 2.94Å; T176-E180 WeakPolarHBondContact O-CB 3.44Å; T176-E180 PolarHBondContact O-N 3.47Å; T176-E180 VanDerWaalsContact O-N 3.08Å
177	F	85.3	Confident	86.2	Confident	72 Å²	72	61.6 Å²	61.6	32%	0.316	32%	0.322	S	S	.	.	H	α-helix	trans	-69	-38.7	174.9	-69.2	-40.1	0	0	0	113	V173 R174 E180 S181 F223 P225 V347 M351	V173-F177 HydrophobicContact CG1-CD2 3.87Å; V173-F177 HydrophobicContact CG1-CE2 3.42Å; V173-F177 VanDerWaalsContact CG1-CE2 3.42Å; V173-F177 HydrophobicContact CG1-CZ 4.09Å; V173-F177 WeakPolarHBondContact O-CD2 3.44Å; V173-F177 PolarHBondContact O-N 3.47Å; R174-F177 PolarHBondContact O-N 3.36Å; F177-E180 PolarHBondContact O-N 3.08Å; F177-S181 VanDerWaalsContact O-CB 3.27Å; F177-S181 WeakPolarHBondContact O-CB 3.48Å; F177-S181 PolarHBondContact O-N 3.03Å; F177-F223 AromaticContact CE1-CE1 3.6Å; F177-F223 HydrophobicContact CE1-CE1 3.6Å; F177-F223 AromaticContact CE1-CZ 3.59Å; F177-F223 HydrophobicContact CE1-CZ 3.59Å; F177-F223 HydrophobicContact CZ-CE1 4.14Å; F177-F223 HydrophobicContact CZ-CZ 4.03Å; F177-P225 HydrophobicContact CZ-CB 4.27Å; F177-P225 HydrophobicContact CZ-CG 4.23Å; F177-V347 HydrophobicContact CD1-CG1 4.38Å; F177-V347 HydrophobicContact CE1-CG1 3.6Å; F177-V347 HydrophobicContact CE2-CG1 4.41Å; F177-V347 HydrophobicContact CZ-CG1 3.62Å; F177-V347 HydrophobicContact CZ-CG2 4.3Å; F177-M351 HydrophobicContact CD1-SD 4.08Å; F177-M351 HydrophobicContact CE1-CE 4.47Å; F177-M351 HydrophobicContact CE1-SD 4.29Å
178	E	88.5	Confident	86.4	Confident	87 Å²	87	61 Å²	61	41%	0.407	32%	0.317	S	S	.	.	H	α-helix	trans	-62.5	-44.4	175.6	-75.4	170.6	179.4	0	0	110.9	R174 Q175 S181 C182	R174-E178 HydrophobicContact CG-CG 4.35Å; R174-E178 WeakPolarHBondContact CG-OE1 3.17Å; R174-E178 IonicContact CZ-OE1 3.36Å; R174-E178 IonicContact NE-OE1 3.3Å; R174-E178 IonicContact NH1-OE1 3.59Å; R174-E178 PolarHBondContact NH1-OE1 3.02Å; R174-E178 IonicContact NH1-OE2 3.42Å; R174-E178 WeakPolarHBondContact O-CB 3.35Å; R174-E178 WeakPolarHBondContact O-CG 3.39Å; R174-E178 PolarHBondContact O-N 2.99Å; Q175-E178 PolarHBondContact O-N 3.2Å; E178-S181 PolarHBondContact O-N 3.4Å; E178-C182 PolarHBondContact O-N 2.99Å; E178-C182 PolarHBondContact O-SG 3.06Å
179	L	85.4	Confident	86.5	Confident	111 Å²	111	56.6 Å²	56.6	58%	0.581	31%	0.313	S	S	*	.	H	α-helix	trans	-63.2	-43	177.8	-168.7	123.7	0	0	0	111.7	Q175 C182 N183	Q175-L179 WeakPolarHBondContact O-CB 3.43Å; Q175-L179 PolarHBondContact O-N 2.93Å; L179-C182 WeakPolarHBondContact O-CB 3.44Å; L179-C182 PolarHBondContact O-N 3.41Å; L179-N183 VanDerWaalsContact O-CG 3.28Å; L179-N183 PolarHBondContact O-N 3.25Å; L179-N183 PolarHBondContact O-ND2 3.17Å
180	E	83.4	Confident	86.5	Confident	9 Å²	9	57.8 Å²	57.8	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-68.6	-39.5	178.3	-171.4	60.9	-169	0	0	112.7	T176 F177 C182 N183 I184 M351 S354 W356	T176-E180 WeakPolarHBondContact O-CB 3.44Å; T176-E180 PolarHBondContact O-N 3.47Å; T176-E180 VanDerWaalsContact O-N 3.08Å; F177-E180 PolarHBondContact O-N 3.08Å; E180-C182 VanDerWaalsContact C-N 3.28Å; E180-C182 PolarHBondContact O-N 3.46Å; E180-N183 PolarHBondContact O-N 3.27Å; E180-N183 PolarHBondContact OE2-ND2 3.29Å; E180-I184 HydrophobicContact CG-CD1 4.06Å; E180-I184 WeakPolarHBondContact O-CG1 3.33Å; E180-I184 PolarHBondContact O-N 2.96Å; E180-M351 HydrophobicContact CB-SD 3.7Å; E180-M351 HydrophobicContact CG-SD 3.61Å; E180-S354 WeakPolarHBondContact OE1-CB 3.49Å; E180-S354 PolarHBondContact OE1-OG 2.94Å; E180-W356 WeakPolarHBondContact OE1-CB 3.23Å
181	S	86.7	Confident	86.7	Confident	66 Å²	66	55.7 Å²	55.7	46%	0.462	31%	0.307	S	S	.	.	H	α-helix	trans	-58.9	-40.4	172	-175.9	0	0	0	0	111.8	F177 E178 S185	F177-S181 VanDerWaalsContact O-CB 3.27Å; F177-S181 WeakPolarHBondContact O-CB 3.48Å; F177-S181 PolarHBondContact O-N 3.03Å; E178-S181 PolarHBondContact O-N 3.4Å; S181-S185 WeakPolarHBondContact O-CB 3.43Å; S181-S185 PolarHBondContact O-N 3.46Å; S181-S185 PolarHBondContact O-OG 3.16Å
182	C	88.1	Confident	86.8	Confident	81 Å²	81	57.3 Å²	57.3	55%	0.547	31%	0.314	S	S	.	.	H	α-helix	trans	-63.2	-46.7	173.3	-72.5	0	0	0	0	111.9	E178 L179 E180 I184 S185 E186	E178-C182 PolarHBondContact O-N 2.99Å; E178-C182 PolarHBondContact O-SG 3.06Å; L179-C182 WeakPolarHBondContact O-CB 3.44Å; L179-C182 PolarHBondContact O-N 3.41Å; E180-C182 VanDerWaalsContact C-N 3.28Å; E180-C182 PolarHBondContact O-N 3.46Å; C182-I184 PolarHBondContact O-N 2.94Å; C182-S185 PolarHBondContact O-N 3.03Å; C182-E186 WeakPolarHBondContact O-CB 3.32Å; C182-E186 PolarHBondContact O-N 3.45Å
183	N	87	Confident	86.9	Confident	13 Å²	13	56.1 Å²	56.1	7%	0.07	31%	0.307	C	S	.	.	H	α-helix	trans	-58.2	-47.4	178.3	-66.9	-23.8	0	0	0	111.7	L179 E180 E186 A187 W356	L179-N183 VanDerWaalsContact O-CG 3.28Å; L179-N183 PolarHBondContact O-N 3.25Å; L179-N183 PolarHBondContact O-ND2 3.17Å; E180-N183 PolarHBondContact O-N 3.27Å; E180-N183 PolarHBondContact OE2-ND2 3.29Å; N183-E186 PolarHBondContact O-N 2.85Å; N183-A187 WeakPolarHBondContact O-CB 3.48Å; N183-A187 PolarHBondContact O-N 2.93Å; N183-W356 HydrophobicContact CB-CB 3.91Å
184	I	88	Confident	87	Confident	35 Å²	35	59.9 Å²	59.9	18%	0.179	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-46.9	177.8	-65.8	165.8	0	0	0	110.2	E180 C182 E186 A187 C188 L220 W356	E180-I184 HydrophobicContact CG-CD1 4.06Å; E180-I184 WeakPolarHBondContact O-CG1 3.33Å; E180-I184 PolarHBondContact O-N 2.96Å; C182-I184 PolarHBondContact O-N 2.94Å; I184-E186 VanDerWaalsContact C-N 3.33Å; I184-E186 PolarHBondContact O-N 3.13Å; I184-A187 PolarHBondContact O-N 3.4Å; I184-C188 WeakPolarHBondContact O-CB 3.48Å; I184-C188 PolarHBondContact O-N 3.14Å; I184-C188 PolarHBondContact O-SG 3.41Å; I184-L220 HydrophobicContact CD1-CD1 4.33Å; I184-L220 HydrophobicContact CD1-CD2 4.05Å; I184-W356 HydrophobicContact CG1-CB 4.32Å; I184-W356 HydrophobicContact CG1-CD2 3.98Å; I184-W356 HydrophobicContact CG1-CG 3.71Å
185	S	88.1	Confident	87	Confident	69 Å²	69	59.4 Å²	59.4	48%	0.483	33%	0.328	S	S	.	.	H	α-helix	trans	-61.5	-41.4	-179.3	-63	0	0	0	0	111.9	S181 C182 A189	S181-S185 WeakPolarHBondContact O-CB 3.43Å; S181-S185 PolarHBondContact O-N 3.46Å; S181-S185 PolarHBondContact O-OG 3.16Å; C182-S185 PolarHBondContact O-N 3.03Å; S185-A189 WeakPolarHBondContact O-CB 3.44Å; S185-A189 PolarHBondContact O-N 3.01Å
186	E	88.2	Confident	87	Confident	65 Å²	65	61.3 Å²	61.3	30%	0.304	33%	0.334	S	S	.	.	H	α-helix	trans	-67.5	-42.3	175.9	-176.7	169.3	171.1	0	0	111.9	C182 N183 I184 C188 A189 R190 V359 H360	C182-E186 WeakPolarHBondContact O-CB 3.32Å; C182-E186 PolarHBondContact O-N 3.45Å; N183-E186 PolarHBondContact O-N 2.85Å; I184-E186 VanDerWaalsContact C-N 3.33Å; I184-E186 PolarHBondContact O-N 3.13Å; E186-C188 VanDerWaalsContact C-N 3.34Å; E186-C188 PolarHBondContact O-N 3.05Å; E186-A189 PolarHBondContact O-N 2.93Å; E186-R190 HydrophobicContact CG-CG 4.37Å; E186-R190 WeakPolarHBondContact O-CB 3.32Å; E186-R190 VanDerWaalsContact O-CG 3.26Å; E186-R190 WeakPolarHBondContact O-CG 3.32Å; E186-R190 PolarHBondContact O-N 3.19Å; E186-R190 IonicContact OE1-CZ 3.18Å; E186-R190 IonicContact OE1-NE 3.12Å; E186-R190 PolarHBondContact OE1-NE 3.19Å; E186-R190 VanDerWaalsContact OE1-NE 3.12Å; E186-R190 IonicContact OE1-NH2 3.86Å; E186-R190 PolarHBondContact OE1-NH2 3.25Å; E186-V359 HydrophobicContact CG-CG1 4.42Å; E186-H360 VanDerWaalsContact CD-CE1 3.43Å; E186-H360 IonicContact OE1-CE1 3.41Å; E186-H360 PolarHBondContact OE1-CE1 3.23Å; E186-H360 IonicContact OE1-ND1 2.89Å; E186-H360 IonicContact OE2-CE1 2.84Å; E186-H360 PolarHBondContact OE2-CE1 3.41Å; E186-H360 IonicContact OE2-ND1 3.56Å; E186-H360 IonicContact OE2-NE2 2.82Å; E186-H360 PolarHBondContact OE2-NE2 3.33Å
187	A	86.5	Confident	86.9	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-60.7	-44.3	176	0	0	0	0	0	111.9	N183 I184 R190 L191 M212 F213 W356 V359	N183-A187 WeakPolarHBondContact O-CB 3.48Å; N183-A187 PolarHBondContact O-N 2.93Å; I184-A187 PolarHBondContact O-N 3.4Å; A187-R190 PolarHBondContact O-N 3Å; A187-L191 WeakPolarHBondContact O-CB 3.45Å; A187-L191 PolarHBondContact O-N 3.47Å; A187-M212 HydrophobicContact CB-CE 4.02Å; A187-F213 HydrophobicContact CB-CE2 4.15Å; A187-F213 HydrophobicContact CB-CZ 4.29Å; A187-W356 HydrophobicContact CB-CE3 3.48Å; A187-W356 VanDerWaalsContact CB-CE3 3.48Å; A187-W356 HydrophobicContact CB-CZ3 3.43Å; A187-W356 VanDerWaalsContact CB-CZ3 3.43Å; A187-V359 HydrophobicContact CB-CG1 4.1Å; A187-V359 HydrophobicContact CB-CG2 3.65Å
188	C	88.6	Confident	86.8	Confident	47 Å²	47	65.5 Å²	65.5	32%	0.318	37%	0.373	S	S	.	.	H	α-helix	trans	-60.7	-48.7	173.6	-71.3	0	0	0	0	111.5	I184 E186 R190 L191 D192	I184-C188 WeakPolarHBondContact O-CB 3.48Å; I184-C188 PolarHBondContact O-N 3.14Å; I184-C188 PolarHBondContact O-SG 3.41Å; E186-C188 VanDerWaalsContact C-N 3.34Å; E186-C188 PolarHBondContact O-N 3.05Å; C188-R190 VanDerWaalsContact C-N 3.32Å; C188-R190 PolarHBondContact O-N 3.13Å; C188-L191 PolarHBondContact O-N 3.02Å; C188-D192 WeakPolarHBondContact O-CB 3.44Å; C188-D192 PolarHBondContact O-N 3.18Å
189	A	88.8	Confident	86.4	Confident	59 Å²	59	66.9 Å²	66.9	49%	0.488	38%	0.375	S	S	.	.	H	α-helix	trans	-61.4	-39.2	179.6	0	0	0	0	0	112.6	S185 E186 A193	S185-A189 WeakPolarHBondContact O-CB 3.44Å; S185-A189 PolarHBondContact O-N 3.01Å; E186-A189 PolarHBondContact O-N 2.93Å; A189-A193 WeakPolarHBondContact O-CB 3.45Å; A189-A193 PolarHBondContact O-N 3.27Å
190	R	85.8	Confident	86.1	Confident	32 Å²	32	70.8 Å²	70.8	12%	0.121	39%	0.39	C	S	.	.	H	α-helix	trans	-66.7	-43.3	176.6	-72	179.4	-179.6	-170.6	2.3	112.1	E186 A187 C188 A193 Y194 Y209 V359	E186-R190 HydrophobicContact CG-CG 4.37Å; E186-R190 WeakPolarHBondContact O-CB 3.32Å; E186-R190 VanDerWaalsContact O-CG 3.26Å; E186-R190 WeakPolarHBondContact O-CG 3.32Å; E186-R190 PolarHBondContact O-N 3.19Å; E186-R190 IonicContact OE1-CZ 3.18Å; E186-R190 IonicContact OE1-NE 3.12Å; E186-R190 PolarHBondContact OE1-NE 3.19Å; E186-R190 VanDerWaalsContact OE1-NE 3.12Å; E186-R190 IonicContact OE1-NH2 3.86Å; E186-R190 PolarHBondContact OE1-NH2 3.25Å; A187-R190 PolarHBondContact O-N 3Å; C188-R190 VanDerWaalsContact C-N 3.32Å; C188-R190 PolarHBondContact O-N 3.13Å; R190-A193 PolarHBondContact O-N 3.04Å; R190-Y194 PolarHBondContact O-N 3.2Å; R190-Y209 HydrophobicContact CB-CE1 4.27Å; R190-Y209 WeakPolarHBondContact CD-OH 3.48Å; R190-Y209 PolarHBondContact NH1-OH 2.71Å; R190-V359 PolarHBondContact NH1-O 2.97Å
191	L	86.2	Confident	86	Confident	39 Å²	39	71.9 Å²	71.9	20%	0.204	40%	0.396	C	S	.	.	H	α-helix	trans	-67	-40.7	176.8	-175.5	63	0	0	0	111.4	A187 C188 A193 Y194 L195 M201 F213	A187-L191 WeakPolarHBondContact O-CB 3.45Å; A187-L191 PolarHBondContact O-N 3.47Å; C188-L191 PolarHBondContact O-N 3.02Å; L191-A193 PolarHBondContact O-N 3.46Å; L191-Y194 HydrophobicContact CD1-CD1 4.32Å; L191-Y194 WeakPolarHBondContact O-CB 3.41Å; L191-Y194 PolarHBondContact O-N 2.99Å; L191-L195 HydrophobicContact CG-CD1 4.2Å; L191-L195 WeakPolarHBondContact O-CG 3.31Å; L191-L195 PolarHBondContact O-N 3.29Å; L191-M201 HydrophobicContact CD1-CE 4.32Å; L191-F213 HydrophobicContact CB-CE2 4.35Å; L191-F213 HydrophobicContact CB-CZ 4.14Å; L191-F213 HydrophobicContact CD2-CD1 4.2Å; L191-F213 HydrophobicContact CD2-CD2 4.25Å; L191-F213 HydrophobicContact CD2-CE1 3.82Å; L191-F213 HydrophobicContact CD2-CE2 3.84Å; L191-F213 HydrophobicContact CD2-CG 4.41Å; L191-F213 HydrophobicContact CD2-CZ 3.61Å
192	D	87.7	Confident	85.9	Confident	83 Å²	83	72.2 Å²	72.2	44%	0.444	40%	0.395	S	S	.	.	H	α-helix	trans	-62.1	-41.6	176.1	-84.9	-15.2	0	0	0	112.2	C188 Y194 L195 K196	C188-D192 WeakPolarHBondContact O-CB 3.44Å; C188-D192 PolarHBondContact O-N 3.18Å; D192-Y194 VanDerWaalsContact C-N 3.32Å; D192-Y194 PolarHBondContact O-N 3.46Å; D192-L195 PolarHBondContact O-N 2.99Å; D192-K196 WeakPolarHBondContact O-CB 3.44Å; D192-K196 WeakPolarHBondContact O-CG 3.44Å; D192-K196 PolarHBondContact O-N 3.44Å
193	A	88.4	Confident	85.6	Confident	26 Å²	26	75.2 Å²	75.2	22%	0.215	41%	0.405	C	S	.	.	H	α-helix	trans	-62.1	-39.7	175.8	0	0	0	0	0	111.8	A189 R190 L191 G197 D198 R199	A189-A193 WeakPolarHBondContact O-CB 3.45Å; A189-A193 PolarHBondContact O-N 3.27Å; R190-A193 PolarHBondContact O-N 3.04Å; L191-A193 PolarHBondContact O-N 3.46Å; A193-G197 PolarHBondContact O-N 3.11Å; A193-D198 HydrophobicContact CB-CB 4.38Å; A193-D198 WeakPolarHBondContact O-CB 3.38Å; A193-D198 PolarHBondContact O-N 2.62Å; A193-R199 HydrophobicContact CB-CB 4.13Å; A193-R199 PolarHBondContact O-N 3.18Å
194	Y	86.5	Confident	85.5	Confident	88 Å²	88	81.8 Å²	81.8	35%	0.345	44%	0.435	S	S	.	.	H	α-helix	trans	-64.7	-46.1	173.5	168.7	-108.1	0	0	0	112.3	R190 L191 D192 K196 G197 R199 M201	R190-Y194 PolarHBondContact O-N 3.2Å; L191-Y194 HydrophobicContact CD1-CD1 4.32Å; L191-Y194 WeakPolarHBondContact O-CB 3.41Å; L191-Y194 PolarHBondContact O-N 2.99Å; D192-Y194 VanDerWaalsContact C-N 3.32Å; D192-Y194 PolarHBondContact O-N 3.46Å; Y194-K196 VanDerWaalsContact C-N 3.29Å; Y194-K196 PolarHBondContact O-N 3.03Å; Y194-G197 PolarHBondContact O-N 3.22Å; Y194-R199 WeakPolarHBondContact CA-O 3.2Å; Y194-R199 WeakPolarHBondContact CD2-O 3.37Å; Y194-M201 HydrophobicContact CD1-CE 3.55Å; Y194-M201 HydrophobicContact CD2-CB 3.44Å; Y194-M201 VanDerWaalsContact CD2-CB 3.44Å; Y194-M201 HydrophobicContact CD2-CE 4.16Å; Y194-M201 HydrophobicContact CE1-CE 3.91Å; Y194-M201 HydrophobicContact CE2-CB 3.72Å; Y194-M201 HydrophobicContact CE2-CE 4.48Å; Y194-M201 HydrophobicContact CG-CB 4.05Å; Y194-M201 HydrophobicContact CG-CE 3.68Å
195	L	86.7	Confident	85.3	Confident	121 Å²	121	81.7 Å²	81.7	63%	0.634	43%	0.434	S	S	*	.	H	α-helix	trans	-65	-30.5	-179.7	-69.9	173.8	0	0	0	113.2	L191 D192 G197	L191-L195 HydrophobicContact CG-CD1 4.2Å; L191-L195 WeakPolarHBondContact O-CG 3.31Å; L191-L195 PolarHBondContact O-N 3.29Å; D192-L195 PolarHBondContact O-N 2.99Å; L195-G197 VanDerWaalsContact C-N 3.28Å
196	K	88	Confident	85.1	Confident	151 Å²	151	79.4 Å²	79.4	66%	0.657	42%	0.419	S	S	*	.	H	α-helix	trans	-76.8	-13.4	173.4	-72.3	172.7	-175.3	168.8	0	113.5	D192 Y194 D198	D192-K196 WeakPolarHBondContact O-CB 3.44Å; D192-K196 WeakPolarHBondContact O-CG 3.44Å; D192-K196 PolarHBondContact O-N 3.44Å; Y194-K196 VanDerWaalsContact C-N 3.29Å; Y194-K196 PolarHBondContact O-N 3.03Å; K196-D198 VanDerWaalsContact C-N 3.33Å
197	G	83.3	Confident	85	Confident	63 Å²	63	80.6 Å²	80.6	65%	0.649	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	10.3	-172.9	0	0	0	0	0	114.1	A193 Y194 L195 R199	A193-G197 PolarHBondContact O-N 3.11Å; Y194-G197 PolarHBondContact O-N 3.22Å; L195-G197 VanDerWaalsContact C-N 3.28Å; G197-R199 VanDerWaalsContact C-N 3.25Å; G197-R199 PolarHBondContact O-N 2.87Å
198	D	83.2	Confident	85	Confident	130 Å²	130	85.2 Å²	85.2	70%	0.695	45%	0.452	S	S	*	.	S	Bend	trans	-74.7	-18.8	177	-64.5	-36.3	0	0	0	112	A193 K196	A193-D198 HydrophobicContact CB-CB 4.38Å; A193-D198 WeakPolarHBondContact O-CB 3.38Å; A193-D198 PolarHBondContact O-N 2.62Å; K196-D198 VanDerWaalsContact C-N 3.33Å
199	R	79.5	Confident	84.9	Confident	117 Å²	117	83.3 Å²	83.3	44%	0.442	44%	0.438	S	S	.	.	S	Bend	trans	-139	133.2	-178.2	-171.1	174.3	-178.2	169.2	1.8	111	A193 Y194 G197	A193-R199 HydrophobicContact CB-CB 4.13Å; A193-R199 PolarHBondContact O-N 3.18Å; Y194-R199 WeakPolarHBondContact CA-O 3.2Å; Y194-R199 WeakPolarHBondContact CD2-O 3.37Å; G197-R199 VanDerWaalsContact C-N 3.25Å; G197-R199 PolarHBondContact O-N 2.87Å
200	E	79.5	Confident	84.9	Confident	192 Å²	192	87.4 Å²	87.4	90%	0.897	45%	0.445	S	S	*	.			trans	-82.3	138.8	169.1	-66.9	-174.8	167.1	0	0	110.3
201	M	81.3	Confident	85	Confident	33 Å²	33	90.4 Å²	90.4	16%	0.163	46%	0.461	C	S	.	.			trans	-134.9	136.4	177.9	-171.4	161.3	60.2	0	0	108.3	L191 Y194 E205 A206 Y209	L191-M201 HydrophobicContact CD1-CE 4.32Å; Y194-M201 HydrophobicContact CD1-CE 3.55Å; Y194-M201 HydrophobicContact CD2-CB 3.44Å; Y194-M201 VanDerWaalsContact CD2-CB 3.44Å; Y194-M201 HydrophobicContact CD2-CE 4.16Å; Y194-M201 HydrophobicContact CE1-CE 3.91Å; Y194-M201 HydrophobicContact CE2-CB 3.72Å; Y194-M201 HydrophobicContact CE2-CE 4.48Å; Y194-M201 HydrophobicContact CG-CB 4.05Å; Y194-M201 HydrophobicContact CG-CE 3.68Å; M201-E205 HydrophobicContact CG-CB 3.27Å; M201-E205 HydrophobicContact CG-CG 4.24Å; M201-E205 WeakPolarHBondContact CG-OE2 3.44Å; M201-E205 HydrophobicContact SD-CB 3.75Å; M201-A206 HydrophobicContact CE-CB 3.82Å; M201-Y209 HydrophobicContact CE-CD2 4.39Å; M201-Y209 HydrophobicContact SD-CD2 3.62Å; M201-Y209 HydrophobicContact SD-CE2 3.84Å; M201-Y209 HydrophobicContact SD-CG 4.29Å
202	T	84.9	Confident	85.1	Confident	72 Å²	72	88.9 Å²	88.9	44%	0.442	45%	0.452	S	S	.	.			trans	-67.2	157	176.6	61.6	0	0	0	0	110.6	E204 E205 A206	T202-E204 PolarHBondContact O-N 3.34Å; T202-E205 PolarHBondContact N-OE2 2.74Å; T202-E205 PolarHBondContact O-N 3.42Å; T202-E205 WeakPolarHBondContact OG1-CB 3.27Å; T202-E205 WeakPolarHBondContact OG1-CG 3.33Å; T202-E205 PolarHBondContact OG1-N 3.31Å; T202-E205 PolarHBondContact OG1-OE2 3.11Å; T202-A206 PolarHBondContact O-N 2.91Å
203	L	82.4	Confident	85.2	Confident	145 Å²	145	87.4 Å²	87.4	76%	0.759	44%	0.442	S	S	*	.	H	α-helix	trans	-59.3	-35.8	177.4	-176.4	64.6	0	0	0	111.7	A206 V207	L203-A206 PolarHBondContact O-N 3.4Å; L203-V207 VanDerWaalsContact O-CG2 3.31Å; L203-V207 WeakPolarHBondContact O-CG2 3.47Å; L203-V207 PolarHBondContact O-N 2.96Å
204	E	84.4	Confident	85.2	Confident	150 Å²	150	90.7 Å²	90.7	70%	0.701	46%	0.456	S	S	*	.	H	α-helix	trans	-64.6	-46.7	177.4	-67.2	-175.6	177.3	0	0	111.8	T202 A206 V207 H208	T202-E204 PolarHBondContact O-N 3.34Å; E204-A206 PolarHBondContact O-N 3.02Å; E204-V207 PolarHBondContact O-N 3.24Å; E204-H208 WeakPolarHBondContact O-CB 3.41Å; E204-H208 PolarHBondContact O-N 2.88Å
205	E	83.3	Confident	85.3	Confident	33 Å²	33	90.7 Å²	90.7	15%	0.154	46%	0.459	C	S	.	.	H	α-helix	trans	-60.2	-45.6	173.6	-71.8	168.2	133	0	0	111	M201 T202 V207 H208 Y209 I362 L366	M201-E205 HydrophobicContact CG-CB 3.27Å; M201-E205 HydrophobicContact CG-CG 4.24Å; M201-E205 WeakPolarHBondContact CG-OE2 3.44Å; M201-E205 HydrophobicContact SD-CB 3.75Å; T202-E205 PolarHBondContact N-OE2 2.74Å; T202-E205 PolarHBondContact O-N 3.42Å; T202-E205 WeakPolarHBondContact OG1-CB 3.27Å; T202-E205 WeakPolarHBondContact OG1-CG 3.33Å; T202-E205 PolarHBondContact OG1-N 3.31Å; T202-E205 PolarHBondContact OG1-OE2 3.11Å; E205-V207 VanDerWaalsContact C-N 3.34Å; E205-V207 PolarHBondContact O-N 3.31Å; E205-H208 WeakPolarHBondContact O-CB 3.27Å; E205-H208 PolarHBondContact O-N 3.3Å; E205-H208 VanDerWaalsContact O-N 3.12Å; E205-Y209 VanDerWaalsContact O-CD2 3.3Å; E205-Y209 WeakPolarHBondContact O-CD2 3.13Å; E205-Y209 PolarHBondContact O-N 2.85Å; E205-I362 HydrophobicContact CG-CG2 4.11Å; E205-L366 HydrophobicContact CG-CD1 3.13Å; E205-L366 WeakPolarHBondContact OE1-CD1 3.42Å
206	A	84.1	Confident	85.3	Confident	21 Å²	21	85 Å²	85	17%	0.174	43%	0.429	C	S	.	.	H	α-helix	trans	-60.5	-40.9	-179.8	0	0	0	0	0	112.9	M201 T202 L203 E204 K210	M201-A206 HydrophobicContact CE-CB 3.82Å; T202-A206 PolarHBondContact O-N 2.91Å; L203-A206 PolarHBondContact O-N 3.4Å; E204-A206 PolarHBondContact O-N 3.02Å; A206-K210 WeakPolarHBondContact O-CB 3.48Å; A206-K210 PolarHBondContact O-N 2.97Å
207	V	86.5	Confident	85.2	Confident	91 Å²	91	81.4 Å²	81.4	55%	0.552	42%	0.417	S	S	*	.	H	α-helix	trans	-65.9	-41.4	174.9	171.7	0	0	0	0	110.9	L203 E204 E205 K210 Q211	L203-V207 VanDerWaalsContact O-CG2 3.31Å; L203-V207 WeakPolarHBondContact O-CG2 3.47Å; L203-V207 PolarHBondContact O-N 2.96Å; E204-V207 PolarHBondContact O-N 3.24Å; E205-V207 VanDerWaalsContact C-N 3.34Å; E205-V207 PolarHBondContact O-N 3.31Å; V207-K210 WeakPolarHBondContact O-CB 3.35Å; V207-K210 PolarHBondContact O-N 3.25Å; V207-Q211 PolarHBondContact O-N 2.71Å
208	H	86.1	Confident	85.3	Confident	96 Å²	96	85.1 Å²	85.1	44%	0.444	42%	0.417	S	S	.	.	H	α-helix	trans	-64.6	-45.1	177.2	-175.2	79	0	0	0	112.1	E204 E205 K210 Q211 M212 I362	E204-H208 WeakPolarHBondContact O-CB 3.41Å; E204-H208 PolarHBondContact O-N 2.88Å; E205-H208 WeakPolarHBondContact O-CB 3.27Å; E205-H208 PolarHBondContact O-N 3.3Å; E205-H208 VanDerWaalsContact O-N 3.12Å; H208-K210 VanDerWaalsContact C-N 3.32Å; H208-K210 PolarHBondContact O-N 2.8Å; H208-Q211 PolarHBondContact O-N 2.76Å; H208-M212 WeakPolarHBondContact O-CB 3.5Å; H208-M212 PolarHBondContact O-N 3.31Å; H208-I362 WeakPolarHBondContact CD2-CD1 3.48Å
209	Y	87.5	Confident	85.4	Confident	7 Å²	7	80.4 Å²	80.4	3%	0.027	39%	0.391	C	S	.	.	H	α-helix	trans	-59.1	-42.6	173.1	-90	-95.4	0	0	0	111.3	R190 M201 E205 Q211 M212 F213 I362	R190-Y209 HydrophobicContact CB-CE1 4.27Å; R190-Y209 WeakPolarHBondContact CD-OH 3.48Å; R190-Y209 PolarHBondContact NH1-OH 2.71Å; M201-Y209 HydrophobicContact CE-CD2 4.39Å; M201-Y209 HydrophobicContact SD-CD2 3.62Å; M201-Y209 HydrophobicContact SD-CE2 3.84Å; M201-Y209 HydrophobicContact SD-CG 4.29Å; E205-Y209 VanDerWaalsContact O-CD2 3.3Å; E205-Y209 WeakPolarHBondContact O-CD2 3.13Å; E205-Y209 PolarHBondContact O-N 2.85Å; Y209-Q211 VanDerWaalsContact C-N 3.33Å; Y209-Q211 PolarHBondContact O-N 2.91Å; Y209-M212 HydrophobicContact CD1-CE 3.47Å; Y209-M212 VanDerWaalsContact CD1-CE 3.47Å; Y209-M212 HydrophobicContact CE1-CE 3.7Å; Y209-M212 HydrophobicContact CG-CE 4.12Å; Y209-M212 PolarHBondContact O-N 3.46Å; Y209-F213 HydrophobicContact CD1-CD2 4.46Å; Y209-F213 AromaticContact CD1-CE2 3.95Å; Y209-F213 HydrophobicContact CD1-CE2 3.95Å; Y209-F213 WeakPolarHBondContact O-CB 3.43Å; Y209-F213 WeakPolarHBondContact O-CD2 3.41Å; Y209-F213 PolarHBondContact O-N 3.27Å; Y209-I362 HydrophobicContact CD2-CD1 4.3Å; Y209-I362 HydrophobicContact CE2-CD1 3.83Å; Y209-I362 HydrophobicContact CE2-CG2 3.96Å
210	K	87.4	Confident	85.6	Confident	145 Å²	145	78.9 Å²	78.9	63%	0.63	39%	0.391	S	S	*	.	H	α-helix	trans	-58.3	-45.2	175.4	-179.7	-176.4	174.7	-175.1	0	111.9	A206 V207 H208 F213 L214	A206-K210 WeakPolarHBondContact O-CB 3.48Å; A206-K210 PolarHBondContact O-N 2.97Å; V207-K210 WeakPolarHBondContact O-CB 3.35Å; V207-K210 PolarHBondContact O-N 3.25Å; H208-K210 VanDerWaalsContact C-N 3.32Å; H208-K210 PolarHBondContact O-N 2.8Å; K210-F213 PolarHBondContact O-N 2.66Å; K210-L214 HydrophobicContact CG-CD1 4.28Å; K210-L214 WeakPolarHBondContact O-CG 3.42Å; K210-L214 PolarHBondContact O-N 3.28Å; K210-L214 VanDerWaalsContact O-N 3.09Å
211	Q	87.9	Confident	85.9	Confident	96 Å²	96	79.2 Å²	79.2	45%	0.449	38%	0.384	S	S	.	.	H	α-helix	trans	-65.2	-46.6	178.7	-172.5	62.2	23.3	0	0	111.3	V207 H208 Y209 F213 L214 E215	V207-Q211 PolarHBondContact O-N 2.71Å; H208-Q211 PolarHBondContact O-N 2.76Å; Y209-Q211 VanDerWaalsContact C-N 3.33Å; Y209-Q211 PolarHBondContact O-N 2.91Å; Q211-F213 VanDerWaalsContact C-N 3.32Å; Q211-F213 PolarHBondContact O-N 2.81Å; Q211-L214 PolarHBondContact O-N 3.42Å; Q211-L214 VanDerWaalsContact O-N 3.13Å; Q211-E215 WeakPolarHBondContact CG-OE1 3.25Å; Q211-E215 PolarHBondContact NE2-OE1 3.25Å; Q211-E215 PolarHBondContact O-N 3.2Å
212	M	87.8	Confident	85.9	Confident	6 Å²	6	81.8 Å²	81.8	3%	0.03	41%	0.405	C	S	.	.	H	α-helix	trans	-57.5	-42.1	177	-176.8	-177.3	63.8	0	0	112.2	A187 H208 Y209 G216 P355 W356 V359 I362	A187-M212 HydrophobicContact CB-CE 4.02Å; H208-M212 WeakPolarHBondContact O-CB 3.5Å; H208-M212 PolarHBondContact O-N 3.31Å; Y209-M212 HydrophobicContact CD1-CE 3.47Å; Y209-M212 VanDerWaalsContact CD1-CE 3.47Å; Y209-M212 HydrophobicContact CE1-CE 3.7Å; Y209-M212 HydrophobicContact CG-CE 4.12Å; Y209-M212 PolarHBondContact O-N 3.46Å; M212-G216 WeakPolarHBondContact O-CA 3.34Å; M212-G216 PolarHBondContact O-N 3.39Å; M212-P355 HydrophobicContact CG-CB 4.12Å; M212-W356 HydrophobicContact CE-CE3 3.84Å; M212-W356 HydrophobicContact CE-CZ3 3.73Å; M212-W356 HydrophobicContact CG-CE3 3.95Å; M212-W356 HydrophobicContact CG-CZ3 4.19Å; M212-W356 HydrophobicContact SD-CE3 3.94Å; M212-W356 HydrophobicContact SD-CZ3 4.36Å; M212-V359 HydrophobicContact CE-CG2 3.87Å; M212-V359 HydrophobicContact SD-CG2 3.51Å; M212-V359 VanDerWaalsContact SD-CG2 3.51Å; M212-I362 HydrophobicContact CE-CD1 4.49Å; M212-I362 HydrophobicContact SD-CD1 4.23Å
213	F	90.1	Very high	85.8	Confident	53 Å²	53	81 Å²	81	23%	0.232	40%	0.396	C	S	.	.	H	α-helix	trans	-69.3	-35.1	176.7	-89.1	-108	0	0	0	113	A187 L191 Y209 K210 Q211 L217 W356	A187-F213 HydrophobicContact CB-CE2 4.15Å; A187-F213 HydrophobicContact CB-CZ 4.29Å; L191-F213 HydrophobicContact CB-CE2 4.35Å; L191-F213 HydrophobicContact CB-CZ 4.14Å; L191-F213 HydrophobicContact CD2-CD1 4.2Å; L191-F213 HydrophobicContact CD2-CD2 4.25Å; L191-F213 HydrophobicContact CD2-CE1 3.82Å; L191-F213 HydrophobicContact CD2-CE2 3.84Å; L191-F213 HydrophobicContact CD2-CG 4.41Å; L191-F213 HydrophobicContact CD2-CZ 3.61Å; Y209-F213 HydrophobicContact CD1-CD2 4.46Å; Y209-F213 AromaticContact CD1-CE2 3.95Å; Y209-F213 HydrophobicContact CD1-CE2 3.95Å; Y209-F213 WeakPolarHBondContact O-CB 3.43Å; Y209-F213 WeakPolarHBondContact O-CD2 3.41Å; Y209-F213 PolarHBondContact O-N 3.27Å; K210-F213 PolarHBondContact O-N 2.66Å; Q211-F213 VanDerWaalsContact C-N 3.32Å; Q211-F213 PolarHBondContact O-N 2.81Å; F213-L217 VanDerWaalsContact O-CB 3.26Å; F213-L217 WeakPolarHBondContact O-CB 3.27Å; F213-L217 PolarHBondContact O-N 2.8Å; F213-W356 HydrophobicContact CB-CH2 4.16Å; F213-W356 AromaticContact CD1-CH2 3.59Å; F213-W356 HydrophobicContact CD1-CH2 3.59Å; F213-W356 HydrophobicContact CD1-CZ3 4.31Å; F213-W356 AromaticContact CD2-CH2 3.52Å; F213-W356 HydrophobicContact CD2-CH2 3.52Å; F213-W356 AromaticContact CD2-CZ3 3.5Å; F213-W356 HydrophobicContact CD2-CZ3 3.5Å; F213-W356 AromaticContact CE1-CH2 3.73Å; F213-W356 HydrophobicContact CE1-CH2 3.73Å; F213-W356 HydrophobicContact CE1-CZ3 4.18Å; F213-W356 AromaticContact CE2-CH2 3.7Å; F213-W356 HydrophobicContact CE2-CH2 3.7Å; F213-W356 AromaticContact CE2-CZ3 3.39Å; F213-W356 HydrophobicContact CE2-CZ3 3.39Å; F213-W356 AromaticContact CG-CH2 3.48Å; F213-W356 HydrophobicContact CG-CH2 3.48Å; F213-W356 VanDerWaalsContact CG-CH2 3.48Å; F213-W356 AromaticContact CG-CZ3 4Å; F213-W356 HydrophobicContact CG-CZ3 4Å; F213-W356 AromaticContact CZ-CH2 3.79Å; F213-W356 HydrophobicContact CZ-CH2 3.79Å; F213-W356 AromaticContact CZ-CZ3 3.74Å; F213-W356 HydrophobicContact CZ-CZ3 3.74Å
214	L	88.7	Confident	85.6	Confident	95 Å²	95	79.2 Å²	79.2	50%	0.497	40%	0.396	S	S	.	.	H	α-helix	trans	-67.5	-50	176.4	-76.2	171.2	0	0	0	111.2	K210 Q211 G216 L217 E218	K210-L214 HydrophobicContact CG-CD1 4.28Å; K210-L214 WeakPolarHBondContact O-CG 3.42Å; K210-L214 PolarHBondContact O-N 3.28Å; K210-L214 VanDerWaalsContact O-N 3.09Å; Q211-L214 PolarHBondContact O-N 3.42Å; Q211-L214 VanDerWaalsContact O-N 3.13Å; L214-G216 VanDerWaalsContact C-N 3.34Å; L214-L217 PolarHBondContact O-N 3.47Å; L214-E218 PolarHBondContact O-N 2.81Å; L214-E218 VanDerWaalsContact O-N 3.16Å
215	E	88	Confident	85.3	Confident	88 Å²	88	73.9 Å²	73.9	41%	0.411	37%	0.374	S	S	.	.	H	α-helix	trans	-63.4	-41.8	175.9	-68.3	175.4	-172.4	0	0	110.9	Q211 L217 E218 H219 P355	Q211-E215 WeakPolarHBondContact CG-OE1 3.25Å; Q211-E215 PolarHBondContact NE2-OE1 3.25Å; Q211-E215 PolarHBondContact O-N 3.2Å; E215-L217 VanDerWaalsContact C-N 3.34Å; E215-L217 PolarHBondContact O-N 2.95Å; E215-E218 PolarHBondContact O-N 3.24Å; E215-H219 WeakPolarHBondContact O-CB 3.41Å; E215-H219 PolarHBondContact O-N 3.35Å; E215-P355 HydrophobicContact CB-CB 4.13Å; E215-P355 HydrophobicContact CB-CG 3.64Å
216	G	87	Confident	84.9	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-64.2	-36.8	178.7	0	0	0	0	0	112.9	M212 L214 H219 L220	M212-G216 WeakPolarHBondContact O-CA 3.34Å; M212-G216 PolarHBondContact O-N 3.39Å; L214-G216 VanDerWaalsContact C-N 3.34Å; G216-H219 PolarHBondContact O-N 3.05Å; G216-L220 WeakPolarHBondContact O-CB 3.32Å; G216-L220 VanDerWaalsContact O-CG 3.29Å; G216-L220 WeakPolarHBondContact O-CG 3.45Å; G216-L220 PolarHBondContact O-N 3.37Å
217	L	86.4	Confident	84.3	Confident	77 Å²	77	80.6 Å²	80.6	40%	0.403	41%	0.407	S	S	.	.	H	α-helix	trans	-67.5	-39.9	174.6	-176.8	68.8	0	0	0	111.9	F213 L214 E215 R221	F213-L217 VanDerWaalsContact O-CB 3.26Å; F213-L217 WeakPolarHBondContact O-CB 3.27Å; F213-L217 PolarHBondContact O-N 2.8Å; L214-L217 PolarHBondContact O-N 3.47Å; E215-L217 VanDerWaalsContact C-N 3.34Å; E215-L217 PolarHBondContact O-N 2.95Å; L217-R221 WeakPolarHBondContact O-CB 3.37Å; L217-R221 VanDerWaalsContact O-CG 3.26Å; L217-R221 WeakPolarHBondContact O-CG 3.31Å; L217-R221 PolarHBondContact O-N 2.81Å
218	E	84.6	Confident	83.6	Confident	141 Å²	141	81.6 Å²	81.6	66%	0.659	41%	0.409	S	S	*	.	H	α-helix	trans	-64.3	-44.1	174.6	-171.6	166.2	-163.4	0	0	110.8	L214 E215 R221 S222	L214-E218 PolarHBondContact O-N 2.81Å; L214-E218 VanDerWaalsContact O-N 3.16Å; E215-E218 PolarHBondContact O-N 3.24Å; E218-R221 PolarHBondContact O-N 2.9Å; E218-S222 WeakPolarHBondContact O-CB 3.45Å; E218-S222 PolarHBondContact O-N 3.15Å; E218-S222 PolarHBondContact O-OG 3.09Å
219	H	85.5	Confident	82.8	Confident	31 Å²	31	78.5 Å²	78.5	14%	0.144	40%	0.403	C	S	.	.	H	α-helix	trans	-56.8	-53.4	174.3	-174.7	77.1	0	0	0	111.7	E215 G216 R221 S222 F223 A350	E215-H219 WeakPolarHBondContact O-CB 3.41Å; E215-H219 PolarHBondContact O-N 3.35Å; G216-H219 PolarHBondContact O-N 3.05Å; H219-R221 VanDerWaalsContact C-N 3.3Å; H219-R221 PolarHBondContact O-N 2.82Å; H219-S222 PolarHBondContact O-N 3.27Å; H219-S222 VanDerWaalsContact O-N 3.08Å; H219-S222 PolarHBondContact O-OG 3.12Å; H219-F223 WeakPolarHBondContact O-CB 3.44Å; H219-F223 PolarHBondContact O-N 3.13Å; H219-A350 PolarHBondContact CE1-O 2.78Å; H219-A350 PolarHBondContact NE2-O 2.89Å
220	L	84.8	Confident	82	Confident	84 Å²	84	79 Å²	79	44%	0.44	41%	0.406	S	S	.	.	H	α-helix	trans	-62.1	-33.2	-179.9	-71.1	172.8	0	0	0	113.6	I184 G216	I184-L220 HydrophobicContact CD1-CD1 4.33Å; I184-L220 HydrophobicContact CD1-CD2 4.05Å; G216-L220 WeakPolarHBondContact O-CB 3.32Å; G216-L220 VanDerWaalsContact O-CG 3.29Å; G216-L220 WeakPolarHBondContact O-CG 3.45Å; G216-L220 PolarHBondContact O-N 3.37Å
221	R	84.7	Confident	81.2	Confident	199 Å²	199	75.8 Å²	75.8	75%	0.751	40%	0.401	S	S	*	.	H	α-helix	trans	-72.2	-33.3	175.1	-76	173.4	174.8	177.5	-0.2	112.6	L217 E218 H219	L217-R221 WeakPolarHBondContact O-CB 3.37Å; L217-R221 VanDerWaalsContact O-CG 3.26Å; L217-R221 WeakPolarHBondContact O-CG 3.31Å; L217-R221 PolarHBondContact O-N 2.81Å; E218-R221 PolarHBondContact O-N 2.9Å; H219-R221 VanDerWaalsContact C-N 3.3Å; H219-R221 PolarHBondContact O-N 2.82Å
222	S	82.5	Confident	80.5	Confident	87 Å²	87	76.5 Å²	76.5	61%	0.608	41%	0.408	S	S	*	.	H	α-helix	trans	-81.8	-23.4	178.4	72.9	0	0	0	0	113.2	E218 H219 S224	E218-S222 WeakPolarHBondContact O-CB 3.45Å; E218-S222 PolarHBondContact O-N 3.15Å; E218-S222 PolarHBondContact O-OG 3.09Å; H219-S222 PolarHBondContact O-N 3.27Å; H219-S222 VanDerWaalsContact O-N 3.08Å; H219-S222 PolarHBondContact O-OG 3.12Å; S222-S224 PolarHBondContact O-N 2.94Å
223	F	82.4	Confident	79.8	Confident	55 Å²	55	79 Å²	79	24%	0.241	42%	0.419	C	S	.	.			trans	-78.5	114.1	-174	-172.6	-105.7	0	0	0	111.8	F177 H219 P225 A350 M351	F177-F223 AromaticContact CE1-CE1 3.6Å; F177-F223 HydrophobicContact CE1-CE1 3.6Å; F177-F223 AromaticContact CE1-CZ 3.59Å; F177-F223 HydrophobicContact CE1-CZ 3.59Å; F177-F223 HydrophobicContact CZ-CE1 4.14Å; F177-F223 HydrophobicContact CZ-CZ 4.03Å; H219-F223 WeakPolarHBondContact O-CB 3.44Å; H219-F223 PolarHBondContact O-N 3.13Å; F223-P225 HydrophobicContact CD1-CG 4.47Å; F223-P225 HydrophobicContact CE1-CB 4.21Å; F223-P225 HydrophobicContact CE1-CG 3.72Å; F223-P225 HydrophobicContact CZ-CB 4.01Å; F223-P225 HydrophobicContact CZ-CG 4.05Å; F223-A350 HydrophobicContact CD2-CB 4.09Å; F223-A350 HydrophobicContact CE2-CB 3.73Å; F223-M351 HydrophobicContact CD1-CE 4.09Å; F223-M351 HydrophobicContact CD2-CE 3.81Å; F223-M351 HydrophobicContact CE1-CE 3.79Å; F223-M351 HydrophobicContact CE2-CE 3.51Å; F223-M351 HydrophobicContact CG-CE 4.11Å; F223-M351 HydrophobicContact CZ-CE 3.51Å
224	S	79	Confident	78.8	Confident	109 Å²	109	87.5 Å²	87.5	76%	0.762	45%	0.449	S	S	*	.			trans	-137.1	94.6	175.8	175.2	0	0	0	0	109.7	S222	S222-S224 PolarHBondContact O-N 2.94Å
225	P	76.4	Confident	78.1	Confident	38 Å²	38	89 Å²	89	25%	0.247	45%	0.452	C	S	.	.			trans	-72.9	144.9	177.7	29.1	-31.7	0	0	0	111.2	F177 F223 I227	F177-P225 HydrophobicContact CZ-CB 4.27Å; F177-P225 HydrophobicContact CZ-CG 4.23Å; F223-P225 HydrophobicContact CD1-CG 4.47Å; F223-P225 HydrophobicContact CE1-CB 4.21Å; F223-P225 HydrophobicContact CE1-CG 3.72Å; F223-P225 HydrophobicContact CZ-CB 4.01Å; F223-P225 HydrophobicContact CZ-CG 4.05Å; P225-I227 VanDerWaalsContact C-N 3.33Å; P225-I227 HydrophobicContact CG-CG1 4.36Å; P225-I227 PolarHBondContact O-N 3.05Å
226	D	75.5	Confident	77.6	Confident	90 Å²	90	95.3 Å²	95.3	48%	0.481	47%	0.472	S	S	.	.			trans	-76.5	80.9	174.2	-179	12	0	0	0	110.9	D228 G229 M230	D226-D228 VanDerWaalsContact C-N 3.31Å; D226-D228 PolarHBondContact O-N 2.73Å; D226-G229 PolarHBondContact OD1-N 3.37Å; D226-M230 VanDerWaalsContact O-CG 3.29Å; D226-M230 WeakPolarHBondContact O-CG 3.42Å; D226-M230 PolarHBondContact O-N 3.04Å
227	I	72	Confident	77.3	Confident	105 Å²	105	102.9 Å²	102.9	54%	0.538	51%	0.505	S	S	.	.	H	α-helix	trans	-63.1	-38.4	-178.7	-62.2	174.2	0	0	0	111.2	P225 M230 C231	P225-I227 VanDerWaalsContact C-N 3.33Å; P225-I227 HydrophobicContact CG-CG1 4.36Å; P225-I227 PolarHBondContact O-N 3.05Å; I227-M230 PolarHBondContact O-N 2.9Å; I227-C231 HydrophobicContact CG2-CB 4.34Å; I227-C231 VanDerWaalsContact O-CB 3.32Å; I227-C231 WeakPolarHBondContact O-CB 3.37Å; I227-C231 PolarHBondContact O-N 2.95Å
228	D	72	Confident	77	Confident	111 Å²	111	102.6 Å²	102.6	59%	0.594	51%	0.514	S	S	*	.	H	α-helix	trans	-66.3	-44.1	-177.2	-81.8	-32.5	0	0	0	111.7	D226 M230 N232	D226-D228 VanDerWaalsContact C-N 3.31Å; D226-D228 PolarHBondContact O-N 2.73Å; D228-M230 PolarHBondContact O-N 2.73Å; D228-N232 WeakPolarHBondContact O-CB 3.26Å; D228-N232 PolarHBondContact O-N 3.45Å; D228-N232 VanDerWaalsContact O-N 3.12Å; D228-N232 PolarHBondContact OD1-ND2 3.1Å
229	G	68.9	Low	76.6	Confident	31 Å²	31	100.9 Å²	100.9	32%	0.32	51%	0.508	S	S	.	.	H	α-helix	trans	-63	-30.3	176.5	0	0	0	0	0	113.7	D226	D226-G229 PolarHBondContact OD1-N 3.37Å
230	M	70	Confident	76.2	Confident	18 Å²	18	107.1 Å²	107.1	9%	0.089	54%	0.542	C	S	.	.	H	α-helix	trans	-87.3	-46.2	-178.1	-64.6	178.7	75.2	0	0	112.9	V173 D226 I227 D228 T343	V173-M230 HydrophobicContact CB-CE 4.1Å; V173-M230 HydrophobicContact CG1-CE 3.74Å; V173-M230 HydrophobicContact CG2-CE 3.58Å; D226-M230 VanDerWaalsContact O-CG 3.29Å; D226-M230 WeakPolarHBondContact O-CG 3.42Å; D226-M230 PolarHBondContact O-N 3.04Å; I227-M230 PolarHBondContact O-N 2.9Å; D228-M230 PolarHBondContact O-N 2.73Å; M230-T343 HydrophobicContact CG-CG2 4.41Å
231	C	70.9	Confident	75.8	Confident	78 Å²	78	106.3 Å²	106.3	53%	0.527	54%	0.541	S	S	.	.	H	α-helix	trans	-96.8	-27.7	-167.9	-60.8	0	0	0	0	113.8	I227 K233	I227-C231 HydrophobicContact CG2-CB 4.34Å; I227-C231 VanDerWaalsContact O-CB 3.32Å; I227-C231 WeakPolarHBondContact O-CB 3.37Å; I227-C231 PolarHBondContact O-N 2.95Å; C231-K233 PolarHBondContact O-N 2.87Å
232	N	72.4	Confident	75.4	Confident	111 Å²	111	99.8 Å²	99.8	59%	0.594	53%	0.526	S	S	*	.			trans	-99.3	40.4	-170.6	-75.3	-34.2	0	0	0	113.8	D228	D228-N232 WeakPolarHBondContact O-CB 3.26Å; D228-N232 PolarHBondContact O-N 3.45Å; D228-N232 VanDerWaalsContact O-N 3.12Å; D228-N232 PolarHBondContact OD1-ND2 3.1Å
233	K	73.3	Confident	75.1	Confident	59 Å²	59	100.7 Å²	100.7	26%	0.257	53%	0.528	S	S	.	.			trans	-75.3	128.2	177	-63.3	-173.3	177.3	-167.2	0	111.5	F162 E166 C231 S336 S340	F162-K233 HydrophobicContact CZ-CD 4.42Å; E166-K233 IonicContact OE1-NZ 2.65Å; E166-K233 PolarHBondContact OE1-NZ 3.48Å; E166-K233 WeakPolarHBondContact OE2-CE 3.43Å; E166-K233 IonicContact OE2-NZ 3.61Å; E166-K233 PolarHBondContact OE2-NZ 3Å; C231-K233 PolarHBondContact O-N 2.87Å; K233-S336 PolarHBondContact NZ-O 2.99Å; K233-S336 PolarHBondContact NZ-OG 3.44Å; K233-S340 VanDerWaalsContact NZ-CB 3.3Å; K233-S340 PolarHBondContact NZ-OG 2.92Å
234	R	70.7	Confident	74.9	Confident	230 Å²	230	101.3 Å²	101.3	87%	0.868	54%	0.544	S	S	*	.			trans	-120.1	123.3	175.6	-68.5	-178.4	171.4	-176.3	-2.6	110.1
235	F	73.6	Confident	74.8	Confident	127 Å²	127	99.5 Å²	99.5	56%	0.557	53%	0.528	S	S	*	.			trans	-113.3	149.9	171.3	65.1	-86	0	0	0	110.5	V159 F162	V159-F235 HydrophobicContact CG1-CE2 3.91Å; V159-F235 HydrophobicContact CG1-CZ 4.1Å; F162-F235 HydrophobicContact CE1-CD1 4.5Å
236	R	77.8	Confident	74.9	Confident	221 Å²	221	101.6 Å²	101.6	83%	0.834	54%	0.537	S	S	*	.			trans	-138	142.3	178	-74.7	-175.9	-178.4	153.7	-0.8	109.9	A238	R236-A238 PolarHBondContact O-N 2.82Å
237	F	81	Confident	75.2	Confident	158 Å²	158	100 Å²	100	69%	0.693	54%	0.535	S	S	*	.			trans	-76.3	116.3	167.3	178.8	-118.1	0	0	0	109.5	L155 I239	L155-F237 HydrophobicContact CD1-CE2 3.98Å; F237-I239 HydrophobicContact CD1-CG1 4.29Å; F237-I239 HydrophobicContact CE1-CD1 4.28Å; F237-I239 HydrophobicContact CE1-CG1 3.68Å; F237-I239 HydrophobicContact CZ-CG1 4.17Å
238	A	79.1	Confident	75.6	Confident	71 Å²	71	99.6 Å²	99.6	59%	0.587	53%	0.534	S	S	*	.			trans	-108.5	131.3	175.1	0	0	0	0	0	109.9	R236 N240	R236-A238 PolarHBondContact O-N 2.82Å; A238-N240 PolarHBondContact O-OD1 2.98Å
239	I	77.3	Confident	76	Confident	106 Å²	106	99.1 Å²	99.1	54%	0.544	53%	0.531	S	S	.	.			trans	-89.7	114	176.3	-51.1	176.7	0	0	0	107.8	F237 T241	F237-I239 HydrophobicContact CD1-CG1 4.29Å; F237-I239 HydrophobicContact CE1-CD1 4.28Å; F237-I239 HydrophobicContact CE1-CG1 3.68Å; F237-I239 HydrophobicContact CZ-CG1 4.17Å; I239-T241 WeakPolarHBondContact CG2-O 3.35Å; I239-T241 PolarHBondContact O-N 3.36Å
240	N	76.4	Confident	76.7	Confident	161 Å²	161	103.3 Å²	103.3	86%	0.861	55%	0.545	S	S	*	.	S	Bend	trans	-69.8	-11.2	-176.4	-61.2	2.2	0	0	0	113.6	A238	A238-N240 PolarHBondContact O-OD1 2.98Å
241	T	77	Confident	77.2	Confident	67 Å²	67	106.2 Å²	106.2	41%	0.411	57%	0.572	S	S	.	*	S	Bend	trans	-124	137	-177.3	-54.7	0	0	0	0	108.8	I239 T243 T245	I239-T241 WeakPolarHBondContact CG2-O 3.35Å; I239-T241 PolarHBondContact O-N 3.36Å; T241-T243 PolarHBondContact O-N 3.23Å; T241-T245 HydrophobicContact CG2-CG2 4.17Å
242	S	75.2	Confident	77.7	Confident	63 Å²	63	109.5 Å²	109.5	44%	0.441	58%	0.579	S	S	.	*			trans	-60.4	138.7	176.7	90.7	0	0	0	0	110.1	A244 T245 L246	S242-A244 PolarHBondContact O-N 3.22Å; S242-A244 VanDerWaalsContact O-N 3.13Å; S242-T245 PolarHBondContact O-N 2.92Å; S242-T245 WeakPolarHBondContact OG-CB 3.3Å; S242-T245 PolarHBondContact OG-N 2.77Å; S242-T245 PolarHBondContact OG-OG1 2.76Å; S242-L246 PolarHBondContact O-N 2.83Å
243	T	76.5	Confident	78.3	Confident	106 Å²	106	108.4 Å²	108.4	65%	0.65	57%	0.569	S	S	*	*	H	α-helix	trans	-54.6	-33.4	176.9	-45.9	0	0	0	0	111.4	T241 A247	T241-T243 PolarHBondContact O-N 3.23Å; T243-A247 WeakPolarHBondContact O-CB 3.44Å; T243-A247 PolarHBondContact O-N 3.12Å
244	A	77.7	Confident	78.7	Confident	68 Å²	68	108.5 Å²	108.5	56%	0.562	59%	0.587	S	S	*	*	H	α-helix	trans	-67.8	-43	175.8	0	0	0	0	0	112.8	S242 A247 N248	S242-A244 PolarHBondContact O-N 3.22Å; S242-A244 VanDerWaalsContact O-N 3.13Å; A244-A247 PolarHBondContact O-N 2.86Å; A244-N248 WeakPolarHBondContact O-CB 3.47Å; A244-N248 PolarHBondContact O-N 2.79Å
245	T	77.8	Confident	79.3	Confident	71 Å²	71	105.3 Å²	105.3	44%	0.436	58%	0.582	S	S	.	*	H	α-helix	trans	-64.7	-42.6	176.3	-49.6	0	0	0	0	110.7	T241 S242 N248 I249	T241-T245 HydrophobicContact CG2-CG2 4.17Å; S242-T245 PolarHBondContact O-N 2.92Å; S242-T245 WeakPolarHBondContact OG-CB 3.3Å; S242-T245 PolarHBondContact OG-N 2.77Å; S242-T245 PolarHBondContact OG-OG1 2.76Å; T245-N248 WeakPolarHBondContact O-CB 3.34Å; T245-N248 PolarHBondContact O-N 3.29Å; T245-I249 HydrophobicContact CG2-CD1 4.22Å; T245-I249 VanDerWaalsContact O-CG1 3.32Å; T245-I249 WeakPolarHBondContact O-CG1 3.4Å; T245-I249 PolarHBondContact O-N 2.85Å
246	L	78.8	Confident	79.8	Confident	82 Å²	82	106.1 Å²	106.1	43%	0.429	59%	0.591	S	S	.	*	H	α-helix	trans	-63.1	-44.4	176.3	-178.4	62	0	0	0	111.5	S242 N248 I249 I250	S242-L246 PolarHBondContact O-N 2.83Å; L246-N248 VanDerWaalsContact C-N 3.3Å; L246-N248 PolarHBondContact O-N 3.22Å; L246-I249 PolarHBondContact O-N 3.47Å; L246-I250 HydrophobicContact CD1-CD1 4.3Å; L246-I250 HydrophobicContact CG-CD1 4.02Å; L246-I250 VanDerWaalsContact O-CG1 3.32Å; L246-I250 WeakPolarHBondContact O-CG1 3.47Å; L246-I250 PolarHBondContact O-N 3.32Å
247	A	80	Confident	79.7	Confident	55 Å²	55	103.2 Å²	103.2	46%	0.455	59%	0.587	S	S	.	*	H	α-helix	trans	-59.7	-41	174.9	0	0	0	0	0	111.8	T243 A244 I250 A251	T243-A247 WeakPolarHBondContact O-CB 3.44Å; T243-A247 PolarHBondContact O-N 3.12Å; A244-A247 PolarHBondContact O-N 2.86Å; A247-I250 PolarHBondContact O-N 3.06Å; A247-A251 WeakPolarHBondContact O-CB 3.23Å; A247-A251 PolarHBondContact O-N 3.08Å
248	N	81	Confident	79.5	Confident	97 Å²	97	101.4 Å²	101.4	52%	0.519	59%	0.588	S	S	.	*	H	α-helix	trans	-62.5	-43.6	174	-102	-25.1	0	0	0	112.2	A244 T245 L246 I250 A251 H252	A244-N248 WeakPolarHBondContact O-CB 3.47Å; A244-N248 PolarHBondContact O-N 2.79Å; T245-N248 WeakPolarHBondContact O-CB 3.34Å; T245-N248 PolarHBondContact O-N 3.29Å; L246-N248 VanDerWaalsContact C-N 3.3Å; L246-N248 PolarHBondContact O-N 3.22Å; N248-I250 VanDerWaalsContact C-N 3.29Å; N248-I250 PolarHBondContact O-N 3.34Å; N248-A251 PolarHBondContact O-N 3.34Å; N248-H252 PolarHBondContact O-N 3.39Å; N248-H252 VanDerWaalsContact O-N 3.11Å; N248-H252 PolarHBondContact O-ND1 3.26Å
249	I	81.7	Confident	78.6	Confident	102 Å²	102	102 Å²	102	52%	0.523	59%	0.588	S	S	.	*	H	α-helix	trans	-61.2	-41.9	176.8	-67.9	163.8	0	0	0	110.7	T245 L246 F253	T245-I249 HydrophobicContact CG2-CD1 4.22Å; T245-I249 VanDerWaalsContact O-CG1 3.32Å; T245-I249 WeakPolarHBondContact O-CG1 3.4Å; T245-I249 PolarHBondContact O-N 2.85Å; L246-I249 PolarHBondContact O-N 3.47Å; I249-F253 PolarHBondContact O-N 2.96Å
250	I	83.7	Confident	77.3	Confident	118 Å²	118	103 Å²	103	61%	0.605	60%	0.595	S	S	*	*	H	α-helix	trans	-66.5	-42.9	177.7	-66	166.3	0	0	0	111	L246 A247 N248 H252 F253	L246-I250 HydrophobicContact CD1-CD1 4.3Å; L246-I250 HydrophobicContact CG-CD1 4.02Å; L246-I250 VanDerWaalsContact O-CG1 3.32Å; L246-I250 WeakPolarHBondContact O-CG1 3.47Å; L246-I250 PolarHBondContact O-N 3.32Å; A247-I250 PolarHBondContact O-N 3.06Å; N248-I250 VanDerWaalsContact C-N 3.29Å; N248-I250 PolarHBondContact O-N 3.34Å; I250-H252 VanDerWaalsContact C-N 3.27Å; I250-H252 PolarHBondContact O-N 3.44Å; I250-F253 WeakPolarHBondContact O-CB 3.22Å; I250-F253 PolarHBondContact O-N 3.04Å
251	A	78.7	Confident	75.7	Confident	79 Å²	79	103.8 Å²	103.8	65%	0.653	59%	0.591	S	S	*	*	H	α-helix	trans	-63.7	-31.4	-179.4	0	0	0	0	0	113.1	A247 N248	A247-A251 WeakPolarHBondContact O-CB 3.23Å; A247-A251 PolarHBondContact O-N 3.08Å; N248-A251 PolarHBondContact O-N 3.34Å
252	H	82.9	Confident	73.8	Confident	147 Å²	147	108.7 Å²	108.7	68%	0.681	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	14.4	178.6	-58.1	86	0	0	0	112.6	N248 I250 G254	N248-H252 PolarHBondContact O-N 3.39Å; N248-H252 VanDerWaalsContact O-N 3.11Å; N248-H252 PolarHBondContact O-ND1 3.26Å; I250-H252 VanDerWaalsContact C-N 3.27Å; I250-H252 PolarHBondContact O-N 3.44Å; H252-G254 PolarHBondContact O-N 3.18Å
253	F	83.4	Confident	71.9	Confident	88 Å²	88	110.5 Å²	110.5	39%	0.386	62%	0.622	S	S	.	*			trans	-77.8	116.6	-179.8	180	-96	0	0	0	111.6	M141 I144 I249 I250	M141-F253 HydrophobicContact CE-CD1 3.74Å; M141-F253 HydrophobicContact CE-CE1 4.02Å; M141-F253 HydrophobicContact SD-CD1 4.34Å; M141-F253 HydrophobicContact SD-CE1 4.4Å; I144-F253 HydrophobicContact CD1-CD1 4.12Å; I144-F253 HydrophobicContact CD1-CD2 4.24Å; I144-F253 HydrophobicContact CD1-CE1 3.47Å; I144-F253 VanDerWaalsContact CD1-CE1 3.47Å; I144-F253 HydrophobicContact CD1-CE2 3.6Å; I144-F253 HydrophobicContact CD1-CG 4.48Å; I144-F253 HydrophobicContact CD1-CZ 3.2Å; I249-F253 PolarHBondContact O-N 2.96Å; I250-F253 WeakPolarHBondContact O-CB 3.22Å; I250-F253 PolarHBondContact O-N 3.04Å
254	G	81.9	Confident	69.7	Low	62 Å²	62	114 Å²	114	64%	0.639	64%	0.636	S	S	*	*			trans	82.9	145.8	177.8	0	0	0	0	0	112.8	H252	H252-G254 PolarHBondContact O-N 3.18Å
255	E	85.1	Confident	67.6	Low	162 Å²	162	117 Å²	117	76%	0.757	64%	0.642	S	S	*	*			trans	-137.7	141.2	175.5	-174.4	-178.2	179.6	0	0	108.5	Q257	E255-Q257 PolarHBondContact O-N 3.28Å
256	I	82.1	Confident	65.4	Low	145 Å²	145	118.3 Å²	118.3	74%	0.744	65%	0.654	S	S	*	*			trans	-88.4	107.5	174.4	-60.8	174.6	0	0	0	107.8
257	Q	77.2	Confident	63.2	Low	159 Å²	159	121.1 Å²	121.1	74%	0.743	67%	0.669	S	S	*	*			trans	-91.3	125.7	178.3	-65.8	-176.5	-9.7	0	0	111	E255	E255-Q257 PolarHBondContact O-N 3.28Å
258	V	76.8	Confident	60.9	Low	121 Å²	121	125.3 Å²	125.3	73%	0.733	68%	0.679	S	S	*	*			trans	-102	104.1	170.3	-176.1	0	0	0	0	107.5	N260	V258-N260 PolarHBondContact O-N 3.05Å
259	S	59.6	Low	58.5	Low	82 Å²	82	128.8 Å²	128.8	57%	0.573	70%	0.697	S	S	*	*			trans	-85	106.5	173.3	46.9	0	0	0	0	109.2	F261	S259-F261 PolarHBondContact O-N 3.42Å; S259-F261 WeakPolarHBondContact OG-CD2 3.47Å; S259-F261 VanDerWaalsContact OG-CE2 3.25Å; S259-F261 WeakPolarHBondContact OG-CE2 3.48Å
260	N	50.8	Low	56.2	Low	128 Å²	128	128.9 Å²	128.9	68%	0.684	70%	0.703	S	S	*	*			trans	-72.3	79.5	165.9	-73.8	-4.6	0	0	0	108.4	V258 L262	V258-N260 PolarHBondContact O-N 3.05Å; N260-L262 PolarHBondContact O-N 3Å; N260-L262 VanDerWaalsContact O-N 3.14Å
261	F	42	Very low	53.8	Low	178 Å²	178	129.9 Å²	129.9	78%	0.781	71%	0.709	S	S	*	*			trans	-68.6	109	161.1	-73	-82.4	0	0	0	106.4	S259	S259-F261 PolarHBondContact O-N 3.42Å; S259-F261 WeakPolarHBondContact OG-CD2 3.47Å; S259-F261 VanDerWaalsContact OG-CE2 3.25Å; S259-F261 WeakPolarHBondContact OG-CE2 3.48Å
262	L	36.9	Very low	51.8	Low	170 Å²	170	133.8 Å²	133.8	89%	0.89	72%	0.718	S	S	*	*			trans	99.9	82.1	176.3	-51.4	169.9	0	0	0	116.4	N260	N260-L262 PolarHBondContact O-N 3Å; N260-L262 VanDerWaalsContact O-N 3.14Å
263	T	34.6	Very low	49.5	Very low	101 Å²	101	130.2 Å²	130.2	62%	0.62	71%	0.714	S	S	*	*			trans	-137.9	68.4	144.4	59.4	0	0	0	0	110.4	I265	T263-I265 VanDerWaalsContact C-N 3.25Å
264	N	30.3	Very low	47.4	Very low	178 Å²	178	132.1 Å²	132.1	95%	0.952	73%	0.727	S	S	*	*			trans	-92.2	8.7	152.4	-113.6	-2.7	0	0	0	111.5
265	I	34.2	Very low	45	Very low	132 Å²	132	132.1 Å²	132.1	68%	0.677	72%	0.715	S	S	*	*	S	Bend	trans	-101.7	110.5	160.7	-57.4	176.2	0	0	0	104.7	T263 L267	T263-I265 VanDerWaalsContact C-N 3.25Å; I265-L267 PolarHBondContact O-N 3.03Å
266	S	31.5	Very low	42.9	Very low	99 Å²	99	135.7 Å²	135.7	69%	0.692	72%	0.722	S	S	*	*			trans	-57.4	80.9	167.8	169.5	0	0	0	0	109.2	Q268	S266-Q268 PolarHBondContact O-N 3.46Å
267	L	32.6	Very low	41.1	Very low	141 Å²	141	137.1 Å²	137.1	74%	0.738	72%	0.723	S	S	*	*			trans	-81.2	84.2	152.7	-83.4	152.8	0	0	0	104.6	I265 N269	I265-L267 PolarHBondContact O-N 3.03Å; L267-N269 PolarHBondContact O-N 3.2Å
268	Q	32.5	Very low	39	Very low	143 Å²	143	135 Å²	135	67%	0.668	72%	0.716	S	S	*	*			trans	-51.4	138.7	156.6	-70	-172.6	-15.8	0	0	106.8	S266 T270	S266-Q268 PolarHBondContact O-N 3.46Å; Q268-T270 PolarHBondContact O-N 3.05Å
269	N	31	Very low	36.9	Very low	169 Å²	169	137 Å²	137	90%	0.904	71%	0.711	S	S	*	*	S	Bend	trans	-59.2	57.6	171.1	-77.5	-18.1	0	0	0	111.7	L267	L267-N269 PolarHBondContact O-N 3.2Å
270	T	32.7	Very low	35.9	Very low	105 Å²	105	140.2 Å²	140.2	64%	0.644	72%	0.72	S	S	*	*			trans	-88.1	114.7	155.3	55.6	0	0	0	0	104.2	Q268 I272	Q268-T270 PolarHBondContact O-N 3.05Å; T270-I272 PolarHBondContact O-N 3.47Å
271	D	33.4	Very low	35.1	Very low	138 Å²	138	138.7 Å²	138.7	74%	0.738	73%	0.725	S	S	*	*			trans	-25.5	130	157.5	-60.9	-56.6	0	0	0	109.2	A273	D271-A273 HydrophobicContact CB-CB 4.26Å; D271-A273 PolarHBondContact O-N 2.78Å
272	I	37.1	Very low	35	Very low	162 Å²	162	135.9 Å²	135.9	83%	0.831	72%	0.718	S	S	*	*			trans	-69.5	59.6	163.9	-55.6	167.8	0	0	0	106	T270 I274	T270-I272 PolarHBondContact O-N 3.47Å; I272-I274 VanDerWaalsContact C-N 3.31Å; I272-I274 HydrophobicContact CG2-CG1 4.45Å; I272-I274 PolarHBondContact O-N 3.06Å
273	A	33.7	Very low	35.1	Very low	72 Å²	72	137 Å²	137	60%	0.595	72%	0.719	S	S	*	*			trans	-76	94.3	157.2	0	0	0	0	0	103.6	D271 P275	D271-A273 HydrophobicContact CB-CB 4.26Å; D271-A273 PolarHBondContact O-N 2.78Å; A273-P275 VanDerWaalsContact O-CD 3.27Å; A273-P275 WeakPolarHBondContact O-CD 3.36Å
274	I	39.1	Very low	35.4	Very low	128 Å²	128	136.8 Å²	136.8	66%	0.656	72%	0.721	S	S	*	*			trans	-51	118.8	163.7	-63.2	173.6	0	0	0	105.5	I272 R276	I272-I274 VanDerWaalsContact C-N 3.31Å; I272-I274 HydrophobicContact CG2-CG1 4.45Å; I272-I274 PolarHBondContact O-N 3.06Å; I274-R276 PolarHBondContact O-N 2.89Å; I274-R276 VanDerWaalsContact O-N 3.15Å
275	P	32.5	Very low	35.8	Very low	61 Å²	61	131.8 Å²	131.8	40%	0.396	69%	0.694	S	S	.	*			trans	-53.5	125	-173.1	-25.7	32	0	0	0	109.7	A273 F277 L278	A273-P275 VanDerWaalsContact O-CD 3.27Å; A273-P275 WeakPolarHBondContact O-CD 3.36Å; P275-F277 HydrophobicContact CB-CD1 3.74Å; P275-F277 HydrophobicContact CB-CE1 3.47Å; P275-F277 VanDerWaalsContact CB-CE1 3.47Å; P275-F277 HydrophobicContact CB-CZ 4.21Å; P275-F277 HydrophobicContact CG-CE1 4.39Å; P275-F277 PolarHBondContact O-N 3.01Å; P275-L278 HydrophobicContact CG-CD1 4.44Å; P275-L278 PolarHBondContact O-N 3.4Å
276	R	39.7	Very low	36	Very low	238 Å²	238	129.4 Å²	129.4	90%	0.898	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-49	-25.8	-175.3	-92.6	-178.5	174.8	167.7	-2	114.1	I274 R279	I274-R276 PolarHBondContact O-N 2.89Å; I274-R276 VanDerWaalsContact O-N 3.15Å; R276-R279 WeakPolarHBondContact O-CB 3.24Å; R276-R279 PolarHBondContact O-N 2.8Å
277	F	44.2	Very low	36.2	Very low	174 Å²	174	132.2 Å²	132.2	76%	0.763	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-79.4	-13.1	179.2	74.5	-94.1	0	0	0	114.9	P275 R279	P275-F277 HydrophobicContact CB-CD1 3.74Å; P275-F277 HydrophobicContact CB-CE1 3.47Å; P275-F277 VanDerWaalsContact CB-CE1 3.47Å; P275-F277 HydrophobicContact CB-CZ 4.21Å; P275-F277 HydrophobicContact CG-CE1 4.39Å; P275-F277 PolarHBondContact O-N 3.01Å; F277-R279 VanDerWaalsContact C-N 3.32Å
278	L	34.5	Very low	36.1	Very low	115 Å²	115	133.4 Å²	133.4	60%	0.602	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-88.3	-2.5	172.5	-70.1	175.5	0	0	0	112.7	P275 L280	P275-L278 HydrophobicContact CG-CD1 4.44Å; P275-L278 PolarHBondContact O-N 3.4Å; L278-L280 VanDerWaalsContact C-N 3.29Å; L278-L280 PolarHBondContact O-N 3.21Å
279	R	33.1	Very low	36.1	Very low	164 Å²	164	132.2 Å²	132.2	62%	0.619	71%	0.711	S	S	*	*			trans	-80.1	80.9	176.4	-151.8	174.1	-173.1	155.6	2.2	108.7	R276 F277 A281 D285	R276-R279 WeakPolarHBondContact O-CB 3.24Å; R276-R279 PolarHBondContact O-N 2.8Å; F277-R279 VanDerWaalsContact C-N 3.32Å; R279-A281 PolarHBondContact O-N 2.92Å; R279-D285 IonicContact CZ-OD2 2.86Å; R279-D285 IonicContact NE-OD2 3.26Å; R279-D285 PolarHBondContact NE-OD2 2.92Å; R279-D285 IonicContact NH2-OD2 3.66Å; R279-D285 PolarHBondContact NH2-OD2 3.33Å
280	L	37.2	Very low	36.1	Very low	149 Å²	149	131.7 Å²	131.7	78%	0.78	71%	0.708	S	S	*	*			trans	-64.1	120.1	162.8	-147.2	80.7	0	0	0	106.1	L278 L282	L278-L280 VanDerWaalsContact C-N 3.29Å; L278-L280 PolarHBondContact O-N 3.21Å; L280-L282 PolarHBondContact O-N 3.06Å
281	A	34.6	Very low	36	Very low	95 Å²	95	135.4 Å²	135.4	79%	0.785	72%	0.718	S	S	*	*			trans	-58.3	98.5	178.9	0	0	0	0	0	109.1	R279	R279-A281 PolarHBondContact O-N 2.92Å
282	L	40.9	Very low	35.6	Very low	119 Å²	119	138.1 Å²	138.1	62%	0.623	73%	0.726	S	S	*	*			trans	-84.4	136.6	167	-73.7	166.9	0	0	0	106.7	L280 S284 D285	L280-L282 PolarHBondContact O-N 3.06Å; L282-S284 PolarHBondContact O-N 2.87Å; L282-D285 PolarHBondContact O-N 2.9Å
283	E	37.9	Very low	35.1	Very low	195 Å²	195	141.9 Å²	141.9	91%	0.911	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-56.6	-11.6	-176.6	-69.7	172	162.6	0	0	113.8
284	S	40.6	Very low	34.7	Very low	96 Å²	96	147 Å²	147	67%	0.671	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-77.8	-17.1	173.6	56.7	0	0	0	0	114.9	L282 A286	L282-S284 PolarHBondContact O-N 2.87Å; S284-A286 PolarHBondContact O-N 2.99Å
285	D	40	Very low	34.1	Very low	72 Å²	72	146.6 Å²	146.6	39%	0.385	75%	0.754	S	S	.	*	G	3₁₀ helix	trans	-78.1	-3.8	-178.6	-84	21.9	0	0	0	113	R279 L282 N287	R279-D285 IonicContact CZ-OD2 2.86Å; R279-D285 IonicContact NE-OD2 3.26Å; R279-D285 PolarHBondContact NE-OD2 2.92Å; R279-D285 IonicContact NH2-OD2 3.66Å; R279-D285 PolarHBondContact NH2-OD2 3.33Å; L282-D285 PolarHBondContact O-N 2.9Å; D285-N287 PolarHBondContact O-N 2.84Å
286	A	37.6	Very low	33.7	Very low	82 Å²	82	148.8 Å²	148.8	68%	0.678	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-68.3	-3.7	-175.6	0	0	0	0	0	115.1	S284	S284-A286 PolarHBondContact O-N 2.99Å
287	N	35.3	Very low	33	Very low	159 Å²	159	144.9 Å²	144.9	85%	0.85	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-117.2	5.8	-170.9	-110.4	7.8	0	0	0	117.3	D285	D285-N287 PolarHBondContact O-N 2.84Å
288	E	31.3	Very low	32.2	Very low	166 Å²	166	146.9 Å²	146.9	78%	0.776	78%	0.777	S	S	*	*			trans	-106.7	1.5	-174.9	-91.1	-169.3	160.9	0	0	116.5	N290	E288-N290 VanDerWaalsContact C-N 3.25Å; E288-N290 PolarHBondContact O-N 3.23Å
289	S	32.9	Very low	31.8	Very low	117 Å²	117	147.5 Å²	147.5	82%	0.818	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	11.5	-171.6	59.8	0	0	0	0	116.8
290	N	30.7	Very low	31.2	Very low	158 Å²	158	149.4 Å²	149.4	85%	0.845	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.7	8.4	-174.6	-117.1	-8.5	0	0	0	117.3	E288	E288-N290 VanDerWaalsContact C-N 3.25Å; E288-N290 PolarHBondContact O-N 3.23Å
291	H	30	Very low	30.7	Very low	184 Å²	184	151.5 Å²	151.5	85%	0.852	80%	0.798	S	S	*	*	S	Bend	trans	-111.5	3.6	-170.5	-120.3	-63.2	0	0	0	118.6
292	E	26.2	Very low	30.1	Very low	194 Å²	194	154.4 Å²	154.4	91%	0.907	80%	0.795	S	S	*	*			trans	-105	2.8	-175.9	-74.4	-166.5	155.5	0	0	116.7	L294	E292-L294 PolarHBondContact O-N 3.49Å
293	R	25.1	Very low	29.4	Very low	241 Å²	241	157.3 Å²	157.3	91%	0.909	81%	0.805	S	S	*	*	S	Bend	trans	-95.3	86.8	168.9	-71.7	-175	-175.9	-172.1	2.6	109.7
294	L	26.3	Very low	28.9	Very low	181 Å²	181	153.7 Å²	153.7	95%	0.948	80%	0.796	S	S	*	*	S	Bend	trans	168.1	63.1	151.9	-88.8	157.4	0	0	0	110.7	E292	E292-L294 PolarHBondContact O-N 3.49Å
295	S	25.7	Very low	28.2	Very low	118 Å²	118	158.1 Å²	158.1	83%	0.825	81%	0.806	S	S	*	*			trans	-156.9	60.8	166.5	177.1	0	0	0	0	112
296	S	25	Very low	27.4	Very low	107 Å²	107	161.4 Å²	161.4	75%	0.748	82%	0.824	S	S	*	*			trans	-155.5	83	167.6	43.2	0	0	0	0	109.5
297	N	25.2	Very low	27	Very low	156 Å²	156	167.2 Å²	167.2	83%	0.834	83%	0.833	S	S	*	*			trans	-178.6	102.4	155.7	-93.1	-23.3	0	0	0	110.2
298	K	27.4	Very low	26.5	Very low	217 Å²	217	170.4 Å²	170.4	94%	0.943	83%	0.834	S	S	*	*			trans	-165.9	120.8	133.4	-107.7	170.7	-175.9	-177	0	110.7
299	V	24.6	Very low	26.2	Very low	127 Å²	127	168.2 Å²	168.2	77%	0.77	84%	0.837	S	S	*	*			trans	-87.6	152.6	-173.2	165.9	0	0	0	0	110.2
300	R	21.6	Very low	26.1	Very low	204 Å²	204	168.9 Å²	168.9	77%	0.77	84%	0.836	S	S	*	*			trans	-5	143.4	158.2	-70.4	170.2	131.1	115.4	-3.8	118.4
301	E	25.8	Very low	25.8	Very low	194 Å²	194	166.3 Å²	166.3	91%	0.907	84%	0.836	S	S	*	*			trans	-151	116.6	132.3	-108.3	169.5	-156.6	0	0	110
302	E	22.6	Very low	25.8	Very low	155 Å²	155	162.3 Å²	162.3	72%	0.724	84%	0.835	S	S	*	*			trans	-87.9	142.8	167.2	-71.4	170.2	163.9	0	0	108.1
303	H	26.6	Very low	25.8	Very low	181 Å²	181	160 Å²	160	84%	0.838	83%	0.829	S	S	*	*			trans	-144	114.3	157.7	-117.3	-76.9	0	0	0	110.6
304	V	26.5	Very low	26.2	Very low	118 Å²	118	156.7 Å²	156.7	72%	0.715	83%	0.829	S	S	*	*			trans	-94.5	130.2	170.9	171.4	0	0	0	0	107.4
305	E	26.4	Very low	26.4	Very low	189 Å²	189	153.4 Å²	153.4	88%	0.883	82%	0.822	S	S	*	*			trans	-127.2	102.1	160.2	-82.7	-166.1	148.8	0	0	109.6
306	D	23.3	Very low	26.6	Very low	141 Å²	141	152.7 Å²	152.7	75%	0.754	82%	0.823	S	S	*	*			trans	-74.2	135.4	157.5	-84.4	-41.8	0	0	0	109.5
307	K	28	Very low	26.8	Very low	204 Å²	204	152.2 Å²	152.2	89%	0.887	83%	0.826	S	S	*	*			trans	-173.7	138.4	144.4	-103.6	153.6	-167.5	176.2	0	114.1
308	R	24.4	Very low	27.1	Very low	227 Å²	227	153 Å²	153	86%	0.857	83%	0.83	S	S	*	*			trans	87.8	84.5	157.9	-72.9	178.6	170	174.1	-3.2	118.2
309	S	26.2	Very low	27.1	Very low	120 Å²	120	146 Å²	146	84%	0.839	82%	0.82	S	S	*	*			trans	-58.6	130.4	132.4	43.6	0	0	0	0	111.5
310	T	29.9	Very low	27	Very low	131 Å²	131	152 Å²	152	80%	0.804	83%	0.828	S	S	*	*			trans	-127.8	108	151.2	50.1	0	0	0	0	106.9
311	A	24.9	Very low	27.4	Very low	103 Å²	103	149.1 Å²	149.1	85%	0.851	83%	0.833	S	S	*	*			trans	-75	134	163.5	0	0	0	0	0	108.4
312	A	29.7	Very low	27.6	Very low	100 Å²	100	151.3 Å²	151.3	83%	0.826	83%	0.833	S	S	*	*			trans	-136.7	107.2	157.8	0	0	0	0	0	106.1
313	D	27.2	Very low	27.8	Very low	146 Å²	146	154.3 Å²	154.3	78%	0.781	84%	0.844	S	S	*	*			trans	-57.2	139.1	163.4	-77.5	-48.3	0	0	0	109.6
314	D	33.2	Very low	27.9	Very low	171 Å²	171	150.5 Å²	150.5	91%	0.914	84%	0.844	S	S	*	*			trans	-146.6	119.9	140	-103.3	-28	0	0	0	109.7
315	S	29.7	Very low	28	Very low	112 Å²	112	150.2 Å²	150.2	78%	0.783	85%	0.846	S	S	*	*			trans	-86.7	124.7	-179.4	-64.6	0	0	0	0	109.4
316	A	30.9	Very low	28.3	Very low	104 Å²	104	145.6 Å²	145.6	86%	0.86	83%	0.834	S	S	*	*			trans	-135.2	86.6	159.2	0	0	0	0	0	109
317	A	27.7	Very low	28.5	Very low	97 Å²	97	149.5 Å²	149.5	80%	0.802	84%	0.838	S	S	*	*			trans	-79.1	122	163.8	0	0	0	0	0	108.4
318	N	31.6	Very low	28.7	Very low	171 Å²	171	148.6 Å²	148.6	91%	0.914	84%	0.835	S	S	*	*			trans	-149.2	125.5	159.7	-113	-11.5	0	0	0	111.9
319	G	27.4	Very low	29.3	Very low	71 Å²	71	145.8 Å²	145.8	73%	0.732	83%	0.831	S	S	*	*			trans	76.4	92.4	138.2	0	0	0	0	0	119.2	V321	G319-V321 PolarHBondContact O-N 2.92Å
320	R	24.2	Very low	30.2	Very low	252 Å²	252	141.4 Å²	141.4	95%	0.951	80%	0.8	S	S	*	*			trans	-56.4	125.1	154.9	-77.8	171.9	167.7	163.1	-3.8	111.3
321	V	30	Very low	31.7	Very low	144 Å²	144	138.7 Å²	138.7	87%	0.873	79%	0.786	S	S	*	*			trans	-142.7	148.3	145.6	-176	0	0	0	0	110.1	G319	G319-V321 PolarHBondContact O-N 2.92Å
322	R	28.3	Very low	33.5	Very low	240 Å²	240	142.1 Å²	142.1	91%	0.906	79%	0.785	S	S	*	*			trans	-65.7	137.7	-157.4	-67.9	164.7	169.2	164.6	-4.9	114.7	A324	R322-A324 PolarHBondContact O-N 2.82Å
323	K	27.4	Very low	34.8	Very low	219 Å²	219	139.5 Å²	139.5	95%	0.952	76%	0.763	S	S	*	*			trans	-61.2	120.5	172.1	-72.3	175	174	177.9	0	111.2
324	A	29.9	Very low	36.4	Very low	101 Å²	101	138.5 Å²	138.5	84%	0.835	75%	0.75	S	S	*	*			trans	-114.4	151.3	165.9	0	0	0	0	0	110.2	R322	R322-A324 PolarHBondContact O-N 2.82Å
325	C	28.7	Very low	37.8	Very low	112 Å²	112	135.3 Å²	135.3	76%	0.757	73%	0.729	S	S	*	*			trans	-54.8	138.4	-160.5	-154.5	0	0	0	0	115.8	R327	C325-R327 PolarHBondContact O-N 3.38Å
326	S	30.8	Very low	39.5	Very low	91 Å²	91	131.5 Å²	131.5	64%	0.636	70%	0.702	S	S	*	*			trans	-68.2	85.2	-179.9	67.7	0	0	0	0	112.4	R747	S326-R747 PolarHBondContact OG-NH2 3.18Å
327	R	29.2	Very low	41.4	Very low	224 Å²	224	128.3 Å²	128.3	85%	0.845	67%	0.67	S	S	*	*			trans	-72	147.4	152.5	-109.7	172.7	-174.9	143.5	2.1	107.9	C325 Q329	C325-R327 PolarHBondContact O-N 3.38Å; R327-Q329 PolarHBondContact O-N 3.04Å
328	F	32	Very low	43.5	Very low	184 Å²	184	130.3 Å²	130.3	81%	0.807	66%	0.657	S	S	*	*			trans	-28.1	111.9	168.8	179.5	-99.2	0	0	0	109.8	P330	F328-P330 VanDerWaalsContact C-CD 3.5Å; F328-P330 WeakPolarHBondContact O-CD 3.26Å
329	Q	37	Very low	45.3	Very low	169 Å²	169	127.9 Å²	127.9	79%	0.79	64%	0.639	S	S	*	*			trans	-85.4	101.9	174.7	-84.2	-167.9	-37.1	0	0	106.2	R327	R327-Q329 PolarHBondContact O-N 3.04Å
330	P	43.5	Very low	47.4	Very low	27 Å²	27	124.7 Å²	124.7	18%	0.175	61%	0.606	C	S	.	*			trans	-49.2	149.1	160.1	11.6	-20.3	0	0	0	110	F328 Y334 E335	F328-P330 VanDerWaalsContact C-CD 3.5Å; F328-P330 WeakPolarHBondContact O-CD 3.26Å; P330-Y334 HydrophobicContact CB-CD1 3.08Å; P330-Y334 HydrophobicContact CB-CE1 3.85Å; P330-Y334 HydrophobicContact CB-CG 3.56Å; P330-Y334 HydrophobicContact CG-CD1 3.71Å; P330-Y334 HydrophobicContact CG-CE1 4.16Å; P330-E335 HydrophobicContact CB-CG 4.15Å; P330-E335 HydrophobicContact CG-CG 3.72Å
331	S	61.9	Low	49.8	Very low	75 Å²	75	116.4 Å²	116.4	52%	0.524	58%	0.578	S	S	.	*			trans	-55	150.8	171.7	59.1	0	0	0	0	109.4	A333 Y334 E335	S331-A333 PolarHBondContact O-N 2.74Å; S331-Y334 WeakPolarHBondContact O-CA 3.38Å; S331-Y334 WeakPolarHBondContact O-CB 3.35Å; S331-Y334 PolarHBondContact O-N 3.19Å; S331-Y334 PolarHBondContact OG-N 2.85Å; S331-E335 PolarHBondContact O-N 2.87Å
332	E	63.6	Low	51.9	Low	174 Å²	174	116.7 Å²	116.7	81%	0.813	56%	0.563	S	S	*	*	H	α-helix	trans	-53.4	-30.2	175.7	-66.9	-178.6	166.1	0	0	111.6	E335 S336	E332-E335 PolarHBondContact O-N 3.25Å; E332-S336 WeakPolarHBondContact O-CB 3.42Å; E332-S336 PolarHBondContact O-N 3.26Å
333	A	56.9	Low	53.9	Low	46 Å²	46	106.4 Å²	106.4	38%	0.38	53%	0.528	S	S	.	.	H	α-helix	trans	-61.9	-42.8	171.4	0	0	0	0	0	112.9	F162 S331 S336 H337	F162-A333 HydrophobicContact CD2-CB 4.04Å; F162-A333 HydrophobicContact CE2-CB 4.32Å; F162-A333 WeakPolarHBondContact CE2-O 3.41Å; S331-A333 PolarHBondContact O-N 2.74Å; A333-S336 PolarHBondContact O-N 3.07Å; A333-H337 WeakPolarHBondContact O-CB 3.46Å; A333-H337 PolarHBondContact O-N 3Å
334	Y	60.7	Low	56.1	Low	125 Å²	125	96.9 Å²	96.9	49%	0.49	49%	0.488	S	S	.	.	H	α-helix	trans	-70.3	-37.4	177	-179.5	-77.5	0	0	0	112.3	P330 S331 H337 R338	P330-Y334 HydrophobicContact CB-CD1 3.08Å; P330-Y334 HydrophobicContact CB-CE1 3.85Å; P330-Y334 HydrophobicContact CB-CG 3.56Å; P330-Y334 HydrophobicContact CG-CD1 3.71Å; P330-Y334 HydrophobicContact CG-CE1 4.16Å; S331-Y334 WeakPolarHBondContact O-CA 3.38Å; S331-Y334 WeakPolarHBondContact O-CB 3.35Å; S331-Y334 PolarHBondContact O-N 3.19Å; S331-Y334 PolarHBondContact OG-N 2.85Å; Y334-H337 PolarHBondContact O-N 3.29Å; Y334-R338 PolarHBondContact O-N 2.9Å
335	E	61.5	Low	58.3	Low	104 Å²	104	95.4 Å²	95.4	49%	0.486	47%	0.472	S	S	.	.	H	α-helix	trans	-65.2	-41.8	174.1	-67.8	-170.7	166.3	0	0	111.6	P330 S331 E332 H337 R338 Q339	P330-E335 HydrophobicContact CB-CG 4.15Å; P330-E335 HydrophobicContact CG-CG 3.72Å; S331-E335 PolarHBondContact O-N 2.87Å; E332-E335 PolarHBondContact O-N 3.25Å; E335-H337 VanDerWaalsContact C-N 3.3Å; E335-H337 PolarHBondContact O-N 2.88Å; E335-R338 PolarHBondContact O-N 3.25Å; E335-Q339 PolarHBondContact O-N 2.8Å; E335-Q339 VanDerWaalsContact O-N 3.1Å
336	S	66.9	Low	60.6	Low	32 Å²	32	94.8 Å²	94.8	22%	0.224	46%	0.461	C	S	.	.	H	α-helix	trans	-60.5	-38.9	174	-174.8	0	0	0	0	112.5	K233 E332 A333 Q339 S340	K233-S336 PolarHBondContact NZ-O 2.99Å; K233-S336 PolarHBondContact NZ-OG 3.44Å; E332-S336 WeakPolarHBondContact O-CB 3.42Å; E332-S336 PolarHBondContact O-N 3.26Å; A333-S336 PolarHBondContact O-N 3.07Å; S336-Q339 PolarHBondContact O-N 3.35Å; S336-S340 PolarHBondContact O-N 3.06Å; S336-S340 VanDerWaalsContact O-N 3.1Å; S336-S340 PolarHBondContact O-OG 2.87Å
337	H	70	Confident	62.9	Low	37 Å²	37	90.8 Å²	90.8	17%	0.171	43%	0.433	C	S	.	.	H	α-helix	trans	-64.8	-41.2	175.2	174.5	43.5	0	0	0	112.2	T165 E166 A333 Y334 E335 Q339 S340 E341	T165-H337 WeakPolarHBondContact CG2-CE1 3.4Å; T165-H337 WeakPolarHBondContact CG2-ND1 3.41Å; E166-H337 IonicContact OE1-ND1 3.38Å; A333-H337 WeakPolarHBondContact O-CB 3.46Å; A333-H337 PolarHBondContact O-N 3Å; Y334-H337 PolarHBondContact O-N 3.29Å; E335-H337 VanDerWaalsContact C-N 3.3Å; E335-H337 PolarHBondContact O-N 2.88Å; H337-Q339 PolarHBondContact O-N 2.95Å; H337-S340 WeakPolarHBondContact CA-OG 3.44Å; H337-S340 PolarHBondContact O-N 3.41Å; H337-S340 PolarHBondContact O-OG 3.08Å; H337-E341 VanDerWaalsContact CE1-CG 3.48Å; H337-E341 WeakPolarHBondContact CE1-CG 3.47Å; H337-E341 IonicContact CE1-OE1 2.71Å; H337-E341 PolarHBondContact CE1-OE1 2.9Å; H337-E341 IonicContact NE2-OE1 3.07Å; H337-E341 PolarHBondContact NE2-OE1 3.46Å; H337-E341 PolarHBondContact O-N 2.77Å
338	R	71.2	Confident	65.2	Low	139 Å²	139	82.1 Å²	82.1	53%	0.525	41%	0.409	S	S	.	.	H	α-helix	trans	-65.2	-31.3	177	-157.5	-176.6	-169.6	165.7	4.4	112.2	Y334 E335 R342	Y334-R338 PolarHBondContact O-N 2.9Å; E335-R338 PolarHBondContact O-N 3.25Å; R338-R342 WeakPolarHBondContact O-CG 3.46Å; R338-R342 PolarHBondContact O-N 3.29Å
339	Q	70.4	Confident	67.4	Low	119 Å²	119	79.1 Å²	79.1	56%	0.556	40%	0.397	S	S	*	.	H	α-helix	trans	-70.1	-41.5	175.1	-169.7	171.8	2.8	0	0	111.6	E335 S336 H337 R342 T343	E335-Q339 PolarHBondContact O-N 2.8Å; E335-Q339 VanDerWaalsContact O-N 3.1Å; S336-Q339 PolarHBondContact O-N 3.35Å; H337-Q339 PolarHBondContact O-N 2.95Å; Q339-R342 PolarHBondContact O-N 3.14Å; Q339-T343 PolarHBondContact O-N 2.85Å; Q339-T343 PolarHBondContact O-OG1 3.34Å
340	S	70.6	Confident	69.3	Low	5 Å²	5	72.2 Å²	72.2	4%	0.035	37%	0.369	C	S	.	.	H	α-helix	trans	-65.1	-40.7	176.4	43.8	0	0	0	0	112.7	E166 I169 K233 S336 H337 R342 T343 C344	E166-S340 WeakPolarHBondContact OE1-CB 3.37Å; E166-S340 PolarHBondContact OE1-OG 2.64Å; E166-S340 WeakPolarHBondContact OE2-CB 3.4Å; E166-S340 PolarHBondContact OE2-OG 2.86Å; I169-S340 WeakPolarHBondContact CD1-OG 3.45Å; K233-S340 VanDerWaalsContact NZ-CB 3.3Å; K233-S340 PolarHBondContact NZ-OG 2.92Å; S336-S340 PolarHBondContact O-N 3.06Å; S336-S340 VanDerWaalsContact O-N 3.1Å; S336-S340 PolarHBondContact O-OG 2.87Å; H337-S340 WeakPolarHBondContact CA-OG 3.44Å; H337-S340 PolarHBondContact O-N 3.41Å; H337-S340 PolarHBondContact O-OG 3.08Å; S340-R342 VanDerWaalsContact C-N 3.3Å; S340-R342 PolarHBondContact O-N 3.49Å; S340-T343 WeakPolarHBondContact CA-OG1 3.46Å; S340-T343 PolarHBondContact O-N 3.36Å; S340-T343 PolarHBondContact O-OG1 3.04Å; S340-C344 WeakPolarHBondContact O-CB 3.33Å; S340-C344 PolarHBondContact O-N 3.03Å
341	E	74.4	Confident	71	Confident	77 Å²	77	71.7 Å²	71.7	36%	0.36	37%	0.365	S	S	.	.	H	α-helix	trans	-62.5	-36.9	176.6	-71.9	-168.4	148.6	0	0	112.9	I169 H337 C344 S345	I169-E341 HydrophobicContact CD1-CG 3.66Å; I169-E341 HydrophobicContact CG1-CG 4.45Å; H337-E341 VanDerWaalsContact CE1-CG 3.48Å; H337-E341 WeakPolarHBondContact CE1-CG 3.47Å; H337-E341 IonicContact CE1-OE1 2.71Å; H337-E341 PolarHBondContact CE1-OE1 2.9Å; H337-E341 IonicContact NE2-OE1 3.07Å; H337-E341 PolarHBondContact NE2-OE1 3.46Å; H337-E341 PolarHBondContact O-N 2.77Å; E341-C344 PolarHBondContact O-N 3.22Å; E341-S345 PolarHBondContact O-N 3.16Å; E341-S345 PolarHBondContact O-OG 3.2Å
342	R	75.4	Confident	71.6	Confident	150 Å²	150	71.4 Å²	71.4	57%	0.566	37%	0.367	S	S	*	.	H	α-helix	trans	-65.1	-52	174.2	-74.2	175.2	-180	-165.8	-1.8	111.2	R338 Q339 S340 C344 S345 D346	R338-R342 WeakPolarHBondContact O-CG 3.46Å; R338-R342 PolarHBondContact O-N 3.29Å; Q339-R342 PolarHBondContact O-N 3.14Å; S340-R342 VanDerWaalsContact C-N 3.3Å; S340-R342 PolarHBondContact O-N 3.49Å; R342-C344 PolarHBondContact O-N 3.06Å; R342-S345 WeakPolarHBondContact O-CB 3.41Å; R342-S345 PolarHBondContact O-N 3.45Å; R342-D346 PolarHBondContact O-N 3.18Å
343	T	69.8	Low	72.2	Confident	25 Å²	25	68.6 Å²	68.6	15%	0.153	36%	0.357	C	S	.	.	H	α-helix	trans	-58.3	-35.3	177.6	53.9	0	0	0	0	112.3	M230 Q339 S340 V347	M230-T343 HydrophobicContact CG-CG2 4.41Å; Q339-T343 PolarHBondContact O-N 2.85Å; Q339-T343 PolarHBondContact O-OG1 3.34Å; S340-T343 WeakPolarHBondContact CA-OG1 3.46Å; S340-T343 PolarHBondContact O-N 3.36Å; S340-T343 PolarHBondContact O-OG1 3.04Å; T343-V347 VanDerWaalsContact O-CG2 3.27Å; T343-V347 WeakPolarHBondContact O-CG2 3.36Å; T343-V347 PolarHBondContact O-N 2.96Å
344	C	73.7	Confident	73.3	Confident	18 Å²	18	66.7 Å²	66.7	12%	0.122	34%	0.341	C	S	.	.	H	α-helix	trans	-65.6	-41.5	174.7	-175.4	0	0	0	0	112.6	I169 V173 S340 E341 R342 A348	I169-C344 HydrophobicContact CG2-CB 3.64Å; V173-C344 HydrophobicContact CG2-CB 3.9Å; V173-C344 VanDerWaalsContact CG2-SG 3.59Å; S340-C344 WeakPolarHBondContact O-CB 3.33Å; S340-C344 PolarHBondContact O-N 3.03Å; E341-C344 PolarHBondContact O-N 3.22Å; R342-C344 PolarHBondContact O-N 3.06Å; C344-A348 WeakPolarHBondContact O-CB 3.41Å; C344-A348 PolarHBondContact O-N 3.44Å
345	S	76.1	Confident	74.1	Confident	70 Å²	70	62.2 Å²	62.2	49%	0.49	33%	0.328	S	S	.	.	H	α-helix	trans	-67.7	-42.5	178	-55.7	0	0	0	0	110.8	E341 R342 V347 A348 E349	E341-S345 PolarHBondContact O-N 3.16Å; E341-S345 PolarHBondContact O-OG 3.2Å; R342-S345 WeakPolarHBondContact O-CB 3.41Å; R342-S345 PolarHBondContact O-N 3.45Å; S345-V347 VanDerWaalsContact C-N 3.34Å; S345-V347 PolarHBondContact O-N 3.23Å; S345-A348 PolarHBondContact O-N 3.26Å; S345-E349 WeakPolarHBondContact O-CB 3.41Å; S345-E349 PolarHBondContact O-N 3.33Å
346	D	78	Confident	74.9	Confident	99 Å²	99	57.6 Å²	57.6	53%	0.529	31%	0.306	S	S	.	.	H	α-helix	trans	-62.2	-41.8	177.8	-60.4	-21.8	0	0	0	111.2	R342 A350	R342-D346 PolarHBondContact O-N 3.18Å; D346-A350 WeakPolarHBondContact O-CB 3.25Å; D346-A350 PolarHBondContact O-N 2.93Å
347	V	78.5	Confident	75	Confident	8 Å²	8	58.9 Å²	58.9	5%	0.048	31%	0.312	C	S	.	.	H	α-helix	trans	-65.4	-46.2	173.9	172.4	0	0	0	0	111	V173 F177 T343 S345 E349 A350 M351	V173-V347 HydrophobicContact CG1-CG1 4.22Å; F177-V347 HydrophobicContact CD1-CG1 4.38Å; F177-V347 HydrophobicContact CE1-CG1 3.6Å; F177-V347 HydrophobicContact CE2-CG1 4.41Å; F177-V347 HydrophobicContact CZ-CG1 3.62Å; F177-V347 HydrophobicContact CZ-CG2 4.3Å; T343-V347 VanDerWaalsContact O-CG2 3.27Å; T343-V347 WeakPolarHBondContact O-CG2 3.36Å; T343-V347 PolarHBondContact O-N 2.96Å; S345-V347 VanDerWaalsContact C-N 3.34Å; S345-V347 PolarHBondContact O-N 3.23Å; V347-E349 VanDerWaalsContact C-N 3.31Å; V347-E349 PolarHBondContact O-N 3.21Å; V347-A350 PolarHBondContact O-N 3.48Å; V347-M351 HydrophobicContact CG1-CG 4.29Å; V347-M351 VanDerWaalsContact O-CG 3.25Å; V347-M351 WeakPolarHBondContact O-CG 3.27Å; V347-M351 PolarHBondContact O-N 3.25Å
348	A	77.1	Confident	74.8	Confident	41 Å²	41	58.2 Å²	58.2	34%	0.339	32%	0.315	S	S	.	.	H	α-helix	trans	-61.6	-39.7	179.2	0	0	0	0	0	112.1	C344 S345 A352	C344-A348 WeakPolarHBondContact O-CB 3.41Å; C344-A348 PolarHBondContact O-N 3.44Å; S345-A348 PolarHBondContact O-N 3.26Å; A348-A352 VanDerWaalsContact O-CB 3.26Å; A348-A352 WeakPolarHBondContact O-CB 3.33Å; A348-A352 PolarHBondContact O-N 3.03Å
349	E	79.2	Confident	74.2	Confident	121 Å²	121	51.6 Å²	51.6	57%	0.565	29%	0.29	S	S	*	.	H	α-helix	trans	-68.4	-42.7	176.4	-174.7	172.7	-175.7	0	0	111.8	S345 V347 M351 A352 N353	S345-E349 WeakPolarHBondContact O-CB 3.41Å; S345-E349 PolarHBondContact O-N 3.33Å; V347-E349 VanDerWaalsContact C-N 3.31Å; V347-E349 PolarHBondContact O-N 3.21Å; E349-M351 VanDerWaalsContact C-N 3.33Å; E349-M351 PolarHBondContact O-N 3.03Å; E349-A352 PolarHBondContact O-N 3.46Å; E349-N353 WeakPolarHBondContact O-CB 3.36Å; E349-N353 PolarHBondContact O-N 3.4Å; E349-N353 PolarHBondContact O-ND2 3.31Å
350	A	76.6	Confident	73.5	Confident	25 Å²	25	50.3 Å²	50.3	21%	0.207	28%	0.284	C	S	.	.	H	α-helix	trans	-59	-44.2	174.9	0	0	0	0	0	111.7	H219 F223 D346 V347 N353 S354	H219-A350 PolarHBondContact CE1-O 2.78Å; H219-A350 PolarHBondContact NE2-O 2.89Å; F223-A350 HydrophobicContact CD2-CB 4.09Å; F223-A350 HydrophobicContact CE2-CB 3.73Å; D346-A350 WeakPolarHBondContact O-CB 3.25Å; D346-A350 PolarHBondContact O-N 2.93Å; V347-A350 PolarHBondContact O-N 3.48Å; A350-N353 PolarHBondContact O-N 2.88Å; A350-S354 PolarHBondContact O-N 2.94Å
351	M	78.2	Confident	72.8	Confident	16 Å²	16	59 Å²	59	8%	0.079	32%	0.316	C	S	.	.	H	α-helix	trans	-72.1	-35	178	-60.1	-65.4	100.8	0	0	112.3	F177 E180 F223 V347 E349 N353 S354 V357	F177-M351 HydrophobicContact CD1-SD 4.08Å; F177-M351 HydrophobicContact CE1-CE 4.47Å; F177-M351 HydrophobicContact CE1-SD 4.29Å; E180-M351 HydrophobicContact CB-SD 3.7Å; E180-M351 HydrophobicContact CG-SD 3.61Å; F223-M351 HydrophobicContact CD1-CE 4.09Å; F223-M351 HydrophobicContact CD2-CE 3.81Å; F223-M351 HydrophobicContact CE1-CE 3.79Å; F223-M351 HydrophobicContact CE2-CE 3.51Å; F223-M351 HydrophobicContact CG-CE 4.11Å; F223-M351 HydrophobicContact CZ-CE 3.51Å; V347-M351 HydrophobicContact CG1-CG 4.29Å; V347-M351 VanDerWaalsContact O-CG 3.25Å; V347-M351 WeakPolarHBondContact O-CG 3.27Å; V347-M351 PolarHBondContact O-N 3.25Å; E349-M351 VanDerWaalsContact C-N 3.33Å; E349-M351 PolarHBondContact O-N 3.03Å; M351-N353 VanDerWaalsContact C-N 3.26Å; M351-N353 PolarHBondContact O-N 3.38Å; M351-S354 WeakPolarHBondContact O-CB 3.48Å; M351-S354 PolarHBondContact O-N 2.94Å; M351-S354 VanDerWaalsContact O-N 3.08Å; M351-V357 WeakPolarHBondContact O-CG2 3.15Å
352	A	74.8	Confident	71.7	Confident	68 Å²	68	56.1 Å²	56.1	56%	0.562	30%	0.303	S	S	*	.	H	α-helix	trans	-66	-30.5	176.3	0	0	0	0	0	112.8	A348 E349	A348-A352 VanDerWaalsContact O-CB 3.26Å; A348-A352 WeakPolarHBondContact O-CB 3.33Å; A348-A352 PolarHBondContact O-N 3.03Å; E349-A352 PolarHBondContact O-N 3.46Å
353	N	77.2	Confident	70.4	Confident	115 Å²	115	51.1 Å²	51.1	62%	0.615	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	6.7	174.6	-67.4	-33.1	0	0	0	113	E349 A350 M351	E349-N353 WeakPolarHBondContact O-CB 3.36Å; E349-N353 PolarHBondContact O-N 3.4Å; E349-N353 PolarHBondContact O-ND2 3.31Å; A350-N353 PolarHBondContact O-N 2.88Å; M351-N353 VanDerWaalsContact C-N 3.26Å; M351-N353 PolarHBondContact O-N 3.38Å
354	S	78.8	Confident	69	Low	7 Å²	7	57 Å²	57	5%	0.049	32%	0.319	C	S	.	.			trans	-68.7	136.6	178.1	177.6	0	0	0	0	111.5	E180 A350 M351 W356 V357	E180-S354 WeakPolarHBondContact OE1-CB 3.49Å; E180-S354 PolarHBondContact OE1-OG 2.94Å; A350-S354 PolarHBondContact O-N 2.94Å; M351-S354 WeakPolarHBondContact O-CB 3.48Å; M351-S354 PolarHBondContact O-N 2.94Å; M351-S354 VanDerWaalsContact O-N 3.08Å; S354-W356 PolarHBondContact O-N 2.85Å; S354-W356 VanDerWaalsContact O-N 3.08Å; S354-W356 PolarHBondContact OG-N 3.01Å; S354-V357 WeakPolarHBondContact O-CG2 3.35Å; S354-V357 PolarHBondContact O-N 2.98Å
355	P	78.6	Confident	67.4	Low	31 Å²	31	59.4 Å²	59.4	20%	0.201	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-57.6	-22.7	174.1	-24.8	35.7	0	0	0	113.6	M212 E215	M212-P355 HydrophobicContact CG-CB 4.12Å; E215-P355 HydrophobicContact CB-CB 4.13Å; E215-P355 HydrophobicContact CB-CG 3.64Å
356	W	77.4	Confident	65.5	Low	6 Å²	6	60 Å²	60	2%	0.023	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-79.1	-14.9	-174.9	-51.6	109.8	0	0	0	114.1	E180 N183 I184 A187 M212 F213 S354 G358 V359	E180-W356 WeakPolarHBondContact OE1-CB 3.23Å; N183-W356 HydrophobicContact CB-CB 3.91Å; I184-W356 HydrophobicContact CG1-CB 4.32Å; I184-W356 HydrophobicContact CG1-CD2 3.98Å; I184-W356 HydrophobicContact CG1-CG 3.71Å; A187-W356 HydrophobicContact CB-CE3 3.48Å; A187-W356 VanDerWaalsContact CB-CE3 3.48Å; A187-W356 HydrophobicContact CB-CZ3 3.43Å; A187-W356 VanDerWaalsContact CB-CZ3 3.43Å; M212-W356 HydrophobicContact CE-CE3 3.84Å; M212-W356 HydrophobicContact CE-CZ3 3.73Å; M212-W356 HydrophobicContact CG-CE3 3.95Å; M212-W356 HydrophobicContact CG-CZ3 4.19Å; M212-W356 HydrophobicContact SD-CE3 3.94Å; M212-W356 HydrophobicContact SD-CZ3 4.36Å; F213-W356 HydrophobicContact CB-CH2 4.16Å; F213-W356 AromaticContact CD1-CH2 3.59Å; F213-W356 HydrophobicContact CD1-CH2 3.59Å; F213-W356 HydrophobicContact CD1-CZ3 4.31Å; F213-W356 AromaticContact CD2-CH2 3.52Å; F213-W356 HydrophobicContact CD2-CH2 3.52Å; F213-W356 AromaticContact CD2-CZ3 3.5Å; F213-W356 HydrophobicContact CD2-CZ3 3.5Å; F213-W356 AromaticContact CE1-CH2 3.73Å; F213-W356 HydrophobicContact CE1-CH2 3.73Å; F213-W356 HydrophobicContact CE1-CZ3 4.18Å; F213-W356 AromaticContact CE2-CH2 3.7Å; F213-W356 HydrophobicContact CE2-CH2 3.7Å; F213-W356 AromaticContact CE2-CZ3 3.39Å; F213-W356 HydrophobicContact CE2-CZ3 3.39Å; F213-W356 AromaticContact CG-CH2 3.48Å; F213-W356 HydrophobicContact CG-CH2 3.48Å; F213-W356 VanDerWaalsContact CG-CH2 3.48Å; F213-W356 AromaticContact CG-CZ3 4Å; F213-W356 HydrophobicContact CG-CZ3 4Å; F213-W356 AromaticContact CZ-CH2 3.79Å; F213-W356 HydrophobicContact CZ-CH2 3.79Å; F213-W356 AromaticContact CZ-CZ3 3.74Å; F213-W356 HydrophobicContact CZ-CZ3 3.74Å; S354-W356 PolarHBondContact O-N 2.85Å; S354-W356 VanDerWaalsContact O-N 3.08Å; S354-W356 PolarHBondContact OG-N 3.01Å; W356-G358 PolarHBondContact O-N 3.32Å; W356-G358 VanDerWaalsContact O-N 3.11Å; W356-V359 HydrophobicContact CB-CG2 4.37Å; W356-V359 HydrophobicContact CE3-CG2 4.2Å; W356-V359 WeakPolarHBondContact O-CB 3.34Å; W356-V359 WeakPolarHBondContact O-CG2 3.3Å; W356-V359 PolarHBondContact O-N 2.87Å; W356-V359 VanDerWaalsContact O-N 3.14Å
357	V	69.9	Low	63.5	Low	60 Å²	60	60.9 Å²	60.9	36%	0.364	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-60	-26.5	177.9	178.8	0	0	0	0	111.6	M351 S354	M351-V357 WeakPolarHBondContact O-CG2 3.15Å; S354-V357 WeakPolarHBondContact O-CG2 3.35Å; S354-V357 PolarHBondContact O-N 2.98Å
358	G	64.2	Low	61.2	Low	22 Å²	22	69 Å²	69	23%	0.227	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-81.4	-5.6	-179.4	0	0	0	0	0	115.9	W356 H360 R361 I362	W356-G358 PolarHBondContact O-N 3.32Å; W356-G358 VanDerWaalsContact O-N 3.11Å; G358-H360 VanDerWaalsContact C-N 3.26Å; G358-H360 PolarHBondContact O-N 3.49Å; G358-H360 VanDerWaalsContact O-N 3.15Å; G358-R361 WeakPolarHBondContact O-CB 3.36Å; G358-R361 PolarHBondContact O-N 3.05Å; G358-I362 PolarHBondContact O-N 3.44Å
359	V	58.5	Low	58.9	Low	0 Å²	0	70.8 Å²	70.8	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-56	-40.6	-171	174.5	0	0	0	0	111.8	E186 A187 R190 M212 W356	E186-V359 HydrophobicContact CG-CG1 4.42Å; A187-V359 HydrophobicContact CB-CG1 4.1Å; A187-V359 HydrophobicContact CB-CG2 3.65Å; R190-V359 PolarHBondContact NH1-O 2.97Å; M212-V359 HydrophobicContact CE-CG2 3.87Å; M212-V359 HydrophobicContact SD-CG2 3.51Å; M212-V359 VanDerWaalsContact SD-CG2 3.51Å; W356-V359 HydrophobicContact CB-CG2 4.37Å; W356-V359 HydrophobicContact CE3-CG2 4.2Å; W356-V359 WeakPolarHBondContact O-CB 3.34Å; W356-V359 WeakPolarHBondContact O-CG2 3.3Å; W356-V359 PolarHBondContact O-N 2.87Å; W356-V359 VanDerWaalsContact O-N 3.14Å
360	H	57.2	Low	56.4	Low	93 Å²	93	68.5 Å²	68.5	43%	0.431	40%	0.399	S	S	.	.	H	α-helix	trans	-70.3	-31.5	176.3	-65.9	-74	0	0	0	113.9	E186 G358 I362 A363	E186-H360 VanDerWaalsContact CD-CE1 3.43Å; E186-H360 IonicContact OE1-CE1 3.41Å; E186-H360 PolarHBondContact OE1-CE1 3.23Å; E186-H360 IonicContact OE1-ND1 2.89Å; E186-H360 IonicContact OE2-CE1 2.84Å; E186-H360 PolarHBondContact OE2-CE1 3.41Å; E186-H360 IonicContact OE2-ND1 3.56Å; E186-H360 IonicContact OE2-NE2 2.82Å; E186-H360 PolarHBondContact OE2-NE2 3.33Å; G358-H360 VanDerWaalsContact C-N 3.26Å; G358-H360 PolarHBondContact O-N 3.49Å; G358-H360 VanDerWaalsContact O-N 3.15Å; H360-I362 VanDerWaalsContact C-N 3.28Å; H360-I362 PolarHBondContact O-N 3.24Å; H360-A363 PolarHBondContact O-N 3.29Å
361	R	54.2	Low	53.9	Low	187 Å²	187	74 Å²	74	71%	0.706	43%	0.43	S	S	*	.	H	α-helix	trans	-67.7	-30.9	-178.4	-65.1	-170.5	-168.1	165.7	5.8	112.2	G358 A363 H364 A365	G358-R361 WeakPolarHBondContact O-CB 3.36Å; G358-R361 PolarHBondContact O-N 3.05Å; R361-A363 PolarHBondContact O-N 3.09Å; R361-H364 PolarHBondContact O-N 3.05Å; R361-A365 WeakPolarHBondContact O-CB 3.37Å; R361-A365 PolarHBondContact O-N 2.97Å
362	I	52.3	Low	51.5	Low	16 Å²	16	78.8 Å²	78.8	8%	0.082	46%	0.463	C	S	.	.	H	α-helix	trans	-59.9	-35	178.6	-55.5	159.3	0	0	0	110.7	E205 H208 Y209 M212 G358 H360 H364	E205-I362 HydrophobicContact CG-CG2 4.11Å; H208-I362 WeakPolarHBondContact CD2-CD1 3.48Å; Y209-I362 HydrophobicContact CD2-CD1 4.3Å; Y209-I362 HydrophobicContact CE2-CD1 3.83Å; Y209-I362 HydrophobicContact CE2-CG2 3.96Å; M212-I362 HydrophobicContact CE-CD1 4.49Å; M212-I362 HydrophobicContact SD-CD1 4.23Å; G358-I362 PolarHBondContact O-N 3.44Å; H360-I362 VanDerWaalsContact C-N 3.28Å; H360-I362 PolarHBondContact O-N 3.24Å; I362-H364 VanDerWaalsContact C-N 3.29Å; I362-H364 PolarHBondContact O-N 2.89Å
363	A	47.3	Very low	49.2	Very low	45 Å²	45	86.6 Å²	86.6	37%	0.372	48%	0.478	S	S	.	.	H	α-helix	trans	-70.1	-23.7	178.4	0	0	0	0	0	113.6	H360 R361	H360-A363 PolarHBondContact O-N 3.29Å; R361-A363 PolarHBondContact O-N 3.09Å
364	H	41.3	Very low	46.8	Very low	148 Å²	148	90.1 Å²	90.1	69%	0.685	49%	0.491	S	S	*	.	H	α-helix	trans	-100.8	-32.9	-179.1	-87.3	-80.2	0	0	0	113.7	R361 I362 L366 N367	R361-H364 PolarHBondContact O-N 3.05Å; I362-H364 VanDerWaalsContact C-N 3.29Å; I362-H364 PolarHBondContact O-N 2.89Å; H364-L366 PolarHBondContact O-N 2.85Å; H364-L366 VanDerWaalsContact O-N 3.12Å; H364-N367 PolarHBondContact O-N 2.87Å; H364-N367 VanDerWaalsContact O-N 3.1Å
365	A	39.2	Very low	44.5	Very low	70 Å²	70	96.6 Å²	96.6	58%	0.579	53%	0.525	S	S	*	.	H	α-helix	trans	-64.1	-20.6	-175.6	0	0	0	0	0	113.5	R361	R361-A365 WeakPolarHBondContact O-CB 3.37Å; R361-A365 PolarHBondContact O-N 2.97Å
366	L	37.1	Very low	42.1	Very low	83 Å²	83	102.5 Å²	102.5	44%	0.435	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.2	-5.1	178.3	-71.1	165.5	0	0	0	114.3	E205 H364	E205-L366 HydrophobicContact CG-CD1 3.13Å; E205-L366 WeakPolarHBondContact OE1-CD1 3.42Å; H364-L366 PolarHBondContact O-N 2.85Å; H364-L366 VanDerWaalsContact O-N 3.12Å
367	N	35.1	Very low	39.6	Very low	117 Å²	117	107.1 Å²	107.1	63%	0.626	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-94.8	1.5	176.6	-130.6	17.4	0	0	0	113.7	H364 G369	H364-N367 PolarHBondContact O-N 2.87Å; H364-N367 VanDerWaalsContact O-N 3.1Å; N367-G369 PolarHBondContact O-N 3.36Å
368	E	31.5	Very low	37.6	Very low	179 Å²	179	113 Å²	113	84%	0.836	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-77.5	1.1	172.3	-68	-168.4	168.9	0	0	113.4
369	G	27.9	Very low	35.7	Very low	78 Å²	78	117.9 Å²	117.9	80%	0.804	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-83.1	-11.6	176.5	0	0	0	0	0	115.9	N367	N367-G369 PolarHBondContact O-N 3.36Å
370	S	26.1	Very low	34.3	Very low	72 Å²	72	123.2 Å²	123.2	50%	0.503	68%	0.683	S	S	.	*	S	Bend	trans	-118	101.7	-179.7	61.2	0	0	0	0	111	P372	S370-P372 WeakPolarHBondContact O-CD 3.49Å; S370-P372 VanDerWaalsContact O-N 3.15Å
371	T	24.7	Very low	32.7	Very low	140 Å²	140	127 Å²	127	86%	0.859	71%	0.706	S	S	*	*			trans	-47.9	113	165.3	51.5	0	0	0	0	110.6
372	P	28.7	Very low	31.5	Very low	118 Å²	118	123 Å²	123	77%	0.766	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-85.9	128.2	164.5	3.1	18	0	0	0	107.1	S370 E374	S370-P372 WeakPolarHBondContact O-CD 3.49Å; S370-P372 VanDerWaalsContact O-N 3.15Å; P372-E374 PolarHBondContact O-N 3.24Å
373	R	26.4	Very low	30.2	Very low	232 Å²	232	128 Å²	128	88%	0.875	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-52.9	132.8	169.6	-71.7	172.4	171.4	170	-4.1	109.2	D375	R373-D375 PolarHBondContact O-N 3.37Å
374	E	25.4	Very low	29.3	Very low	188 Å²	188	134.5 Å²	134.5	88%	0.879	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-50.4	117.2	161.2	-61.9	173.1	153.2	0	0	108	P372	P372-E374 PolarHBondContact O-N 3.24Å
375	D	30.8	Very low	28.5	Very low	143 Å²	143	132.2 Å²	132.2	77%	0.765	77%	0.773	S	S	*	*			trans	-155.9	113.5	152.3	-83.6	-36.8	0	0	0	107.7	R373	R373-D375 PolarHBondContact O-N 3.37Å
376	D	28	Very low	27.8	Very low	155 Å²	155	134.9 Å²	134.9	83%	0.829	79%	0.786	S	S	*	*			trans	59.5	103.6	154.1	-56.8	-32	0	0	0	121.1	E378	D376-E378 PolarHBondContact O-N 3.45Å
377	A	25.1	Very low	27.2	Very low	103 Å²	103	135.9 Å²	135.9	85%	0.851	80%	0.8	S	S	*	*			trans	-69	108	158.2	0	0	0	0	0	111.1
378	E	27.9	Very low	27	Very low	184 Å²	184	135.5 Å²	135.5	86%	0.86	81%	0.806	S	S	*	*			trans	-137	111.6	148.8	-79	-166.8	161.7	0	0	109.5	D376 P380	D376-E378 PolarHBondContact O-N 3.45Å; E378-P380 WeakPolarHBondContact O-CD 3.45Å
379	S	24.3	Very low	26.7	Very low	125 Å²	125	134.2 Å²	134.2	87%	0.874	81%	0.805	S	S	*	*			trans	-82.3	130.1	167.8	-48	0	0	0	0	108.9
380	P	29.2	Very low	26.8	Very low	112 Å²	112	134 Å²	134	73%	0.727	80%	0.803	S	S	*	*			trans	-128	121.5	143.9	30.1	-15.7	0	0	0	111.4	E378 S382	E378-P380 WeakPolarHBondContact O-CD 3.45Å; P380-S382 PolarHBondContact O-N 2.83Å
381	N	24.3	Very low	26.7	Very low	172 Å²	172	139.8 Å²	139.8	92%	0.92	82%	0.822	S	S	*	*			trans	-45.6	119.5	153.8	-101.2	-24.6	0	0	0	110.3
382	S	28.7	Very low	26.9	Very low	103 Å²	103	138.9 Å²	138.9	72%	0.72	82%	0.822	S	S	*	*			trans	-154.6	113.8	142.9	50.5	0	0	0	0	110.4	P380 E384	P380-S382 PolarHBondContact O-N 2.83Å; S382-E384 PolarHBondContact O-N 3.16Å
383	S	25.1	Very low	26.7	Very low	120 Å²	120	136.6 Å²	136.6	84%	0.839	82%	0.819	S	S	*	*			trans	-63.7	113.5	158.8	50.2	0	0	0	0	109.3
384	E	28.1	Very low	26.6	Very low	182 Å²	182	130.6 Å²	130.6	85%	0.85	81%	0.813	S	S	*	*			trans	-126.9	109.7	158.2	-76.9	-165.3	160.5	0	0	110	S382 C386	S382-E384 PolarHBondContact O-N 3.16Å; E384-C386 PolarHBondContact O-N 3.5Å
385	A	25.7	Very low	26.7	Very low	100 Å²	100	129.9 Å²	129.9	83%	0.826	81%	0.809	S	S	*	*			trans	-63.2	109	169.4	0	0	0	0	0	109	S387	A385-S387 PolarHBondContact O-N 2.8Å
386	C	24.9	Very low	26.6	Very low	126 Å²	126	133.4 Å²	133.4	85%	0.851	82%	0.818	S	S	*	*			trans	-82	87.3	173.9	-142	0	0	0	0	109.2	E384 S388	E384-C386 PolarHBondContact O-N 3.5Å; C386-S388 PolarHBondContact O-N 2.87Å
387	S	23.9	Very low	26.5	Very low	105 Å²	105	130 Å²	130	73%	0.734	81%	0.811	S	S	*	*			trans	-76.7	103.4	164.6	-175.8	0	0	0	0	108.2	A385	A385-S387 PolarHBondContact O-N 2.8Å
388	S	31.2	Very low	26.6	Very low	109 Å²	109	132.5 Å²	132.5	76%	0.762	81%	0.81	S	S	*	*			trans	-104.6	102	168.1	51.2	0	0	0	0	109.6	C386 G390	C386-S388 PolarHBondContact O-N 2.87Å; S388-G390 PolarHBondContact O-N 2.82Å
389	N	25.3	Very low	26.7	Very low	151 Å²	151	133.1 Å²	133.1	81%	0.807	81%	0.81	S	S	*	*			trans	-60.8	112	164.6	-90.8	-29.8	0	0	0	109.8
390	G	28.8	Very low	27	Very low	75 Å²	75	137.5 Å²	137.5	77%	0.773	81%	0.813	S	S	*	*			trans	-120.8	79.7	168.5	0	0	0	0	0	110.3	S388 S392	S388-G390 PolarHBondContact O-N 2.82Å; G390-S392 PolarHBondContact O-N 2.82Å
391	Q	24.4	Very low	26.8	Very low	192 Å²	192	137.1 Å²	137.1	90%	0.897	82%	0.82	S	S	*	*			trans	-75.3	114.2	165.8	-74.3	178.8	-22.8	0	0	108.9
392	S	28.6	Very low	27	Very low	122 Å²	122	134.4 Å²	134.4	85%	0.853	81%	0.814	S	S	*	*			trans	-142.7	109.8	157.6	64.9	0	0	0	0	108.9	G390	G390-S392 PolarHBondContact O-N 2.82Å
393	G	24.2	Very low	27	Very low	69 Å²	69	137 Å²	137	71%	0.711	82%	0.819	S	S	*	*			trans	-81.7	166.7	-176.6	0	0	0	0	0	114.3
394	S	24.2	Very low	27.2	Very low	106 Å²	106	139.4 Å²	139.4	74%	0.741	82%	0.821	S	S	*	*			trans	77.1	135.1	140.3	75.2	0	0	0	0	119.6
395	H	28.2	Very low	27.2	Very low	174 Å²	174	140.6 Å²	140.6	81%	0.806	82%	0.823	S	S	*	*			trans	78.3	91.2	162.3	-60.9	-70.7	0	0	0	118.3
396	K	29.5	Very low	27.5	Very low	217 Å²	217	144.5 Å²	144.5	94%	0.943	83%	0.827	S	S	*	*				-161.9	91.1	119.5	-103.3	163.5	-172.2	179.5	0	109.6
397	A	24.5	Very low	27.7	Very low	83 Å²	83	145.3 Å²	145.3	69%	0.686	82%	0.823	S	S	*	*			trans	-77.6	159.7	157.7	0	0	0	0	0	109.1
398	D	28.2	Very low	28	Very low	155 Å²	155	148.6 Å²	148.6	83%	0.829	83%	0.832	S	S	*	*			trans	97.7	123.1	168.1	-58.1	-30.2	0	0	0	118.7
399	K	29.7	Very low	28.1	Very low	197 Å²	197	151.7 Å²	151.7	86%	0.857	83%	0.834	S	S	*	*			trans	91.6	81	165.6	-56.5	-179.2	-178.9	178.7	0	116.9
400	K	30.4	Very low	28.7	Very low	217 Å²	217	153.1 Å²	153.1	94%	0.943	84%	0.836	S	S	*	*				-169	81.8	120.3	-103	169.1	-177.9	-178.1	0	109.8
401	A	25.9	Very low	29.4	Very low	105 Å²	105	154 Å²	154	87%	0.868	83%	0.83	S	S	*	*			trans	-97.3	100.2	162	0	0	0	0	0	107.6
402	S	28	Very low	30.4	Very low	114 Å²	114	151.2 Å²	151.2	80%	0.797	82%	0.822	S	S	*	*			trans	-176.7	142.2	143.9	-155.8	0	0	0	0	108.4
403	L	27.7	Very low	31.1	Very low	158 Å²	158	151.3 Å²	151.3	83%	0.827	81%	0.812	S	S	*	*	S	Bend	trans	84.5	68.8	171.2	-129	78.3	0	0	0	116.8
404	I	31.1	Very low	32.6	Very low	171 Å²	171	152.2 Å²	152.2	88%	0.877	81%	0.805	S	S	*	*			trans	-160.3	98.4	130.6	-82.2	134.1	0	0	0	105.5
405	K	27.7	Very low	33.9	Very low	206 Å²	206	152.4 Å²	152.4	90%	0.896	80%	0.797	S	S	*	*			trans	-128.1	86.6	163.2	-95.6	-169.9	176.1	-177.5	0	105.7
406	M	30.9	Very low	36	Very low	182 Å²	182	150.3 Å²	150.3	90%	0.897	79%	0.788	S	S	*	*	S	Bend	trans	-148.1	107.7	155.5	-72.8	-162.2	-173.6	0	0	108.7
407	N	28.8	Very low	37.9	Very low	144 Å²	144	146.3 Å²	146.3	77%	0.77	77%	0.772	S	S	*	*			trans	39	87	147.8	-84.2	6.8	0	0	0	118.5
408	N	32	Very low	39.7	Very low	173 Å²	173	147.2 Å²	147.2	93%	0.925	77%	0.765	S	S	*	*			trans	-115.9	77.9	146.8	-115.4	3.8	0	0	0	107
409	Q	32.4	Very low	41.8	Very low	175 Å²	175	144.6 Å²	144.6	82%	0.818	75%	0.751	S	S	*	*			trans	-155.6	74.5	175.4	-107.6	161.3	-1.8	0	0	107.1
410	Q	37.7	Very low	44.2	Very low	180 Å²	180	139.6 Å²	139.6	84%	0.841	73%	0.734	S	S	*	*	S	Bend	trans	-157.5	10.4	167.3	-117.2	172.5	24.3	0	0	115.2
411	S	44.3	Very low	46.2	Very low	93 Å²	93	137.5 Å²	137.5	65%	0.65	72%	0.72	S	S	*	*	S	Bend	trans	-107.8	-9.9	-177.3	61.5	0	0	0	0	116.4
412	D	43.8	Very low	48.5	Very low	135 Å²	135	136.1 Å²	136.1	72%	0.722	70%	0.697	S	S	*	*	S	Bend	trans	-96.9	-15.5	-174.9	-68.8	-3.4	0	0	0	113.5	T414	D412-T414 PolarHBondContact O-N 2.96Å
413	D	44.3	Very low	51.1	Low	123 Å²	123	132.7 Å²	132.7	66%	0.658	68%	0.676	S	S	*	*	H	α-helix	trans	-75.6	-18.8	-177.3	-71.5	-20.1	0	0	0	113.6	E417	D413-E417 PolarHBondContact O-N 2.54Å
414	T	55.8	Low	53.8	Low	89 Å²	89	129.8 Å²	129.8	55%	0.546	66%	0.661	S	S	.	*	H	α-helix	trans	-77.8	-32.6	-176.1	56.1	0	0	0	0	113.2	D412 L418	D412-T414 PolarHBondContact O-N 2.96Å; T414-L418 WeakPolarHBondContact O-CB 3.17Å; T414-L418 PolarHBondContact O-N 3.4Å; T414-L418 VanDerWaalsContact O-N 3.11Å
415	D	50.4	Low	56.1	Low	109 Å²	109	126.7 Å²	126.7	58%	0.583	65%	0.645	S	S	*	*	H	α-helix	trans	-76.7	-33	-178.6	-80.1	-3.1	0	0	0	111.7	N419	D415-N419 VanDerWaalsContact O-CB 3.26Å; D415-N419 WeakPolarHBondContact O-CB 3.33Å; D415-N419 VanDerWaalsContact O-CG 3.26Å; D415-N419 PolarHBondContact O-N 3.14Å; D415-N419 PolarHBondContact O-ND2 2.94Å
416	E	72.8	Confident	58.9	Low	130 Å²	130	125.8 Å²	125.8	61%	0.607	64%	0.636	S	S	*	*	H	α-helix	trans	-71.7	-38.6	176	-164.3	168.9	-167.5	0	0	111.7	N419 N420	E416-N419 PolarHBondContact O-N 2.85Å; E416-N420 WeakPolarHBondContact O-CB 3.24Å; E416-N420 PolarHBondContact O-N 3.13Å; E416-N420 PolarHBondContact O-ND2 3.43Å
417	E	69.4	Low	61.6	Low	133 Å²	133	124.1 Å²	124.1	62%	0.621	62%	0.624	S	S	*	*	H	α-helix	trans	-68.2	-39.2	176.7	-154.2	-177.7	-161.2	0	0	112	D413 N420 R421	D413-E417 PolarHBondContact O-N 2.54Å; E417-N420 PolarHBondContact O-N 3.05Å; E417-R421 PolarHBondContact O-N 2.91Å
418	L	63.5	Low	64.4	Low	102 Å²	102	122.6 Å²	122.6	53%	0.534	62%	0.616	S	S	.	*	H	α-helix	trans	-64.5	-45.5	173.7	-163.6	83.8	0	0	0	111.2	T414 N420 R421 I422	T414-L418 WeakPolarHBondContact O-CB 3.17Å; T414-L418 PolarHBondContact O-N 3.4Å; T414-L418 VanDerWaalsContact O-N 3.11Å; L418-N420 VanDerWaalsContact C-N 3.34Å; L418-N420 PolarHBondContact O-N 2.7Å; L418-R421 WeakPolarHBondContact O-CB 3.46Å; L418-R421 PolarHBondContact O-N 3.07Å; L418-I422 HydrophobicContact CD2-CD1 4.42Å; L418-I422 HydrophobicContact CG-CD1 4.29Å; L418-I422 WeakPolarHBondContact O-CG1 3.35Å; L418-I422 PolarHBondContact O-N 3.21Å
419	N	71.4	Confident	67.1	Low	100 Å²	100	122 Å²	122	54%	0.535	61%	0.605	S	S	.	*	H	α-helix	trans	-63.8	-38.4	177.5	-80.6	-37.9	0	0	0	112.1	D415 E416 I422 A423	D415-N419 VanDerWaalsContact O-CB 3.26Å; D415-N419 WeakPolarHBondContact O-CB 3.33Å; D415-N419 VanDerWaalsContact O-CG 3.26Å; D415-N419 PolarHBondContact O-N 3.14Å; D415-N419 PolarHBondContact O-ND2 2.94Å; E416-N419 PolarHBondContact O-N 2.85Å; N419-I422 PolarHBondContact O-N 2.78Å; N419-A423 VanDerWaalsContact O-CB 3.31Å; N419-A423 WeakPolarHBondContact O-CB 3.44Å; N419-A423 PolarHBondContact O-N 3.26Å
420	N	79.5	Confident	69.8	Low	92 Å²	92	118.4 Å²	118.4	49%	0.492	59%	0.588	S	S	.	*	H	α-helix	trans	-65.6	-38.6	173.9	-83	-34.1	0	0	0	112.5	E416 E417 L418 A423 N424	E416-N420 WeakPolarHBondContact O-CB 3.24Å; E416-N420 PolarHBondContact O-N 3.13Å; E416-N420 PolarHBondContact O-ND2 3.43Å; E417-N420 PolarHBondContact O-N 3.05Å; L418-N420 VanDerWaalsContact C-N 3.34Å; L418-N420 PolarHBondContact O-N 2.7Å; N420-A423 PolarHBondContact O-N 2.93Å; N420-N424 WeakPolarHBondContact O-CB 3.41Å; N420-N424 PolarHBondContact O-N 3.09Å
421	R	73.1	Confident	72.3	Confident	174 Å²	174	115.9 Å²	115.9	66%	0.657	58%	0.578	S	S	*	*	H	α-helix	trans	-62.4	-46.9	172.6	-95.9	177.3	160.7	171.4	-2.8	112	E417 L418 A423 N424 I425	E417-R421 PolarHBondContact O-N 2.91Å; L418-R421 WeakPolarHBondContact O-CB 3.46Å; L418-R421 PolarHBondContact O-N 3.07Å; R421-A423 VanDerWaalsContact C-N 3.33Å; R421-A423 PolarHBondContact O-N 2.82Å; R421-N424 PolarHBondContact O-N 3Å; R421-I425 VanDerWaalsContact O-CG1 3.29Å; R421-I425 WeakPolarHBondContact O-CG1 3.41Å; R421-I425 PolarHBondContact O-N 3Å
422	I	73.9	Confident	74.4	Confident	76 Å²	76	121.4 Å²	121.4	39%	0.39	59%	0.585	S	S	.	*	H	α-helix	trans	-63.1	-41.6	178.3	-66.2	168.6	0	0	0	110.6	L418 N419 I425 R426	L418-I422 HydrophobicContact CD2-CD1 4.42Å; L418-I422 HydrophobicContact CG-CD1 4.29Å; L418-I422 WeakPolarHBondContact O-CG1 3.35Å; L418-I422 PolarHBondContact O-N 3.21Å; N419-I422 PolarHBondContact O-N 2.78Å; I422-I425 PolarHBondContact O-N 3.39Å; I422-R426 PolarHBondContact O-N 3.24Å
423	A	83.6	Confident	76.7	Confident	42 Å²	42	120.9 Å²	120.9	35%	0.347	58%	0.576	S	S	.	*	H	α-helix	trans	-63.6	-40.8	176.4	0	0	0	0	0	112.5	N419 N420 R421 R426 K427	N419-A423 VanDerWaalsContact O-CB 3.31Å; N419-A423 WeakPolarHBondContact O-CB 3.44Å; N419-A423 PolarHBondContact O-N 3.26Å; N420-A423 PolarHBondContact O-N 2.93Å; R421-A423 VanDerWaalsContact C-N 3.33Å; R421-A423 PolarHBondContact O-N 2.82Å; A423-R426 PolarHBondContact O-N 3.34Å; A423-K427 PolarHBondContact O-N 2.98Å
424	N	84.3	Confident	78.9	Confident	97 Å²	97	123.2 Å²	123.2	52%	0.519	58%	0.576	S	S	.	*	H	α-helix	trans	-67.1	-39.4	176.1	-82.9	-19.7	0	0	0	112.6	N420 R421 K427 N428	N420-N424 WeakPolarHBondContact O-CB 3.41Å; N420-N424 PolarHBondContact O-N 3.09Å; R421-N424 PolarHBondContact O-N 3Å; N424-K427 PolarHBondContact O-N 2.79Å; N424-N428 PolarHBondContact O-N 3.42Å
425	I	79.6	Confident	80.5	Confident	106 Å²	106	123.6 Å²	123.6	54%	0.544	57%	0.571	S	S	.	*	H	α-helix	trans	-61.7	-45.2	175	-68.1	165.1	0	0	0	110.4	R421 I422 N428 F429	R421-I425 VanDerWaalsContact O-CG1 3.29Å; R421-I425 WeakPolarHBondContact O-CG1 3.41Å; R421-I425 PolarHBondContact O-N 3Å; I422-I425 PolarHBondContact O-N 3.39Å; I425-N428 PolarHBondContact O-N 3.37Å; I425-F429 PolarHBondContact O-N 3.32Å
426	R	84.7	Confident	82.1	Confident	186 Å²	186	123.5 Å²	123.5	70%	0.702	57%	0.57	S	S	*	*	H	α-helix	trans	-60.8	-45.2	175.7	-79.5	-177.5	173.9	179.2	-0.2	112.2	I422 A423 N428 F429 E430	I422-R426 PolarHBondContact O-N 3.24Å; A423-R426 PolarHBondContact O-N 3.34Å; R426-N428 VanDerWaalsContact C-N 3.35Å; R426-N428 PolarHBondContact O-N 3.06Å; R426-F429 PolarHBondContact O-N 3.23Å; R426-E430 PolarHBondContact O-N 3.32Å
427	K	89.1	Confident	82.9	Confident	148 Å²	148	121 Å²	121	64%	0.643	56%	0.561	S	S	*	*	H	α-helix	trans	-60.1	-41.6	176.5	-82.4	-178.8	178.1	172.8	0	112.7	A423 N424 E430 M431	A423-K427 PolarHBondContact O-N 2.98Å; N424-K427 PolarHBondContact O-N 2.79Å; K427-E430 PolarHBondContact O-N 3.07Å; K427-M431 WeakPolarHBondContact O-CB 3.34Å; K427-M431 PolarHBondContact O-N 2.87Å
428	N	87.2	Confident	83.8	Confident	111 Å²	111	120.6 Å²	120.6	59%	0.594	56%	0.557	S	S	*	*	H	α-helix	trans	-65.2	-41.3	178	-100.6	-25.4	0	0	0	112.3	N424 I425 R426 M431 R432	N424-N428 PolarHBondContact O-N 3.42Å; I425-N428 PolarHBondContact O-N 3.37Å; R426-N428 VanDerWaalsContact C-N 3.35Å; R426-N428 PolarHBondContact O-N 3.06Å; N428-M431 PolarHBondContact O-N 3.5Å; N428-R432 WeakPolarHBondContact O-CB 3.5Å; N428-R432 PolarHBondContact O-N 3.43Å
429	F	88.8	Confident	84.7	Confident	161 Å²	161	120.8 Å²	120.8	71%	0.706	56%	0.555	S	S	*	*	H	α-helix	trans	-62.6	-44.9	175.2	-112	-83.9	0	0	0	111.9	I425 R426 M431 R432 K433	I425-F429 PolarHBondContact O-N 3.32Å; R426-F429 PolarHBondContact O-N 3.23Å; F429-M431 VanDerWaalsContact C-N 3.34Å; F429-M431 PolarHBondContact O-N 3.18Å; F429-R432 PolarHBondContact O-N 2.76Å; F429-K433 WeakPolarHBondContact O-CB 3.32Å; F429-K433 PolarHBondContact O-N 3.31Å
430	E	89.8	Confident	85.1	Confident	99 Å²	99	119.3 Å²	119.3	46%	0.463	55%	0.55	S	S	.	.	H	α-helix	trans	-65	-38	179.4	-148.2	69.3	-141.7	0	0	111.9	R426 K427 R434	R426-E430 PolarHBondContact O-N 3.32Å; K427-E430 PolarHBondContact O-N 3.07Å; E430-R434 WeakPolarHBondContact O-CG 3.47Å; E430-R434 PolarHBondContact O-N 3.26Å; E430-R434 VanDerWaalsContact O-N 3.09Å
431	M	89.6	Confident	85.2	Confident	128 Å²	128	123 Å²	123	63%	0.631	56%	0.556	S	S	*	*	H	α-helix	trans	-64.4	-45.4	175.2	-170.7	-174.7	-62.7	0	0	111.4	K427 N428 F429 K433 R434 E435	K427-M431 WeakPolarHBondContact O-CB 3.34Å; K427-M431 PolarHBondContact O-N 2.87Å; N428-M431 PolarHBondContact O-N 3.5Å; F429-M431 VanDerWaalsContact C-N 3.34Å; F429-M431 PolarHBondContact O-N 3.18Å; M431-K433 VanDerWaalsContact C-N 3.33Å; M431-K433 PolarHBondContact O-N 3.01Å; M431-R434 PolarHBondContact O-N 3.1Å; M431-E435 PolarHBondContact O-N 3.18Å
432	R	88.1	Confident	85.5	Confident	208 Å²	208	118.2 Å²	118.2	79%	0.785	55%	0.547	S	S	*	.	H	α-helix	trans	-65.3	-38	179.9	-158.8	123.1	-175.4	174	1	112.1	N428 F429 E435 L436	N428-R432 WeakPolarHBondContact O-CB 3.5Å; N428-R432 PolarHBondContact O-N 3.43Å; F429-R432 PolarHBondContact O-N 2.76Å; R432-E435 PolarHBondContact O-N 2.84Å; R432-L436 PolarHBondContact O-N 2.82Å
433	K	91.3	Very high	85.2	Confident	124 Å²	124	119.5 Å²	119.5	54%	0.539	55%	0.553	S	S	.	*	H	α-helix	trans	-62.5	-46.5	174.2	-175	-179.1	174.6	-171.1	0	111.8	F429 M431 E435 L436 D437	F429-K433 WeakPolarHBondContact O-CB 3.32Å; F429-K433 PolarHBondContact O-N 3.31Å; M431-K433 VanDerWaalsContact C-N 3.33Å; M431-K433 PolarHBondContact O-N 3.01Å; K433-E435 VanDerWaalsContact C-N 3.31Å; K433-E435 PolarHBondContact O-N 2.8Å; K433-L436 PolarHBondContact O-N 3Å; K433-D437 PolarHBondContact O-N 2.97Å
434	R	90.9	Very high	84.6	Confident	173 Å²	173	123.3 Å²	123.3	65%	0.653	56%	0.564	S	S	*	*	H	α-helix	trans	-61.5	-37.5	176.5	-75.2	177.9	-179.9	-176.3	0.1	112.9	E430 M431 D437 K438	E430-R434 WeakPolarHBondContact O-CG 3.47Å; E430-R434 PolarHBondContact O-N 3.26Å; E430-R434 VanDerWaalsContact O-N 3.09Å; M431-R434 PolarHBondContact O-N 3.1Å; R434-D437 PolarHBondContact O-N 2.83Å; R434-K438 WeakPolarHBondContact O-CG 3.45Å; R434-K438 PolarHBondContact O-N 2.8Å; R434-K438 VanDerWaalsContact O-N 3.08Å
435	E	89.7	Confident	84	Confident	97 Å²	97	123.5 Å²	123.5	45%	0.453	57%	0.565	S	S	.	*	H	α-helix	trans	-68.6	-40.5	177.7	-163.6	58.9	-154.3	0	0	111.6	M431 R432 K433 D437 K438 Q439	M431-E435 PolarHBondContact O-N 3.18Å; R432-E435 PolarHBondContact O-N 2.84Å; K433-E435 VanDerWaalsContact C-N 3.31Å; K433-E435 PolarHBondContact O-N 2.8Å; E435-D437 PolarHBondContact O-N 3.07Å; E435-K438 PolarHBondContact O-N 3.06Å; E435-K438 IonicContact OE2-NZ 3.92Å; E435-Q439 PolarHBondContact O-N 3.12Å
436	L	83.9	Confident	83.1	Confident	106 Å²	106	125.2 Å²	125.2	56%	0.555	57%	0.571	S	S	*	*	H	α-helix	trans	-61.6	-43.7	174	-154.3	81.8	0	0	0	111.4	R432 K433 K438 Q439 V440	R432-L436 PolarHBondContact O-N 2.82Å; K433-L436 PolarHBondContact O-N 3Å; L436-K438 VanDerWaalsContact C-N 3.31Å; L436-K438 PolarHBondContact O-N 3.47Å; L436-Q439 PolarHBondContact O-N 3.31Å; L436-V440 WeakPolarHBondContact O-CG2 3.05Å; L436-V440 PolarHBondContact O-N 3.49Å
437	D	88.9	Confident	81.5	Confident	77 Å²	77	124.6 Å²	124.6	41%	0.412	57%	0.573	S	S	.	*	H	α-helix	trans	-63.2	-35.7	177.3	-75.1	-24.6	0	0	0	112.3	K433 R434 E435 R441	K433-D437 PolarHBondContact O-N 2.97Å; R434-D437 PolarHBondContact O-N 2.83Å; E435-D437 PolarHBondContact O-N 3.07Å; D437-R441 WeakPolarHBondContact O-CG 3.47Å; D437-R441 PolarHBondContact O-N 3.37Å; D437-R441 VanDerWaalsContact O-N 3.08Å
438	K	88.5	Confident	79.7	Confident	125 Å²	125	121.4 Å²	121.4	54%	0.543	57%	0.574	S	S	.	*	H	α-helix	trans	-65.9	-42.6	173.1	-76.9	178.9	-178	174.6	0	112.1	R434 E435 L436 V440 R441 T442	R434-K438 WeakPolarHBondContact O-CG 3.45Å; R434-K438 PolarHBondContact O-N 2.8Å; R434-K438 VanDerWaalsContact O-N 3.08Å; E435-K438 PolarHBondContact O-N 3.06Å; E435-K438 IonicContact OE2-NZ 3.92Å; L436-K438 VanDerWaalsContact C-N 3.31Å; L436-K438 PolarHBondContact O-N 3.47Å; K438-V440 VanDerWaalsContact C-N 3.34Å; K438-R441 PolarHBondContact O-N 2.92Å; K438-T442 PolarHBondContact O-N 3.1Å; K438-T442 PolarHBondContact O-OG1 2.93Å
439	Q	81.9	Confident	77.5	Confident	106 Å²	106	126.4 Å²	126.4	50%	0.495	59%	0.585	S	S	.	*	H	α-helix	trans	-62.3	-43.7	177.2	-72.6	-178.2	-3.3	0	0	111.2	E435 L436 R441 T442 I443	E435-Q439 PolarHBondContact O-N 3.12Å; L436-Q439 PolarHBondContact O-N 3.31Å; Q439-R441 PolarHBondContact O-N 3.41Å; Q439-T442 PolarHBondContact O-N 2.86Å; Q439-I443 WeakPolarHBondContact O-CG1 3.47Å; Q439-I443 PolarHBondContact O-N 2.85Å
440	V	80.9	Confident	75.2	Confident	69 Å²	69	122.8 Å²	122.8	42%	0.418	58%	0.579	S	S	.	*	H	α-helix	trans	-61.4	-44.4	177.1	173.4	0	0	0	0	111.5	L436 K438 T442 I443 Q444	L436-V440 WeakPolarHBondContact O-CG2 3.05Å; L436-V440 PolarHBondContact O-N 3.49Å; K438-V440 VanDerWaalsContact C-N 3.34Å; V440-T442 VanDerWaalsContact C-N 3.35Å; V440-T442 PolarHBondContact O-N 2.83Å; V440-I443 PolarHBondContact O-N 2.92Å; V440-Q444 WeakPolarHBondContact O-CG 3.47Å; V440-Q444 PolarHBondContact O-N 2.84Å
441	R	80.8	Confident	72.9	Confident	169 Å²	169	124 Å²	124	64%	0.638	60%	0.596	S	S	*	*	H	α-helix	trans	-62.7	-40.4	175.4	-72.4	179.6	-159.3	-130.8	3	112.4	D437 K438 Q439 I443 Q444 D445	D437-R441 WeakPolarHBondContact O-CG 3.47Å; D437-R441 PolarHBondContact O-N 3.37Å; D437-R441 VanDerWaalsContact O-N 3.08Å; K438-R441 PolarHBondContact O-N 2.92Å; Q439-R441 PolarHBondContact O-N 3.41Å; R441-I443 VanDerWaalsContact C-N 3.31Å; R441-I443 PolarHBondContact O-N 2.87Å; R441-Q444 WeakPolarHBondContact O-CB 3.16Å; R441-Q444 PolarHBondContact O-N 3.14Å; R441-Q444 VanDerWaalsContact O-N 3.13Å; R441-D445 PolarHBondContact O-N 2.8Å
442	T	79.5	Confident	70.3	Confident	74 Å²	74	123.8 Å²	123.8	45%	0.454	60%	0.602	S	S	.	*	H	α-helix	trans	-62.5	-40.1	178.3	-49.7	0	0	0	0	111.4	K438 Q439 V440 Q444 D445 Q446	K438-T442 PolarHBondContact O-N 3.1Å; K438-T442 PolarHBondContact O-OG1 2.93Å; Q439-T442 PolarHBondContact O-N 2.86Å; V440-T442 VanDerWaalsContact C-N 3.35Å; V440-T442 PolarHBondContact O-N 2.83Å; T442-Q444 VanDerWaalsContact C-N 3.34Å; T442-D445 PolarHBondContact O-N 3.37Å; T442-Q446 WeakPolarHBondContact O-CB 3.38Å; T442-Q446 WeakPolarHBondContact O-CG 3.29Å; T442-Q446 PolarHBondContact O-N 3.37Å
443	I	68.4	Low	67.5	Low	103 Å²	103	119.8 Å²	119.8	53%	0.528	60%	0.604	S	S	.	*	H	α-helix	trans	-65.6	-38	174.9	-66.1	165.1	0	0	0	111	Q439 V440 R441 K447	Q439-I443 WeakPolarHBondContact O-CG1 3.47Å; Q439-I443 PolarHBondContact O-N 2.85Å; V440-I443 PolarHBondContact O-N 2.92Å; R441-I443 VanDerWaalsContact C-N 3.31Å; R441-I443 PolarHBondContact O-N 2.87Å; I443-K447 PolarHBondContact O-N 2.74Å
444	Q	71.2	Confident	64.6	Low	122 Å²	122	121.6 Å²	121.6	57%	0.57	62%	0.617	S	S	*	*	H	α-helix	trans	-68.1	-43	176.3	-73.4	178.1	-20.5	0	0	112.2	V440 R441 T442 K447 A448	V440-Q444 WeakPolarHBondContact O-CG 3.47Å; V440-Q444 PolarHBondContact O-N 2.84Å; R441-Q444 WeakPolarHBondContact O-CB 3.16Å; R441-Q444 PolarHBondContact O-N 3.14Å; R441-Q444 VanDerWaalsContact O-N 3.13Å; T442-Q444 VanDerWaalsContact C-N 3.34Å; Q444-K447 WeakPolarHBondContact O-CB 3.44Å; Q444-K447 PolarHBondContact O-N 2.91Å; Q444-A448 PolarHBondContact O-N 3.19Å; Q444-A448 VanDerWaalsContact O-N 3.11Å
445	D	71.7	Confident	61.6	Low	102 Å²	102	121.2 Å²	121.2	55%	0.545	63%	0.627	S	S	.	*	H	α-helix	trans	-68.2	-35.9	177.9	-75	-19.2	0	0	0	112.3	R441 T442 K447 A448 R449	R441-D445 PolarHBondContact O-N 2.8Å; T442-D445 PolarHBondContact O-N 3.37Å; D445-K447 VanDerWaalsContact C-N 3.29Å; D445-K447 PolarHBondContact O-N 3.33Å; D445-A448 PolarHBondContact O-N 2.89Å; D445-A448 VanDerWaalsContact O-N 3.14Å; D445-R449 PolarHBondContact O-N 3.12Å; D445-R449 VanDerWaalsContact O-N 3.16Å
446	Q	60.4	Low	58.7	Low	141 Å²	141	125 Å²	125	66%	0.659	65%	0.645	S	S	*	*	H	α-helix	trans	-63.5	-36.2	172.6	-78.4	-179.1	-8.9	0	0	111.9	T442 A448	T442-Q446 WeakPolarHBondContact O-CB 3.38Å; T442-Q446 WeakPolarHBondContact O-CG 3.29Å; T442-Q446 PolarHBondContact O-N 3.37Å; Q446-A448 VanDerWaalsContact C-N 3.31Å
447	K	50.8	Low	56	Low	173 Å²	173	125.9 Å²	125.9	75%	0.752	66%	0.657	S	S	*	*	H	α-helix	trans	-67.9	-29.5	172.4	-95.2	-175.3	172.5	-177.2	0	113.2	I443 Q444 D445	I443-K447 PolarHBondContact O-N 2.74Å; Q444-K447 WeakPolarHBondContact O-CB 3.44Å; Q444-K447 PolarHBondContact O-N 2.91Å; D445-K447 VanDerWaalsContact C-N 3.29Å; D445-K447 PolarHBondContact O-N 3.33Å
448	A	50.6	Low	53.2	Low	81 Å²	81	130.1 Å²	130.1	67%	0.669	68%	0.679	S	S	*	*	H	α-helix	trans	-83	-17.6	-179	0	0	0	0	0	113.9	Q444 D445 Q446	Q444-A448 PolarHBondContact O-N 3.19Å; Q444-A448 VanDerWaalsContact O-N 3.11Å; D445-A448 PolarHBondContact O-N 2.89Å; D445-A448 VanDerWaalsContact O-N 3.14Å; Q446-A448 VanDerWaalsContact C-N 3.31Å
449	R	42.3	Very low	50.2	Low	217 Å²	217	130.3 Å²	130.3	82%	0.819	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	8.7	-175.1	-75.8	-172.2	178.7	-168.8	0.7	115.8	D445 P451	D445-R449 PolarHBondContact O-N 3.12Å; D445-R449 VanDerWaalsContact O-N 3.16Å; R449-P451 VanDerWaalsContact O-CD 3.31Å; R449-P451 WeakPolarHBondContact O-CD 3.45Å
450	S	40.5	Very low	47.5	Very low	84 Å²	84	133.8 Å²	133.8	59%	0.587	71%	0.707	S	S	*	*	S	Bend	trans	-72.8	116.2	168.9	58	0	0	0	0	109.7	V452	S450-V452 PolarHBondContact O-N 2.94Å
451	P	40.3	Very low	45.2	Very low	125 Å²	125	136.4 Å²	136.4	81%	0.812	73%	0.726	S	S	*	*			trans	-68.3	121.7	-175.5	-12.3	27	0	0	0	110.4	R449 C453	R449-P451 VanDerWaalsContact O-CD 3.31Å; R449-P451 WeakPolarHBondContact O-CD 3.45Å; P451-C453 PolarHBondContact O-N 3.34Å; P451-C453 VanDerWaalsContact O-N 3.13Å
452	V	34.8	Very low	42.7	Very low	123 Å²	123	135.6 Å²	135.6	75%	0.745	73%	0.734	S	S	*	*			trans	-68.7	102	166.8	177.8	0	0	0	0	106.6	S450 M454	S450-V452 PolarHBondContact O-N 2.94Å; V452-M454 PolarHBondContact O-N 3.23Å
453	C	30.7	Very low	40.4	Very low	124 Å²	124	137 Å²	137	84%	0.838	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-71.3	116.3	174.2	-153.8	0	0	0	0	108	P451	P451-C453 PolarHBondContact O-N 3.34Å; P451-C453 VanDerWaalsContact O-N 3.13Å
454	M	30.2	Very low	38.5	Very low	163 Å²	163	139.4 Å²	139.4	80%	0.803	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-73.5	139.6	-178.6	-67.8	-75.9	-109.2	0	0	110.1	V452 E456	V452-M454 PolarHBondContact O-N 3.23Å; M454-E456 PolarHBondContact O-N 3.11Å
455	N	28.7	Very low	36.7	Very low	164 Å²	164	141 Å²	141	88%	0.877	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-52.3	119.4	174.3	-62	-32.5	0	0	0	111.7
456	E	28.1	Very low	34.5	Very low	177 Å²	177	144.5 Å²	144.5	83%	0.827	79%	0.792	S	S	*	*			trans	-115.1	125.5	155.2	-98.4	-174.8	166.7	0	0	109.1	M454	M454-E456 PolarHBondContact O-N 3.11Å
457	P	27.4	Very low	33.2	Very low	125 Å²	125	144.2 Å²	144.2	81%	0.812	80%	0.799	S	S	*	*			trans	-84.2	118.7	-176.5	32.3	-29.4	0	0	0	109.5
458	L	28.8	Very low	32.3	Very low	166 Å²	166	140.5 Å²	140.5	87%	0.869	80%	0.795	S	S	*	*			trans	-112.3	135.7	173.6	-81.3	166	0	0	0	111.1
459	T	26.7	Very low	31.4	Very low	128 Å²	128	142.7 Å²	142.7	79%	0.785	80%	0.803	S	S	*	*			trans	-70.9	146.7	-165.3	-24.6	0	0	0	0	112.8
460	E	25.2	Very low	30.8	Very low	179 Å²	179	140.5 Å²	140.5	84%	0.836	80%	0.802	S	S	*	*			trans	-54.4	135.6	173.3	-60.9	171.8	163.2	0	0	112.2
461	P	33.1	Very low	30.3	Very low	125 Å²	125	143.5 Å²	143.5	81%	0.812	81%	0.811	S	S	*	*			trans	-110	124.7	155.8	28.4	-13.9	0	0	0	110.7
462	D	26.6	Very low	30.1	Very low	151 Å²	151	144.8 Å²	144.8	81%	0.807	81%	0.808	S	S	*	*			trans	-62.7	169.4	167.9	-71.4	-52.3	0	0	0	113.2
463	S	32.4	Very low	29.9	Very low	103 Å²	103	146.1 Å²	146.1	72%	0.72	81%	0.811	S	S	*	*			trans	93.2	95.4	159.7	80.3	0	0	0	0	118.4
464	D	28.1	Very low	30.1	Very low	154 Å²	154	149.2 Å²	149.2	82%	0.824	81%	0.806	S	S	*	*				23.5	110.6	114.1	-57.1	-35	0	0	0	116.9
465	D	33.2	Very low	30.2	Very low	156 Å²	156	148.8 Å²	148.8	83%	0.834	81%	0.807	S	S	*	*			trans	-148.1	108.2	146.8	-92	-38.3	0	0	0	109.6	V467	D465-V467 PolarHBondContact O-N 3.41Å
466	D	26.5	Very low	30.3	Very low	175 Å²	175	148 Å²	148	94%	0.936	80%	0.803	S	S	*	*			trans	-59.9	112.9	165.5	-88.2	-43.4	0	0	0	109.7
467	V	32.4	Very low	30.5	Very low	135 Å²	135	146.5 Å²	146.5	82%	0.818	80%	0.8	S	S	*	*			trans	-127.5	110.3	162.6	-175.5	0	0	0	0	109.5	D465	D465-V467 PolarHBondContact O-N 3.41Å
468	S	31.3	Very low	30.7	Very low	96 Å²	96	146.9 Å²	146.9	67%	0.671	80%	0.8	S	S	*	*			trans	-58.3	149	175.8	51	0	0	0	0	113
469	P	31.4	Very low	30.8	Very low	127 Å²	127	146.5 Å²	146.5	83%	0.825	79%	0.794	S	S	*	*			trans	-83.9	124.1	-174.7	16.8	-0.7	0	0	0	110.9
470	Q	31.3	Very low	31.1	Very low	171 Å²	171	145.8 Å²	145.8	80%	0.799	79%	0.791	S	S	*	*			trans	-113	112.7	168.1	-82	-177.3	-24.1	0	0	110
471	D	30.3	Very low	31.4	Very low	147 Å²	147	145 Å²	145	79%	0.786	79%	0.791	S	S	*	*			trans	21.6	103.3	139	-53.8	-29.8	0	0	0	117.2
472	M	34.4	Very low	31.1	Very low	152 Å²	152	147.4 Å²	147.4	75%	0.749	79%	0.792	S	S	*	*			trans	-128.9	89	158.7	-71.5	-77.6	-69.8	0	0	107.6	Y474	M472-Y474 HydrophobicContact CE-CE2 4.16Å; M472-Y474 PolarHBondContact O-N 2.78Å
473	D	30.5	Very low	31.3	Very low	150 Å²	150	146.5 Å²	146.5	80%	0.802	79%	0.791	S	S	*	*			trans	-61.8	115.5	167.7	-72.8	-36	0	0	0	109.5
474	Y	36.3	Very low	31.1	Very low	189 Å²	189	149 Å²	149	74%	0.741	79%	0.791	S	S	*	*			trans	-120.2	92.3	159.9	-95.6	-83	0	0	0	108.2	M472 L476	M472-Y474 HydrophobicContact CE-CE2 4.16Å; M472-Y474 PolarHBondContact O-N 2.78Å; Y474-L476 PolarHBondContact O-N 3.5Å
475	D	30.8	Very low	31.2	Very low	154 Å²	154	147.3 Å²	147.3	82%	0.824	79%	0.787	S	S	*	*			trans	-61	107.6	161.1	-82.1	-38.9	0	0	0	108.7
476	L	32.5	Very low	31	Very low	149 Å²	149	148.7 Å²	148.7	78%	0.78	79%	0.785	S	S	*	*			trans	-107.3	100.5	167.4	-94	157.2	0	0	0	108.2	Y474 V478	Y474-L476 PolarHBondContact O-N 3.5Å; L476-V478 PolarHBondContact O-N 2.89Å
477	D	31.2	Very low	31.1	Very low	144 Å²	144	149.5 Å²	149.5	77%	0.77	78%	0.781	S	S	*	*			trans	-53.5	101.3	172.6	-78	-41.3	0	0	0	111.4	Q479	D477-Q479 PolarHBondContact O-N 2.69Å
478	V	32.1	Very low	30.9	Very low	134 Å²	134	148 Å²	148	81%	0.812	78%	0.776	S	S	*	*			trans	-79.9	96.2	169.4	-179.7	0	0	0	0	108.1	L476 P480	L476-V478 PolarHBondContact O-N 2.89Å; V478-P480 WeakPolarHBondContact O-CD 3.35Å
479	Q	30.3	Very low	30.9	Very low	158 Å²	158	150 Å²	150	74%	0.738	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-72.8	123.7	168.1	-70.4	-72.7	-39.2	0	0	109.7	D477	D477-Q479 PolarHBondContact O-N 2.69Å
480	P	33.6	Very low	30.6	Very low	113 Å²	113	151.5 Å²	151.5	73%	0.734	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-76	124.3	180	28.1	-31.1	0	0	0	111.3	V478	V478-P480 WeakPolarHBondContact O-CD 3.35Å
481	I	31.6	Very low	30.5	Very low	163 Å²	163	147.2 Å²	147.2	84%	0.836	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-81.4	119.6	173.8	-62.5	172.1	0	0	0	109	V483	I481-V483 PolarHBondContact O-N 3.02Å
482	E	27	Very low	30.5	Very low	175 Å²	175	145.8 Å²	145.8	82%	0.818	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-59.8	121.1	174.9	-79	-176.4	143.3	0	0	111.9	Q484	E482-Q484 PolarHBondContact O-N 3.1Å
483	V	29.6	Very low	30.2	Very low	131 Å²	131	149.5 Å²	149.5	79%	0.794	78%	0.784	S	S	*	*			trans	-78.2	104.4	173.8	179.3	0	0	0	0	108.8	I481 V485	I481-V483 PolarHBondContact O-N 3.02Å; V483-V485 PolarHBondContact O-N 2.82Å; V483-V485 VanDerWaalsContact O-N 3.12Å
484	Q	28.4	Very low	30.1	Very low	155 Å²	155	147.7 Å²	147.7	72%	0.724	78%	0.783	S	S	*	*			trans	-71.9	102.4	173.4	-72.8	-175.7	-12.6	0	0	110.6	E482 F486	E482-Q484 PolarHBondContact O-N 3.1Å; Q484-F486 PolarHBondContact O-N 2.86Å
485	V	30.2	Very low	29.9	Very low	120 Å²	120	144.7 Å²	144.7	73%	0.727	79%	0.787	S	S	*	*			trans	-74.2	102.7	174	-178.3	0	0	0	0	109.2	V483 K487	V483-V485 PolarHBondContact O-N 2.82Å; V483-V485 VanDerWaalsContact O-N 3.12Å; V485-K487 PolarHBondContact O-N 2.86Å; V485-K487 VanDerWaalsContact O-N 3.09Å
486	F	28.4	Very low	29.9	Very low	184 Å²	184	143 Å²	143	81%	0.807	79%	0.787	S	S	*	*			trans	-66.5	106.4	170.8	-84.2	-90.7	0	0	0	110.2	Q484 S488	Q484-F486 PolarHBondContact O-N 2.86Å; F486-S488 PolarHBondContact O-N 2.6Å; F486-S488 VanDerWaalsContact O-N 3.16Å
487	K	28.9	Very low	29.7	Very low	193 Å²	193	141 Å²	141	84%	0.839	79%	0.785	S	S	*	*			trans	-69.8	101.3	166.9	-70.6	178.5	178.1	175.7	0	108.5	V485 V489	V485-K487 PolarHBondContact O-N 2.86Å; V485-K487 VanDerWaalsContact O-N 3.09Å; K487-V489 PolarHBondContact O-N 2.78Å
488	S	28.1	Very low	29.7	Very low	103 Å²	103	139.8 Å²	139.8	72%	0.72	79%	0.785	S	S	*	*			trans	-68.1	113.7	170.3	73.7	0	0	0	0	109.1	F486 L490	F486-S488 PolarHBondContact O-N 2.6Å; F486-S488 VanDerWaalsContact O-N 3.16Å; S488-L490 PolarHBondContact O-N 3.43Å; S488-L490 VanDerWaalsContact O-N 3.1Å
489	V	31.8	Very low	29.5	Very low	139 Å²	139	140.3 Å²	140.3	84%	0.842	79%	0.789	S	S	*	*			trans	-67.9	104.9	175.9	178.8	0	0	0	0	108.3	K487 A491	K487-V489 PolarHBondContact O-N 2.78Å; V489-A491 PolarHBondContact O-N 3.06Å
490	L	26.4	Very low	29.4	Very low	158 Å²	158	141.3 Å²	141.3	83%	0.827	79%	0.793	S	S	*	*			trans	-68.5	108	166.2	-71.7	166.3	0	0	0	107.8	S488	S488-L490 PolarHBondContact O-N 3.43Å; S488-L490 VanDerWaalsContact O-N 3.1Å
491	A	27.8	Very low	28.9	Very low	80 Å²	80	147.8 Å²	147.8	66%	0.661	80%	0.803	S	S	*	*			trans	-67.7	131.9	170.7	0	0	0	0	0	109.5	V489 Y493	V489-A491 PolarHBondContact O-N 3.06Å; A491-Y493 PolarHBondContact O-N 2.84Å
492	P	30.7	Very low	28.7	Very low	118 Å²	118	144.9 Å²	144.9	77%	0.766	80%	0.797	S	S	*	*			trans	-73.4	126.2	-174.3	27.3	-32	0	0	0	111.2	S494	P492-S494 PolarHBondContact O-N 2.82Å
493	Y	27.4	Very low	28.7	Very low	230 Å²	230	145.8 Å²	145.8	90%	0.902	80%	0.801	S	S	*	*			trans	-66.8	113.1	166.5	-84	-92.7	0	0	0	109.5	A491	A491-Y493 PolarHBondContact O-N 2.84Å
494	S	30.1	Very low	28.6	Very low	111 Å²	111	146.9 Å²	146.9	78%	0.776	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-70	131.5	169	-40.1	0	0	0	0	109.9	P492 S496	P492-S494 PolarHBondContact O-N 2.82Å; S494-S496 PolarHBondContact O-N 2.87Å
495	P	31.8	Very low	28.5	Very low	126 Å²	126	144.5 Å²	144.5	82%	0.818	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-74.3	117.3	-179.4	26.4	-28	0	0	0	110.6	S497	P495-S497 PolarHBondContact O-N 3.19Å
496	S	29.3	Very low	28.3	Very low	120 Å²	120	150.7 Å²	150.7	84%	0.839	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-65.3	123.9	169.4	49.3	0	0	0	0	110.4	S494	S494-S496 PolarHBondContact O-N 2.87Å
497	S	29.2	Very low	28.2	Very low	106 Å²	106	150.3 Å²	150.3	74%	0.741	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-56.4	154.4	179.9	-146.2	0	0	0	0	113.5	P495 V499	P495-S497 PolarHBondContact O-N 3.19Å; S497-V499 PolarHBondContact O-N 3.18Å
498	P	30.7	Very low	28.2	Very low	118 Å²	118	147 Å²	147	77%	0.766	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-76.5	123.6	-168.8	26	-21.3	0	0	0	111.7	Q500	P498-Q500 PolarHBondContact O-N 3.35Å
499	V	28.6	Very low	28.1	Very low	146 Å²	146	147.3 Å²	147.3	89%	0.885	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-67.2	122.1	174.2	174.4	0	0	0	0	109.3	S497	S497-V499 PolarHBondContact O-N 3.18Å
500	Q	27.3	Very low	27.8	Very low	179 Å²	179	149.7 Å²	149.7	84%	0.836	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-58	133.7	176.2	-80.9	169.2	-43.6	0	0	111.6	P498 S502	P498-Q500 PolarHBondContact O-N 3.35Å; Q500-S502 PolarHBondContact O-N 3.07Å
501	R	23.2	Very low	27.8	Very low	249 Å²	249	150 Å²	150	94%	0.94	81%	0.813	S	S	*	*			trans	-69.4	84.8	178	-152.9	179.3	-161.5	177.9	3.8	109.3	Q503	R501-Q503 PolarHBondContact O-N 3.34Å
502	S	28.7	Very low	27.7	Very low	101 Å²	101	155.3 Å²	155.3	71%	0.706	82%	0.824	S	S	*	*			trans	-78.3	114.9	170.8	63	0	0	0	0	109.6	Q500 L504	Q500-S502 PolarHBondContact O-N 3.07Å; S502-L504 PolarHBondContact O-N 3.18Å
503	Q	26.2	Very low	27.5	Very low	195 Å²	195	156.4 Å²	156.4	91%	0.911	82%	0.824	S	S	*	*			trans	-57.9	113.9	170.4	-62.7	174.9	-10.6	0	0	109.3	R501	R501-Q503 PolarHBondContact O-N 3.34Å
504	L	28.2	Very low	27.4	Very low	154 Å²	154	154.3 Å²	154.3	81%	0.806	82%	0.822	S	S	*	*			trans	-115.7	121.3	161.9	-88.9	160.9	0	0	0	107.9	S502	S502-L504 PolarHBondContact O-N 3.18Å
505	S	26.5	Very low	27.2	Very low	105 Å²	105	154.9 Å²	154.9	73%	0.734	82%	0.823	S	S	*	*			trans	-47.8	125.6	-178.7	39.9	0	0	0	0	112.8	E507	S505-E507 PolarHBondContact O-N 3.4Å
506	R	24.8	Very low	26.9	Very low	249 Å²	249	159.2 Å²	159.2	94%	0.94	83%	0.825	S	S	*	*			trans	-65.1	110.1	159.6	-87.4	174.1	161.7	169.9	-7	108.4
507	E	26.5	Very low	26.8	Very low	177 Å²	177	156.7 Å²	156.7	83%	0.827	82%	0.818	S	S	*	*			trans	-93.5	134	152.2	-76	-170.7	161.4	0	0	108.5	S505 S509	S505-E507 PolarHBondContact O-N 3.4Å; E507-S509 PolarHBondContact O-N 2.94Å
508	P	28.9	Very low	26.4	Very low	122 Å²	122	160.4 Å²	160.4	79%	0.792	82%	0.823	S	S	*	*			trans	-83.3	110.6	-173.3	31.8	-30	0	0	0	110.3
509	S	27.1	Very low	26.2	Very low	111 Å²	111	162.9 Å²	162.9	78%	0.776	83%	0.829	S	S	*	*			trans	-75.5	122.2	163.6	53.3	0	0	0	0	109.1	E507 E511	E507-S509 PolarHBondContact O-N 2.94Å; S509-E511 PolarHBondContact O-N 2.97Å
510	Q	24.7	Very low	25.9	Very low	189 Å²	189	164.1 Å²	164.1	88%	0.883	83%	0.825	S	S	*	*			trans	-60.2	107.4	179.6	-64.2	169	-41.6	0	0	110.2
511	E	26.3	Very low	25.9	Very low	165 Å²	165	164.8 Å²	164.8	77%	0.771	83%	0.828	S	S	*	*			trans	-90.3	105.5	164	-81.9	-177.2	160	0	0	108	S509 N513	S509-E511 PolarHBondContact O-N 2.97Å; E511-N513 PolarHBondContact O-N 3.01Å
512	E	25.5	Very low	25.9	Very low	191 Å²	191	159.6 Å²	159.6	89%	0.893	83%	0.825	S	S	*	*			trans	-64.7	94.3	168.3	-67.8	178.9	160.5	0	0	108.9
513	N	26.4	Very low	25.7	Very low	141 Å²	141	158 Å²	158	75%	0.754	82%	0.823	S	S	*	*			trans	-84.2	109.5	163.3	-75.1	-63.9	0	0	0	107.7	E511	E511-N513 PolarHBondContact O-N 3.01Å
514	E	25.8	Very low	25.7	Very low	186 Å²	186	153.9 Å²	153.9	87%	0.869	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-61.1	136.9	167.7	-87	-161.2	153.1	0	0	110.6
515	P	25.6	Very low	25.5	Very low	123 Å²	123	158.3 Å²	158.3	80%	0.799	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-84.3	123.9	-167.9	33	-32.5	0	0	0	111.3
516	Y	26.2	Very low	25.5	Very low	217 Å²	217	161.7 Å²	161.7	85%	0.851	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-78.1	120.1	164.1	-123.7	-97	0	0	0	108.4	E518	Y516-E518 PolarHBondContact O-N 3.44Å
517	G	26	Very low	25.5	Very low	67 Å²	67	155 Å²	155	69%	0.691	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-63.6	122.4	176.9	0	0	0	0	0	111.8	L519	G517-L519 PolarHBondContact O-N 3.43Å
518	E	21.6	Very low	25.6	Very low	183 Å²	183	152.4 Å²	152.4	86%	0.855	82%	0.816	S	S	*	*			trans	-66.5	111.3	165.9	-76.4	173.3	143.4	0	0	109.1	Y516	Y516-E518 PolarHBondContact O-N 3.44Å
519	L	26.1	Very low	25.6	Very low	170 Å²	170	153.9 Å²	153.9	89%	0.89	82%	0.818	S	S	*	*			trans	-96.1	99.4	158.5	-81.8	162.4	0	0	0	107	G517 E521	G517-L519 PolarHBondContact O-N 3.43Å; L519-E521 PolarHBondContact O-N 3.18Å
520	E	22.5	Very low	25.5	Very low	172 Å²	172	156.3 Å²	156.3	80%	0.804	82%	0.821	S	S	*	*			trans	-65.4	102	166.3	-66.5	-172.9	143.7	0	0	109.1
521	E	27	Very low	25.5	Very low	193 Å²	193	156.3 Å²	156.3	90%	0.902	82%	0.818	S	S	*	*			trans	-108.4	94.6	159.4	-84.8	-169.6	167.1	0	0	109.5	L519 G523	L519-E521 PolarHBondContact O-N 3.18Å; E521-G523 PolarHBondContact O-N 3.26Å
522	T	23.2	Very low	25.4	Very low	141 Å²	141	155 Å²	155	87%	0.865	82%	0.815	S	S	*	*			trans	-69.5	113.7	161.6	52.5	0	0	0	0	109
523	G	25.5	Very low	25.4	Very low	66 Å²	66	151.2 Å²	151.2	68%	0.68	81%	0.807	S	S	*	*			trans	-165.6	75.1	-177.3	0	0	0	0	0	115.3	E521	E521-G523 PolarHBondContact O-N 3.26Å
524	S	25.8	Very low	25.3	Very low	109 Å²	109	155.6 Å²	155.6	76%	0.762	81%	0.813	S	S	*	*			trans	37.7	112.2	149.2	60.4	0	0	0	0	120.2	H526	S524-H526 PolarHBondContact O-N 3.09Å
525	R	24.1	Very low	25.2	Very low	247 Å²	247	151.8 Å²	151.8	93%	0.932	81%	0.807	S	S	*	*			trans	-45	114	155.3	-65	168.5	174.1	171.4	-2.8	112.2
526	H	26.5	Very low	25.3	Very low	177 Å²	177	151.3 Å²	151.3	82%	0.819	81%	0.807	S	S	*	*			trans	-132	103.6	149.2	-93.3	-41.5	0	0	0	108.9	S524 P528	S524-H526 PolarHBondContact O-N 3.09Å; H526-P528 WeakPolarHBondContact O-CD 3.31Å
527	S	23.3	Very low	25.5	Very low	108 Å²	108	146.6 Å²	146.6	76%	0.755	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-70	117.7	162.1	48.8	0	0	0	0	108.7
528	P	30.6	Very low	25.5	Very low	122 Å²	122	151.1 Å²	151.1	79%	0.792	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-85	129.6	164.8	31.2	-22.9	0	0	0	108.4	H526	H526-P528 WeakPolarHBondContact O-CD 3.31Å
529	D	27.2	Very low	25.9	Very low	154 Å²	154	151.6 Å²	151.6	82%	0.824	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-50	134.7	179.9	-80	-50.8	0	0	0	113.4	F531	D529-F531 VanDerWaalsContact C-N 3.31Å; D529-F531 PolarHBondContact O-N 3.12Å
530	L	24.7	Very low	25.9	Very low	161 Å²	161	153.2 Å²	153.2	84%	0.843	81%	0.808	S	S	*	*			trans	-61.3	87.7	165.4	-79.7	154.4	0	0	0	109.8	I532	L530-I532 PolarHBondContact O-N 3.2Å
531	F	25.2	Very low	26.1	Very low	189 Å²	189	149.5 Å²	149.5	83%	0.829	81%	0.806	S	S	*	*			trans	-80.4	95.9	167.6	-140.2	-96.1	0	0	0	108.8	D529 P533	D529-F531 VanDerWaalsContact C-N 3.31Å; D529-F531 PolarHBondContact O-N 3.12Å; F531-P533 VanDerWaalsContact O-CD 3.28Å; F531-P533 WeakPolarHBondContact O-CD 3.29Å
532	I	24.4	Very low	26	Very low	137 Å²	137	149.8 Å²	149.8	70%	0.703	81%	0.805	S	S	*	*			trans	-84.3	109.4	171.9	-61.2	170.9	0	0	0	107.8	L530 R534	L530-I532 PolarHBondContact O-N 3.2Å; I532-R534 PolarHBondContact O-N 3.16Å
533	P	26	Very low	26.1	Very low	113 Å²	113	155 Å²	155	73%	0.734	81%	0.808	S	S	*	*			trans	-78.2	117.9	174.1	-6.2	25.7	0	0	0	108.8	F531	F531-P533 VanDerWaalsContact O-CD 3.28Å; F531-P533 WeakPolarHBondContact O-CD 3.29Å
534	R	24.9	Very low	26	Very low	232 Å²	232	163 Å²	163	88%	0.875	82%	0.818	S	S	*	*			trans	-67.5	126.9	170	-73.3	178.8	172.1	173.9	-2.4	110.5	I532	I532-R534 PolarHBondContact O-N 3.16Å
535	S	23.5	Very low	26.1	Very low	106 Å²	106	163.4 Å²	163.4	74%	0.741	82%	0.821	S	S	*	*			trans	23.5	119	142.8	61.9	0	0	0	0	118.9
536	S	26.2	Very low	26.1	Very low	113 Å²	113	163.6 Å²	163.6	79%	0.79	82%	0.822	S	S	*	*				-179.5	153.4	122.1	57.8	0	0	0	0	113.1
537	V	30.5	Very low	26.2	Very low	118 Å²	118	159.9 Å²	159.9	72%	0.715	82%	0.821	S	S	*	*			trans	90	88.4	159.6	-159.6	0	0	0	0	117.5	K539	V537-K539 PolarHBondContact O-N 3.2Å
538	D	27.4	Very low	26.4	Very low	162 Å²	162	159.1 Å²	159.1	87%	0.866	82%	0.822	S	S	*	*			trans	-35.7	109.5	149.4	-69.3	-58.5	0	0	0	113.4
539	K	30.1	Very low	26.5	Very low	194 Å²	194	159.4 Å²	159.4	84%	0.843	82%	0.823	S	S	*	*			trans	-103.4	101.5	159.6	-78.7	-175.4	-180	174.7	0	109.4	V537 A541	V537-K539 PolarHBondContact O-N 3.2Å; K539-A541 PolarHBondContact O-N 3.1Å
540	K	25.9	Very low	26.6	Very low	203 Å²	203	155.6 Å²	155.6	88%	0.883	82%	0.821	S	S	*	*			trans	-43.6	99.5	168.1	-71.3	172	174.8	172	0	111.5	K542	K540-K542 PolarHBondContact O-N 3.46Å
541	A	25.4	Very low	26.8	Very low	94 Å²	94	154.7 Å²	154.7	78%	0.777	82%	0.822	S	S	*	*			trans	-78.5	108.6	168.7	0	0	0	0	0	109.2	K539 R543	K539-A541 PolarHBondContact O-N 3.1Å; A541-R543 PolarHBondContact O-N 3.44Å
542	K	26.2	Very low	26.8	Very low	200 Å²	200	154.2 Å²	154.2	87%	0.87	83%	0.827	S	S	*	*			trans	-60.6	115	175.8	-77.7	176.5	173.9	176.2	0	110.1	K540 R544	K540-K542 PolarHBondContact O-N 3.46Å; K542-R544 PolarHBondContact O-N 3Å; K542-R544 VanDerWaalsContact O-N 3.16Å
543	R	24	Very low	26.8	Very low	250 Å²	250	156.5 Å²	156.5	94%	0.943	84%	0.835	S	S	*	*			trans	-58.4	110.7	166	-68.6	170.9	92.2	-173.2	6.9	108.5	A541	A541-R543 PolarHBondContact O-N 3.44Å
544	R	25	Very low	26.9	Very low	234 Å²	234	156.2 Å²	156.2	88%	0.883	84%	0.836	S	S	*	*			trans	-82.9	110.5	162	-88.8	-179.8	157.3	174.3	-6.3	107.4	K542	K542-R544 PolarHBondContact O-N 3Å; K542-R544 VanDerWaalsContact O-N 3.16Å
545	S	27.6	Very low	26.9	Very low	117 Å²	117	150.5 Å²	150.5	82%	0.818	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-62.8	129.3	171.4	43.7	0	0	0	0	109.9
546	W	23.9	Very low	27.3	Very low	252 Å²	252	156.5 Å²	156.5	96%	0.955	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-73.6	123.5	171	-73.9	55.5	0	0	0	108.1
547	A	28	Very low	27.4	Very low	98 Å²	98	157.2 Å²	157.2	81%	0.81	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-72.7	135.8	174	0	0	0	0	0	109.8
548	A	28.3	Very low	27.2	Very low	92 Å²	92	158.7 Å²	158.7	76%	0.76	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-67.4	144.9	178	0	0	0	0	0	111.5
549	P	31.9	Very low	27.2	Very low	128 Å²	128	158.8 Å²	158.8	83%	0.831	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-74.1	134.2	-175.2	28.3	-31.7	0	0	0	112
550	G	29.7	Very low	27	Very low	74 Å²	74	157.5 Å²	157.5	76%	0.763	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-68.2	139.2	178.2	0	0	0	0	0	113
551	T	28	Very low	27	Very low	142 Å²	142	159 Å²	159	87%	0.871	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-61.9	120.3	172	42.1	0	0	0	0	111.2
552	L	27	Very low	27.2	Very low	179 Å²	179	164.2 Å²	164.2	94%	0.937	84%	0.843	S	S	*	*			trans	-106.2	91	173.2	-156.9	83.7	0	0	0	108.8
553	E	22.8	Very low	27.1	Very low	185 Å²	185	163.1 Å²	163.1	86%	0.864	84%	0.839	S	S	*	*			trans	-104.5	120.3	160.7	-84.8	-178.7	156.4	0	0	108
554	S	29.4	Very low	27.1	Very low	108 Å²	108	160.5 Å²	160.5	76%	0.755	83%	0.83	S	S	*	*			trans	-170.4	121.3	132.8	53.3	0	0	0	0	110
555	S	25	Very low	27.2	Very low	112 Å²	112	161.2 Å²	161.2	78%	0.783	83%	0.833	S	S	*	*			trans	-67.6	131.4	169.4	91	0	0	0	0	109.3
556	R	31.4	Very low	26.9	Very low	232 Å²	232	162.3 Å²	162.3	88%	0.875	83%	0.828	S	S	*	*			trans	-132.2	94.3	157.4	-82.1	-170.5	175.4	177.1	-0.8	109.5
557	T	27.8	Very low	27.1	Very low	128 Å²	128	157.1 Å²	157.1	79%	0.785	82%	0.819	S	S	*	*			trans	19.6	114.3	140.3	46.4	0	0	0	0	118.5
558	I	25.6	Very low	27.1	Very low	149 Å²	149	160.6 Å²	160.6	76%	0.764	82%	0.824	S	S	*	*			trans	-47.5	125.1	159.2	-65.2	154.9	0	0	0	111.1	K560	I558-K560 HydrophobicContact CG2-CD 4.41Å; I558-K560 HydrophobicContact CG2-CG 3.81Å
559	D	28.9	Very low	26.9	Very low	164 Å²	164	162.7 Å²	162.7	88%	0.877	83%	0.827	S	S	*	*			trans	-110.4	116.9	161.5	-146.4	-13.3	0	0	0	109.2
560	K	25.3	Very low	26.7	Very low	166 Å²	166	162.4 Å²	162.4	72%	0.722	82%	0.823	S	S	*	*			trans	-105.1	122.2	178.9	-79.9	175.8	178.8	178.2	0	106.8	I558	I558-K560 HydrophobicContact CG2-CD 4.41Å; I558-K560 HydrophobicContact CG2-CG 3.81Å
561	R	26.6	Very low	26.4	Very low	236 Å²	236	162 Å²	162	89%	0.891	82%	0.818	S	S	*	*			trans	144.6	112.2	142.9	-82.5	159.5	174.9	175.8	-1	109.6
562	Q	29.2	Very low	26.6	Very low	202 Å²	202	164 Å²	164	94%	0.944	82%	0.817	S	S	*	*				-168.2	115.2	126.9	-103.2	164	17.2	0	0	108.3
563	F	23.2	Very low	26.4	Very low	178 Å²	178	161.6 Å²	161.6	78%	0.781	82%	0.815	S	S	*	*			trans	-113.6	145	178.9	-122.5	-83.7	0	0	0	106.4
564	Y	23.7	Very low	26.7	Very low	194 Å²	194	156.1 Å²	156.1	76%	0.761	81%	0.809	S	S	*	*			trans	73.4	113.2	171.1	-63.3	-79.7	0	0	0	118.9
565	R	27.1	Very low	26.6	Very low	249 Å²	249	156.4 Å²	156.4	94%	0.94	81%	0.811	S	S	*	*				-161	126.1	106.9	-102.5	178.6	-168.6	168.8	3	110.6
566	I	23.1	Very low	26.5	Very low	141 Å²	141	162.7 Å²	162.7	72%	0.723	82%	0.817	S	S	*	*			trans	-97.9	158.4	164.1	-72	166.2	0	0	0	105.4
567	D	26.2	Very low	26.3	Very low	143 Å²	143	155.4 Å²	155.4	77%	0.765	82%	0.815	S	S	*	*			trans	99.4	99.8	177.9	-53.5	-36.8	0	0	0	114.8
568	D	29.5	Very low	26.1	Very low	171 Å²	171	158.4 Å²	158.4	91%	0.914	82%	0.82	S	S	*	*				-165.4	131.4	110.4	-93.6	-28.7	0	0	0	111.5
569	V	23.1	Very low	26.2	Very low	136 Å²	136	156.6 Å²	156.6	82%	0.824	82%	0.821	S	S	*	*			trans	-88.2	169.8	173.3	168	0	0	0	0	108.4
570	V	27.8	Very low	26.1	Very low	122 Å²	122	156.8 Å²	156.8	74%	0.739	82%	0.816	S	S	*	*			trans	99	106.9	175.7	-170.6	0	0	0	0	111.2
571	G	23.4	Very low	26	Very low	65 Å²	65	155.9 Å²	155.9	67%	0.67	81%	0.814	S	S	*	*			cis	97.2	73.6	36.8	0	0	0	0	0	109.1
572	H	31.4	Very low	26.1	Very low	184 Å²	184	154 Å²	154	85%	0.852	82%	0.818	S	S	*	*			trans	-132.9	98.5	169.2	-85.9	45.4	0	0	0	109.8
573	S	24.2	Very low	25.8	Very low	128 Å²	128	154 Å²	154	90%	0.895	82%	0.815	S	S	*	*			trans	-82.9	114.2	161.4	50.6	0	0	0	0	108.8
574	G	27.7	Very low	26	Very low	70 Å²	70	149.2 Å²	149.2	72%	0.722	82%	0.816	S	S	*	*			trans	-126	100	179.5	0	0	0	0	0	112.3
575	S	27.5	Very low	26.1	Very low	115 Å²	115	145.5 Å²	145.5	80%	0.804	82%	0.819	S	S	*	*			trans	16.6	120.8	148.9	55.9	0	0	0	0	121.8
576	R	23.8	Very low	26.1	Very low	243 Å²	243	137.4 Å²	137.4	92%	0.917	81%	0.813	S	S	*	*				11.9	119.4	128	-83.4	175.1	163	157.8	-5.4	117.7
577	G	28	Very low	26.2	Very low	80 Å²	80	139.8 Å²	139.8	83%	0.825	82%	0.818	S	S	*	*			trans	-131.2	112.1	153.7	0	0	0	0	0	109.8
578	Q	23	Very low	26.2	Very low	190 Å²	190	142.2 Å²	142.2	89%	0.888	83%	0.825	S	S	*	*			trans	-87.9	130.5	167.1	-77.1	172.3	-21.5	0	0	108.5
579	S	27.5	Very low	25.8	Very low	112 Å²	112	143.1 Å²	143.1	78%	0.783	82%	0.817	S	S	*	*			trans	-151.5	103.3	159.7	58.4	0	0	0	0	107.5
580	H	26.2	Very low	26.1	Very low	168 Å²	168	144.9 Å²	144.9	78%	0.778	82%	0.82	S	S	*	*				84.6	92.2	92.5	-144.2	-81.8	0	0	0	112.5
581	E	23	Very low	25.8	Very low	146 Å²	146	145.3 Å²	145.3	68%	0.682	81%	0.813	S	S	*	*			trans	19.1	118.6	136.3	-56.4	-176.5	163.9	0	0	118.6
582	M	28.8	Very low	26.1	Very low	197 Å²	197	149.4 Å²	149.4	97%	0.97	82%	0.82	S	S	*	*			trans	-137.1	107.5	140	-104.4	-169.7	166.2	0	0	109.7
583	F	24.2	Very low	25.7	Very low	201 Å²	201	144.9 Å²	144.9	88%	0.882	81%	0.809	S	S	*	*			trans	-71	130.4	164.3	-96.2	-99.7	0	0	0	109.7
584	G	27.1	Very low	25.9	Very low	78 Å²	78	145.8 Å²	145.8	80%	0.804	80%	0.803	S	S	*	*			trans	-133.9	94.1	168.8	0	0	0	0	0	109.5
585	S	24.8	Very low	25.6	Very low	116 Å²	116	150.6 Å²	150.6	81%	0.811	81%	0.807	S	S	*	*			trans	-70.8	132	-179.9	52.9	0	0	0	0	113
586	G	27.1	Very low	25.6	Very low	80 Å²	80	153 Å²	153	83%	0.825	81%	0.805	S	S	*	*			trans	-141.3	97.8	164.5	0	0	0	0	0	110
587	K	25.7	Very low	25.7	Very low	191 Å²	191	149.5 Å²	149.5	83%	0.83	80%	0.8	S	S	*	*			trans	-84.7	138.3	177.8	-74.9	174	170.8	177.2	0	111.1
588	Q	27	Very low	25.5	Very low	193 Å²	193	149.2 Å²	149.2	90%	0.902	79%	0.789	S	S	*	*			trans	-176.4	100.9	146.5	-108.1	160.3	-15.2	0	0	105.8
589	Y	21.5	Very low	25.6	Very low	191 Å²	191	149.7 Å²	149.7	75%	0.749	79%	0.788	S	S	*	*				53.6	80.8	62.4	-108.4	-80.7	0	0	0	114.1
590	I	28.3	Very low	25.6	Very low	172 Å²	172	151.6 Å²	151.6	88%	0.882	80%	0.796	S	S	*	*			trans	-133.6	125.5	135.8	-64.3	-174.5	0	0	0	107.7
591	Q	22.5	Very low	25.6	Very low	131 Å²	131	151.3 Å²	151.3	61%	0.612	80%	0.8	S	S	*	*			trans	-111.4	137.7	179.7	169	173.4	-18.2	0	0	106.3
592	N	28.5	Very low	25.7	Very low	151 Å²	151	155 Å²	155	81%	0.807	81%	0.807	S	S	*	*			trans	168.4	143	155.9	-85.8	-20	0	0	0	107.4
593	S	24.1	Very low	25.5	Very low	89 Å²	89	151 Å²	151	62%	0.622	80%	0.799	S	S	*	*			cis	170.2	147.8	-16.7	-102.6	0	0	0	0	104.4
594	L	27.2	Very low	25.7	Very low	148 Å²	148	146.1 Å²	146.1	78%	0.775	80%	0.796	S	S	*	*			trans	81.2	104.4	166.1	-52	167.7	0	0	0	115.9
595	E	22.7	Very low	25.6	Very low	171 Å²	171	153.9 Å²	153.9	80%	0.799	80%	0.801	S	S	*	*				70.6	106.8	68.9	-68.9	-178.8	166.7	0	0	112.2
596	E	27.3	Very low	25.7	Very low	165 Å²	165	157 Å²	157	77%	0.771	80%	0.803	S	S	*	*				175.9	127.4	113.4	-94.5	-163.7	164.7	0	0	111.1
597	E	24.9	Very low	25.7	Very low	170 Å²	170	158.9 Å²	158.9	79%	0.794	80%	0.8	S	S	*	*			trans	53.4	152.6	139.9	-55.4	-166.2	157.2	0	0	122.1
598	A	23.7	Very low	25.7	Very low	73 Å²	73	154.7 Å²	154.7	60%	0.603	80%	0.801	S	S	*	*			cis	-172.2	139.3	-32.8	0	0	0	0	0	104.6
599	K	24.9	Very low	25.8	Very low	201 Å²	201	150.8 Å²	150.8	87%	0.874	80%	0.795	S	S	*	*			trans	60.5	97.3	150.3	-61.6	169.1	-178.4	173.6	0	118.1
600	T	28.4	Very low	26.1	Very low	152 Å²	152	146.8 Å²	146.8	93%	0.933	80%	0.795	S	S	*	*			trans	-133	163.1	134.1	47	0	0	0	0	109.4
601	D	26.6	Very low	26	Very low	162 Å²	162	142.3 Å²	142.3	87%	0.866	79%	0.791	S	S	*	*			trans	-83.9	157.9	-130.1	-146.2	-17.5	0	0	0	115.3
602	R	23.6	Very low	26.4	Very low	222 Å²	222	143.3 Å²	143.3	84%	0.838	80%	0.801	S	S	*	*			trans	-73	145.8	179.3	-74.6	173.7	163	176.5	-5.3	111.7
603	S	25.3	Very low	26.4	Very low	114 Å²	114	143.8 Å²	143.8	80%	0.797	80%	0.803	S	S	*	*			trans	62.3	93	139	66.6	0	0	0	0	118.7
604	A	29.4	Very low	26.7	Very low	99 Å²	99	143.3 Å²	143.3	82%	0.818	81%	0.805	S	S	*	*			trans	-124.6	77.9	140.6	0	0	0	0	0	109.1	Q606	A604-Q606 PolarHBondContact O-N 3.39Å
605	R	25.1	Very low	27	Very low	240 Å²	240	145.1 Å²	145.1	91%	0.906	81%	0.81	S	S	*	*			trans	9.5	94.2	149.7	-144.7	173.2	-168.5	-177.9	1.8	115.6
606	Q	25.5	Very low	27.3	Very low	183 Å²	183	148.7 Å²	148.7	86%	0.855	82%	0.816	S	S	*	*			trans	-71.5	127.8	160.9	-72.2	-172.4	-13.4	0	0	109	A604 A608	A604-Q606 PolarHBondContact O-N 3.39Å; Q606-A608 PolarHBondContact O-N 3.26Å
607	P	28	Very low	27.4	Very low	118 Å²	118	151.8 Å²	151.8	77%	0.766	82%	0.82	S	S	*	*			trans	-72.6	125.4	166.1	4.4	10.7	0	0	0	108.2	S609	P607-S609 VanDerWaalsContact C-N 3.33Å; P607-S609 PolarHBondContact O-N 3.4Å
608	A	25.7	Very low	27.7	Very low	103 Å²	103	149.3 Å²	149.3	85%	0.851	82%	0.819	S	S	*	*			trans	-63.3	93	167.2	0	0	0	0	0	109	Q606 S610	Q606-A608 PolarHBondContact O-N 3.26Å; A608-S610 PolarHBondContact O-N 3.32Å
609	S	29.1	Very low	28.5	Very low	112 Å²	112	152.1 Å²	152.1	78%	0.783	82%	0.823	S	S	*	*			trans	-73.6	110	164	52	0	0	0	0	107.4	P607 G611	P607-S609 VanDerWaalsContact C-N 3.33Å; P607-S609 PolarHBondContact O-N 3.4Å; S609-G611 PolarHBondContact O-N 3.35Å
610	S	27.7	Very low	29.4	Very low	106 Å²	106	151 Å²	151	74%	0.741	82%	0.818	S	S	*	*			trans	-45.7	129.3	171.9	-79.6	0	0	0	0	110	A608 N612	A608-S610 PolarHBondContact O-N 3.32Å; S610-N612 PolarHBondContact O-N 3.24Å
611	G	26.7	Very low	29.8	Very low	78 Å²	78	154.9 Å²	154.9	80%	0.804	82%	0.816	S	S	*	*			trans	-60.1	87.2	172.1	0	0	0	0	0	110.1	S609 N613	S609-G611 PolarHBondContact O-N 3.35Å; G611-N613 PolarHBondContact O-N 3.19Å
612	N	29.8	Very low	30.8	Very low	152 Å²	152	151.7 Å²	151.7	81%	0.813	79%	0.793	S	S	*	*			trans	-69.4	98.4	157.6	-84.7	-16	0	0	0	105.6	S610 A614	S610-N612 PolarHBondContact O-N 3.24Å; N612-A614 PolarHBondContact O-N 3.29Å
613	N	27.7	Very low	31.8	Very low	161 Å²	161	147.2 Å²	147.2	86%	0.861	79%	0.79	S	S	*	*			trans	-64	63.7	168.7	-142.1	2.6	0	0	0	107.8	G611 Q615	G611-N613 PolarHBondContact O-N 3.19Å; N613-Q615 PolarHBondContact O-N 3.12Å
614	A	31.1	Very low	33	Very low	80 Å²	80	144.5 Å²	144.5	66%	0.661	76%	0.763	S	S	*	*			trans	-64.7	108	172.3	0	0	0	0	0	105.2	N612 R616	N612-A614 PolarHBondContact O-N 3.29Å; A614-R616 PolarHBondContact O-N 2.72Å
615	Q	32.9	Very low	34.1	Very low	186 Å²	186	144.3 Å²	144.3	87%	0.869	75%	0.751	S	S	*	*			trans	-38.1	97.7	177.7	-70	158.8	-23.5	0	0	110.1	N613 R617	N613-Q615 PolarHBondContact O-N 3.12Å; Q615-R617 VanDerWaalsContact C-N 3.33Å; Q615-R617 PolarHBondContact O-N 2.95Å
616	R	29.7	Very low	35.6	Very low	246 Å²	246	137.2 Å²	137.2	93%	0.928	73%	0.731	S	S	*	*			trans	-60.7	101	168.3	-87.1	-175	169.4	-160.1	-3.8	105.8	A614	A614-R616 PolarHBondContact O-N 2.72Å
617	R	29.6	Very low	37	Very low	229 Å²	229	133.2 Å²	133.2	86%	0.864	72%	0.716	S	S	*	*			trans	-54	134.2	172.1	-83.4	-178.9	163.6	-171.6	-3.4	107.8	Q615 L619	Q615-R617 VanDerWaalsContact C-N 3.33Å; Q615-R617 PolarHBondContact O-N 2.95Å; R617-L619 PolarHBondContact O-N 2.84Å
618	P	32	Very low	38.6	Very low	119 Å²	119	131.7 Å²	131.7	77%	0.773	71%	0.713	S	S	*	*			trans	-58.1	126.9	178.6	21.5	-29.9	0	0	0	109.1	K620	P618-K620 PolarHBondContact O-N 3.12Å
619	L	39.8	Very low	40.3	Very low	131 Å²	131	128.1 Å²	128.1	69%	0.686	68%	0.681	S	S	*	*			trans	-45.6	122.8	172.7	-74.4	144.7	0	0	0	108.4	R617 R621 L829	R617-L619 PolarHBondContact O-N 2.84Å; L619-R621 VanDerWaalsContact C-N 3.25Å; L619-R621 PolarHBondContact O-N 3.4Å; L619-L829 HydrophobicContact CD2-CD2 4.19Å
620	K	43	Very low	41.9	Very low	178 Å²	178	131.4 Å²	131.4	77%	0.774	68%	0.682	S	S	*	*			trans	-62.9	95.3	168.3	-81.3	-176.7	177.9	177.6	0	107	P618 Y622	P618-K620 PolarHBondContact O-N 3.12Å; K620-Y622 WeakPolarHBondContact O-CD2 3.33Å; K620-Y622 PolarHBondContact O-N 2.85Å
621	R	37.7	Very low	43.6	Very low	233 Å²	233	128.2 Å²	128.2	88%	0.879	66%	0.656	S	S	*	*			trans	-73.4	94.9	-178.8	-160.6	173.6	-162.5	161.2	4.6	107.8	L619 T623	L619-R621 VanDerWaalsContact C-N 3.25Å; L619-R621 PolarHBondContact O-N 3.4Å; R621-T623 PolarHBondContact O-N 3.34Å
622	Y	46.6	Very low	45.7	Very low	96 Å²	96	128.9 Å²	128.9	38%	0.376	64%	0.641	S	S	.	*			trans	-63	123.9	167.2	-71	-82.5	0	0	0	107.9	K620 Y624 H806	K620-Y622 WeakPolarHBondContact O-CD2 3.33Å; K620-Y622 PolarHBondContact O-N 2.85Å; Y622-Y624 PolarHBondContact O-N 3.39Å; Y622-H806 HydrophobicContact CE1-CB 4.24Å
623	T	46.4	Very low	47.5	Very low	128 Å²	128	121.8 Å²	121.8	79%	0.785	60%	0.603	S	S	*	*			trans	-78.9	98.8	173.8	47.7	0	0	0	0	108.4	R621 T625	R621-T623 PolarHBondContact O-N 3.34Å; T623-T625 PolarHBondContact O-N 2.92Å
624	Y	50.2	Low	49	Very low	57 Å²	57	117.7 Å²	117.7	22%	0.224	59%	0.591	C	S	.	*			trans	-71.1	111.6	172.9	-58.8	-68.2	0	0	0	109.1	Y622 N626 Q808 P871 D872	Y622-Y624 PolarHBondContact O-N 3.39Å; Y624-N626 PolarHBondContact O-N 3.42Å; Y624-Q808 PolarHBondContact OH-NE2 3.16Å; Y624-Q808 PolarHBondContact OH-OE1 3.23Å; Y624-Q808 VanDerWaalsContact OH-OE1 3.12Å; Y624-P871 HydrophobicContact CD1-CB 3.18Å; Y624-P871 HydrophobicContact CD1-CG 4.06Å; Y624-P871 HydrophobicContact CE1-CB 3.5Å; Y624-P871 HydrophobicContact CG-CB 3.79Å; Y624-D872 HydrophobicContact CD2-CB 3.92Å; Y624-D872 HydrophobicContact CE2-CB 4.34Å
625	T	52.4	Low	50.5	Low	94 Å²	94	123.6 Å²	123.6	58%	0.577	60%	0.597	S	S	*	*			trans	-75.2	117.1	172.1	54.6	0	0	0	0	108.2	T623 N627	T623-T625 PolarHBondContact O-N 2.92Å; T625-N627 PolarHBondContact O-N 3.01Å; T625-N627 PolarHBondContact OG1-ND2 3.16Å
626	N	55	Low	52	Low	91 Å²	91	116.4 Å²	116.4	49%	0.487	56%	0.562	S	S	.	*			trans	-71.7	56	169.4	-73	-29.5	0	0	0	110.7	Y624 R874	Y624-N626 PolarHBondContact O-N 3.42Å; N626-R874 VanDerWaalsContact CG-NH2 3.29Å; N626-R874 PolarHBondContact ND2-NH2 3.37Å; N626-R874 PolarHBondContact OD1-NH2 3.18Å
627	N	56.9	Low	53.7	Low	100 Å²	100	106.4 Å²	106.4	54%	0.535	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-69.6	141.2	174.3	-71.1	-19.3	0	0	0	108.4	T625	T625-N627 PolarHBondContact O-N 3.01Å; T625-N627 PolarHBondContact OG1-ND2 3.16Å
628	A	60.2	Low	56.3	Low	85 Å²	85	105.3 Å²	105.3	70%	0.702	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-54.6	135.8	169.6	0	0	0	0	0	109	K630	A628-K630 PolarHBondContact O-N 2.95Å
629	P	60.9	Low	58.8	Low	28 Å²	28	101.2 Å²	101.2	18%	0.182	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-63.9	134.6	-178.2	29.7	-36.3	0	0	0	108.9	N631 Y633 F855 F876	P629-N631 WeakPolarHBondContact CB-O 3.41Å; P629-N631 WeakPolarHBondContact CG-O 3.35Å; P629-N631 PolarHBondContact O-N 3.37Å; P629-Y633 HydrophobicContact CB-CD2 3.8Å; P629-Y633 HydrophobicContact CB-CE2 4.05Å; P629-Y633 HydrophobicContact CG-CD2 4.37Å; P629-F855 HydrophobicContact CB-CE2 3.91Å; P629-F855 HydrophobicContact CB-CZ 3.89Å; P629-F855 HydrophobicContact CG-CZ 4.39Å; P629-F876 HydrophobicContact CG-CE1 4.26Å; P629-F876 HydrophobicContact CG-CE2 4.36Å; P629-F876 HydrophobicContact CG-CZ 3.67Å
630	K	63	Low	61.1	Low	182 Å²	182	100.1 Å²	100.1	79%	0.791	50%	0.496	S	S	*	.	S	Bend	trans	-58.3	-37.1	173.9	-74.2	176.1	179.9	179.6	0	109.4	A628	A628-K630 PolarHBondContact O-N 2.95Å
631	N	64.5	Low	63.4	Low	38 Å²	38	94 Å²	94	20%	0.203	47%	0.472	C	S	.	.	S	Bend	trans	-89.9	132.6	172.5	-67.7	-35.6	0	0	0	110.5	P629 Y633 G901	P629-N631 WeakPolarHBondContact CB-O 3.41Å; P629-N631 WeakPolarHBondContact CG-O 3.35Å; P629-N631 PolarHBondContact O-N 3.37Å; N631-Y633 HydrophobicContact CB-CD1 4.2Å; N631-Y633 HydrophobicContact CB-CD2 4.36Å; N631-Y633 HydrophobicContact CB-CE1 3.69Å; N631-Y633 HydrophobicContact CB-CE2 3.91Å; N631-Y633 HydrophobicContact CB-CG 4.48Å; N631-Y633 PolarHBondContact ND2-OH 3.2Å; N631-Y633 VanDerWaalsContact ND2-OH 3.15Å; N631-Y633 PolarHBondContact O-N 3.12Å; N631-G901 VanDerWaalsContact ND2-CA 3.32Å; N631-G901 WeakPolarHBondContact ND2-CA 3.2Å
632	N	69.9	Low	66	Low	92 Å²	92	87.4 Å²	87.4	49%	0.492	45%	0.45	S	S	.	.			trans	-79.8	70.3	179.4	-160.9	-15.2	0	0	0	111.1	A634 R635 K636	N632-A634 PolarHBondContact O-N 3.47Å; N632-R635 PolarHBondContact O-N 3.22Å; N632-K636 PolarHBondContact O-N 3.42Å
633	Y	68.4	Low	68.4	Low	4 Å²	4	84 Å²	84	2%	0.016	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-59.3	-27.1	-176.2	-66.7	-56	0	0	0	113.3	P629 N631 R635 K636 D851 F857 I868 I903	P629-Y633 HydrophobicContact CB-CD2 3.8Å; P629-Y633 HydrophobicContact CB-CE2 4.05Å; P629-Y633 HydrophobicContact CG-CD2 4.37Å; N631-Y633 HydrophobicContact CB-CD1 4.2Å; N631-Y633 HydrophobicContact CB-CD2 4.36Å; N631-Y633 HydrophobicContact CB-CE1 3.69Å; N631-Y633 HydrophobicContact CB-CE2 3.91Å; N631-Y633 HydrophobicContact CB-CG 4.48Å; N631-Y633 PolarHBondContact ND2-OH 3.2Å; N631-Y633 VanDerWaalsContact ND2-OH 3.15Å; N631-Y633 PolarHBondContact O-N 3.12Å; Y633-R635 PolarHBondContact O-N 2.93Å; Y633-R635 VanDerWaalsContact O-N 3.11Å; Y633-K636 HydrophobicContact CD1-CD 3.88Å; Y633-K636 HydrophobicContact CD1-CG 4.49Å; Y633-K636 HydrophobicContact CE1-CD 4.16Å; Y633-K636 PolarHBondContact O-N 2.87Å; Y633-D851 WeakPolarHBondContact CE2-OD2 3.38Å; Y633-D851 PolarHBondContact OH-OD2 3.32Å; Y633-F857 HydrophobicContact CD1-CE1 4.01Å; Y633-F857 AromaticContact CD1-CZ 3.94Å; Y633-F857 HydrophobicContact CD1-CZ 3.94Å; Y633-F857 HydrophobicContact CD2-CZ 4.21Å; Y633-F857 AromaticContact CE1-CE1 3.96Å; Y633-F857 HydrophobicContact CE1-CE1 3.96Å; Y633-F857 AromaticContact CE1-CZ 3.56Å; Y633-F857 HydrophobicContact CE1-CZ 3.56Å; Y633-F857 AromaticContact CE2-CZ 3.82Å; Y633-F857 HydrophobicContact CE2-CZ 3.82Å; Y633-F857 HydrophobicContact CG-CE1 4.48Å; Y633-F857 HydrophobicContact CG-CZ 4.28Å; Y633-F857 AromaticContact CZ-CZ 3.5Å; Y633-I868 HydrophobicContact CD1-CD1 4.38Å; Y633-I868 HydrophobicContact CG-CD1 4.13Å; Y633-I903 HydrophobicContact CD1-CD1 4.26Å
634	A	59.5	Low	70.6	Confident	74 Å²	74	79 Å²	79	61%	0.612	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-60.1	-21.1	173.2	0	0	0	0	0	113.3	N632	N632-A634 PolarHBondContact O-N 3.47Å
635	R	61.4	Low	72.7	Confident	205 Å²	205	81.4 Å²	81.4	77%	0.774	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-105.2	-5.3	175.4	-67.7	-172.8	175.1	-169	-1.2	114.1	N632 Y633 G637	N632-R635 PolarHBondContact O-N 3.22Å; Y633-R635 PolarHBondContact O-N 2.93Å; Y633-R635 VanDerWaalsContact O-N 3.11Å; R635-G637 PolarHBondContact O-N 2.61Å
636	K	64.7	Low	74.8	Confident	35 Å²	35	83.7 Å²	83.7	15%	0.152	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	11.3	-176.6	-75.5	-160.6	170.1	-177.6	0	114.7	N632 Y633 R638 D900 G901 F916	N632-K636 PolarHBondContact O-N 3.42Å; Y633-K636 HydrophobicContact CD1-CD 3.88Å; Y633-K636 HydrophobicContact CD1-CG 4.49Å; Y633-K636 HydrophobicContact CE1-CD 4.16Å; Y633-K636 PolarHBondContact O-N 2.87Å; K636-R638 PolarHBondContact O-N 3.38Å; K636-R638 VanDerWaalsContact O-N 3.15Å; K636-D900 PolarHBondContact NZ-O 3.18Å; K636-G901 PolarHBondContact NZ-O 3.15Å; K636-F916 WeakPolarHBondContact O-CB 3.19Å
637	G	66.6	Low	76.7	Confident	36 Å²	36	80.3 Å²	80.3	37%	0.371	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-5.3	172.7	0	0	0	0	0	115	R635	R635-G637 PolarHBondContact O-N 2.61Å
638	R	82.4	Confident	78.5	Confident	206 Å²	206	80.8 Å²	80.8	78%	0.777	42%	0.416	S	S	*	.	S	Bend	trans	-89.3	116.4	179.9	-178.2	-177.7	177.8	-175.4	0.7	110.4	K636 I640	K636-R638 PolarHBondContact O-N 3.38Å; K636-R638 VanDerWaalsContact O-N 3.15Å; R638-I640 PolarHBondContact O-N 3.29Å
639	M	85.1	Confident	80.2	Confident	32 Å²	32	79.3 Å²	79.3	16%	0.158	40%	0.4	C	S	.	.			trans	-56.8	127.9	171	-174.1	-158.6	73.6	0	0	111.2	K642 D886 Q914 F916	M639-K642 HydrophobicContact CE-CB 4.47Å; M639-K642 HydrophobicContact CE-CD 3.99Å; M639-K642 HydrophobicContact CE-CG 4.33Å; M639-K642 HydrophobicContact SD-CB 3.78Å; M639-K642 HydrophobicContact SD-CD 3.91Å; M639-K642 HydrophobicContact SD-CG 4.2Å; M639-D886 HydrophobicContact CE-CB 3.56Å; M639-D886 VanDerWaalsContact CE-CG 3.49Å; M639-D886 WeakPolarHBondContact CE-OD2 3.31Å; M639-D886 HydrophobicContact SD-CB 3.88Å; M639-Q914 HydrophobicContact SD-CG 4.4Å; M639-Q914 PolarHBondContact SD-OE1 2.69Å; M639-F916 HydrophobicContact CB-CD1 4.23Å; M639-F916 HydrophobicContact CB-CE1 3.97Å; M639-F916 HydrophobicContact CB-CZ 4.45Å
640	I	87.7	Confident	81.8	Confident	108 Å²	108	81.9 Å²	81.9	55%	0.554	42%	0.417	S	S	*	.			trans	-94.1	-45.5	178	-61.2	174.7	0	0	0	110.3	R638 L902 V915 F916	R638-I640 PolarHBondContact O-N 3.29Å; I640-L902 HydrophobicContact CD1-CD2 3.62Å; I640-V915 PolarHBondContact N-O 3.21Å; I640-F916 WeakPolarHBondContact CD1-OXT 3.29Å
641	L	91.7	Very high	83.2	Confident	51 Å²	51	74 Å²	74	27%	0.267	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	144	-174.5	179.3	78.1	0	0	0	109.6	F643 R684 V915	L641-F643 HydrophobicContact CD2-CD1 3.81Å; L641-F643 HydrophobicContact CD2-CE1 4.1Å; L641-F643 HydrophobicContact CG-CD1 4.18Å; L641-R684 VanDerWaalsContact CD2-O 3.28Å; L641-R684 WeakPolarHBondContact CD2-O 3.49Å; L641-V915 HydrophobicContact CB-CB 4.12Å; L641-V915 HydrophobicContact CB-CG2 4.31Å; L641-V915 HydrophobicContact CD2-CG2 4.22Å; L641-V915 PolarHBondContact N-O 3.09Å; L641-V915 PolarHBondContact O-N 2.88Å
642	K	93.2	Very high	84.7	Confident	94 Å²	94	74.3 Å²	74.3	41%	0.409	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141.7	166.1	68	-170.6	-175.1	-161.9	0	109.2	M639 D886 I913 Q914	M639-K642 HydrophobicContact CE-CB 4.47Å; M639-K642 HydrophobicContact CE-CD 3.99Å; M639-K642 HydrophobicContact CE-CG 4.33Å; M639-K642 HydrophobicContact SD-CB 3.78Å; M639-K642 HydrophobicContact SD-CD 3.91Å; M639-K642 HydrophobicContact SD-CG 4.2Å; K642-D886 WeakPolarHBondContact CD-OD1 3.31Å; K642-D886 WeakPolarHBondContact CE-OD1 3.22Å; K642-D886 IonicContact NZ-OD1 2.97Å; K642-D886 PolarHBondContact NZ-OD1 2.82Å; K642-D886 IonicContact NZ-OD2 3.98Å; K642-D886 PolarHBondContact NZ-OD2 3.47Å; K642-I913 WeakPolarHBondContact CA-O 3.35Å; K642-Q914 HydrophobicContact CB-CG 4.16Å
643	F	95.5	Very high	86	Confident	23 Å²	23	70 Å²	70	10%	0.101	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	155.3	174	61.3	-86.5	0	0	0	111	L641 F653 I670 F681 I913 V915	L641-F643 HydrophobicContact CD2-CD1 3.81Å; L641-F643 HydrophobicContact CD2-CE1 4.1Å; L641-F643 HydrophobicContact CG-CD1 4.18Å; F643-F653 HydrophobicContact CD2-CE2 4.31Å; F643-F653 HydrophobicContact CE2-CE2 4.45Å; F643-F653 HydrophobicContact CE2-CZ 4.38Å; F643-I670 HydrophobicContact CE2-CD1 4.08Å; F643-I670 HydrophobicContact CZ-CD1 4.31Å; F643-F681 AromaticContact CD2-CD1 3.75Å; F643-F681 HydrophobicContact CD2-CD1 3.75Å; F643-F681 AromaticContact CD2-CE1 3.79Å; F643-F681 HydrophobicContact CD2-CE1 3.79Å; F643-F681 HydrophobicContact CD2-CG 4.3Å; F643-F681 HydrophobicContact CD2-CZ 4.37Å; F643-F681 HydrophobicContact CE2-CB 4.16Å; F643-F681 AromaticContact CE2-CD1 3.6Å; F643-F681 HydrophobicContact CE2-CD1 3.6Å; F643-F681 HydrophobicContact CE2-CD2 4.06Å; F643-F681 AromaticContact CE2-CE1 3.93Å; F643-F681 HydrophobicContact CE2-CE1 3.93Å; F643-F681 HydrophobicContact CE2-CE2 4.34Å; F643-F681 AromaticContact CE2-CG 3.67Å; F643-F681 HydrophobicContact CE2-CG 3.67Å; F643-F681 HydrophobicContact CE2-CZ 4.29Å; F643-F681 HydrophobicContact CZ-CB 4.4Å; F643-F681 HydrophobicContact CZ-CG 4.39Å; F643-I913 HydrophobicContact CD1-CB 4.44Å; F643-I913 HydrophobicContact CD2-CB 4.32Å; F643-I913 HydrophobicContact CE1-CB 3.97Å; F643-I913 HydrophobicContact CE1-CG2 3.82Å; F643-I913 HydrophobicContact CE2-CB 3.84Å; F643-I913 HydrophobicContact CE2-CG1 3.99Å; F643-I913 HydrophobicContact CE2-CG2 4.28Å; F643-I913 HydrophobicContact CZ-CB 3.65Å; F643-I913 HydrophobicContact CZ-CG1 4.16Å; F643-I913 HydrophobicContact CZ-CG2 3.59Å; F643-I913 PolarHBondContact N-O 3.47Å; F643-I913 PolarHBondContact O-N 3.1Å; F643-V915 HydrophobicContact CE1-CG2 4.3Å
644	G	93.1	Very high	87.3	Confident	25 Å²	25	71.7 Å²	71.7	26%	0.258	37%	0.374	S	S	.	.			trans	91.4	151	-172.9	0	0	0	0	0	113.8	G651 H911 R912	G644-G651 WeakPolarHBondContact CA-O 3.45Å; G644-H911 CarbonylContact C-O 3.59Å; G644-R912 WeakPolarHBondContact O-CB 3.22Å
645	H	94.4	Very high	89.1	Confident	107 Å²	107	73 Å²	73	50%	0.495	36%	0.363	S	S	.	.			trans	-153.4	171.3	170.3	61.9	82.8	0	0	0	108.4	G647 Q652 F653 H911	H645-G647 PolarHBondContact O-N 3.45Å; H645-Q652 VanDerWaalsContact CE1-CD 3.46Å; H645-Q652 VanDerWaalsContact CE1-CG 3.47Å; H645-Q652 WeakPolarHBondContact CE1-CG 2.98Å; H645-Q652 PolarHBondContact CE1-NE2 2.88Å; H645-Q652 VanDerWaalsContact CE1-NE2 3.28Å; H645-Q652 WeakPolarHBondContact O-CA 3.03Å; H645-F653 PolarHBondContact O-N 2.87Å; H645-H911 CarbonylContact C-O 3.46Å; H645-H911 VanDerWaalsContact CA-O 3.3Å; H645-H911 WeakPolarHBondContact CA-O 3.44Å; H645-H911 PolarHBondContact N-O 2.88Å
646	K	96.7	Very high	90.8	Very high	141 Å²	141	63.3 Å²	63.3	61%	0.613	33%	0.326	S	S	*	.	B	Isolated β-bridge	trans	-56.8	129.5	179.1	-168.1	172.4	-173.3	168	0	111.4	F653 H911	K646-F653 VanDerWaalsContact CA-O 3.27Å; K646-F653 WeakPolarHBondContact CA-O 3.43Å; K646-H911 HydrophobicContact CB-CB 3.92Å
647	G	95.6	Very high	92.3	Very high	21 Å²	21	62.3 Å²	62.3	22%	0.216	32%	0.322	C	S	.	.	S	Bend	trans	157.1	-175.5	172.9	0	0	0	0	0	113.2	H645 Q652 F653 N675	H645-G647 PolarHBondContact O-N 3.45Å; G647-Q652 VanDerWaalsContact CA-OE1 3.27Å; G647-F653 PolarHBondContact N-O 3.49Å; G647-F653 CarbonylContact O-C 3.58Å; G647-F653 VanDerWaalsContact O-C 3.27Å; G647-N675 PolarHBondContact O-ND2 3.27Å
648	D	94.4	Very high	93.7	Very high	110 Å²	110	60.6 Å²	60.6	59%	0.588	30%	0.304	S	S	*	.	S	Bend	trans	-120	-5.1	-173.6	65.6	-12.1	0	0	0	113.2	R677	D648-R677 PolarHBondContact O-NH1 3.19Å; D648-R677 PolarHBondContact O-NH2 3.01Å; D648-R677 VanDerWaalsContact O-NH2 3.1Å
649	S	95.5	Very high	94.4	Very high	53 Å²	53	50.8 Å²	50.8	37%	0.371	27%	0.267	S	S	.	.	S	Bend	trans	-79.5	164.3	177.6	-59.6	0	0	0	0	111.6	G651 Q652 R677	S649-G651 PolarHBondContact O-N 3.3Å; S649-Q652 VanDerWaalsContact N-OE1 3.1Å; S649-Q652 VanDerWaalsContact O-CB 3.32Å; S649-Q652 WeakPolarHBondContact O-CB 3.23Å; S649-Q652 PolarHBondContact O-N 2.71Å; S649-R677 PolarHBondContact O-NH2 3Å
650	P	94.5	Very high	95	Very high	83 Å²	83	49.4 Å²	49.4	54%	0.539	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	132.5	174.9	-27.9	36.7	0	0	0	112.5	Q652 F687	P650-Q652 VanDerWaalsContact C-N 3.25Å; P650-Q652 PolarHBondContact O-N 2.78Å; P650-F687 HydrophobicContact CB-CD1 4.04Å; P650-F687 HydrophobicContact CB-CD2 4.37Å; P650-F687 HydrophobicContact CB-CE1 3.7Å; P650-F687 HydrophobicContact CB-CE2 4.04Å; P650-F687 HydrophobicContact CB-CG 4.37Å; P650-F687 HydrophobicContact CB-CZ 3.69Å
651	G	92.4	Very high	95.4	Very high	17 Å²	17	45.9 Å²	45.9	18%	0.175	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-11.5	-175.3	0	0	0	0	0	114.9	G644 S649	G644-G651 WeakPolarHBondContact CA-O 3.45Å; S649-G651 PolarHBondContact O-N 3.3Å
652	Q	96.2	Very high	95.5	Very high	44 Å²	44	44.3 Å²	44.3	21%	0.206	24%	0.235	C	C	.	.			trans	-97.5	154.5	173.8	-52.5	177.4	-9.9	0	0	110	H645 G647 S649 P650 R677 Q679	H645-Q652 VanDerWaalsContact CE1-CD 3.46Å; H645-Q652 VanDerWaalsContact CE1-CG 3.47Å; H645-Q652 WeakPolarHBondContact CE1-CG 2.98Å; H645-Q652 PolarHBondContact CE1-NE2 2.88Å; H645-Q652 VanDerWaalsContact CE1-NE2 3.28Å; H645-Q652 WeakPolarHBondContact O-CA 3.03Å; G647-Q652 VanDerWaalsContact CA-OE1 3.27Å; S649-Q652 VanDerWaalsContact N-OE1 3.1Å; S649-Q652 VanDerWaalsContact O-CB 3.32Å; S649-Q652 WeakPolarHBondContact O-CB 3.23Å; S649-Q652 PolarHBondContact O-N 2.71Å; P650-Q652 VanDerWaalsContact C-N 3.25Å; P650-Q652 PolarHBondContact O-N 2.78Å; Q652-R677 PolarHBondContact O-NH2 3.21Å; Q652-Q679 PolarHBondContact O-NE2 3.18Å
653	F	97.1	Very high	95.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-129.3	154.7	-179.1	-60.4	-77.9	0	0	0	112.5	F643 H645 K646 G647 P656 I670 D672 Q679 F681 I913	F643-F653 HydrophobicContact CD2-CE2 4.31Å; F643-F653 HydrophobicContact CE2-CE2 4.45Å; F643-F653 HydrophobicContact CE2-CZ 4.38Å; H645-F653 PolarHBondContact O-N 2.87Å; K646-F653 VanDerWaalsContact CA-O 3.27Å; K646-F653 WeakPolarHBondContact CA-O 3.43Å; G647-F653 PolarHBondContact N-O 3.49Å; G647-F653 CarbonylContact O-C 3.58Å; G647-F653 VanDerWaalsContact O-C 3.27Å; F653-P656 HydrophobicContact CB-CB 4.23Å; F653-P656 HydrophobicContact CB-CG 4.05Å; F653-P656 HydrophobicContact CD1-CB 4.12Å; F653-P656 HydrophobicContact CG-CB 4.21Å; F653-P656 HydrophobicContact CG-CG 4.33Å; F653-I670 HydrophobicContact CD1-CG2 4.17Å; F653-I670 HydrophobicContact CE1-CB 4.07Å; F653-I670 HydrophobicContact CE1-CG2 3.59Å; F653-I670 HydrophobicContact CZ-CD1 4.14Å; F653-I670 HydrophobicContact CZ-CG2 4.22Å; F653-D672 HydrophobicContact CD1-CB 4.06Å; F653-Q679 HydrophobicContact CE1-CB 4.31Å; F653-F681 AromaticContact CE1-CE2 3.83Å; F653-F681 HydrophobicContact CE1-CE2 3.83Å; F653-F681 HydrophobicContact CE1-CZ 4.09Å; F653-F681 HydrophobicContact CE2-CE2 4.36Å; F653-F681 AromaticContact CE2-CZ 4Å; F653-F681 HydrophobicContact CE2-CZ 4Å; F653-F681 HydrophobicContact CZ-CD2 4.32Å; F653-F681 HydrophobicContact CZ-CE1 4.37Å; F653-F681 AromaticContact CZ-CE2 3.33Å; F653-F681 HydrophobicContact CZ-CE2 3.33Å; F653-F681 AromaticContact CZ-CZ 3.36Å; F653-F681 HydrophobicContact CZ-CZ 3.36Å; F653-I913 HydrophobicContact CE2-CG1 4.02Å; F653-I913 HydrophobicContact CZ-CG1 4.06Å
654	N	96.4	Very high	94.7	Very high	41 Å²	41	47.3 Å²	47.3	22%	0.219	26%	0.261	C	S	.	.	S	Bend	trans	-131.6	103.6	166.9	-166.6	10.1	0	0	0	109.3	D672 S674 N675 H911	N654-D672 PolarHBondContact N-OD1 2.97Å; N654-S674 VanDerWaalsContact CG-CB 3.49Å; N654-S674 WeakPolarHBondContact ND2-CB 3.29Å; N654-S674 VanDerWaalsContact O-CB 3.32Å; N654-S674 WeakPolarHBondContact O-CB 3.39Å; N654-S674 PolarHBondContact O-N 3.36Å; N654-N675 WeakPolarHBondContact CB-ND2 3.37Å; N654-N675 WeakPolarHBondContact CB-OD1 3.3Å; N654-N675 PolarHBondContact N-ND2 3.06Å; N654-H911 PolarHBondContact OD1-CE1 2.89Å
655	W	95.9	Very high	94.4	Very high	102 Å²	102	47.3 Å²	47.3	39%	0.386	26%	0.262	S	S	.	.	S	Bend	trans	51.1	67.4	-171.9	-62.3	-18.8	0	0	0	113.2	S673 R908 H911	W655-S673 VanDerWaalsContact O-CB 3.32Å; W655-S673 WeakPolarHBondContact O-CB 3.44Å; W655-S673 PolarHBondContact O-N 3.21Å; W655-S673 PolarHBondContact O-OG 3.22Å; W655-R908 HydrophobicContact CB-CG 3.86Å; W655-R908 HydrophobicContact CG-CG 4.15Å; W655-H911 AromaticContact CD1-CE1 3.35Å; W655-H911 AromaticContact CD1-ND1 3.9Å; W655-H911 PolarHBondContact N-ND1 2.87Å; W655-H911 AromaticContact NE1-CE1 3.6Å
656	P	97	Very high	94.2	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	140.4	171.4	29.6	-33.6	0	0	0	109.6	F653 I670 C671 S906 I913	F653-P656 HydrophobicContact CB-CB 4.23Å; F653-P656 HydrophobicContact CB-CG 4.05Å; F653-P656 HydrophobicContact CD1-CB 4.12Å; F653-P656 HydrophobicContact CG-CB 4.21Å; F653-P656 HydrophobicContact CG-CG 4.33Å; P656-I670 HydrophobicContact CB-CG2 3.97Å; P656-C671 WeakPolarHBondContact CA-O 3.48Å; P656-S906 PolarHBondContact O-OG 2.87Å; P656-I913 HydrophobicContact CB-CD1 4.07Å; P656-I913 HydrophobicContact CG-CD1 4.32Å
657	R	96.5	Very high	94.1	Very high	14 Å²	14	44.5 Å²	44.5	5%	0.053	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	-98.4	-179.9	-64.9	-176.1	-174.9	-83.5	-1.5	110.6	C671 S673 A705 E893 D894 S906	R657-C671 PolarHBondContact N-O 3.45Å; R657-S673 WeakPolarHBondContact CB-OG 3.23Å; R657-S673 WeakPolarHBondContact CD-OG 3.47Å; R657-S673 WeakPolarHBondContact CG-OG 3.34Å; R657-A705 WeakPolarHBondContact CB-O 3.43Å; R657-E893 HydrophobicContact CB-CB 4.35Å; R657-E893 HydrophobicContact CB-CG 4.46Å; R657-E893 HydrophobicContact CG-CB 4.49Å; R657-E893 HydrophobicContact CG-CG 4.07Å; R657-E893 IonicContact NH1-OE1 2.74Å; R657-E893 PolarHBondContact NH1-OE1 2.97Å; R657-E893 IonicContact NH1-OE2 3.17Å; R657-E893 PolarHBondContact NH1-OE2 3.2Å; R657-E893 VanDerWaalsContact NH1-OE2 3.07Å; R657-D894 WeakPolarHBondContact O-CB 3.42Å; R657-S906 WeakPolarHBondContact O-CB 3.1Å; R657-S906 PolarHBondContact O-OG 3.01Å; R657-S906 VanDerWaalsContact O-OG 3.1Å
658	G	96.5	Very high	94.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	140.4	-175.2	0	0	0	0	0	113.4	C671 A705	G658-C671 PolarHBondContact O-N 2.82Å; G658-A705 VanDerWaalsContact CA-O 3.25Å; G658-A705 WeakPolarHBondContact CA-O 3.5Å; G658-A705 PolarHBondContact N-O 2.94Å
659	L	97	Very high	94.3	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	142.4	176.2	-66.5	178.8	0	0	0	109.9	V669 I670 D894 R896 I904 I913	L659-V669 CarbonylContact C-O 3.51Å; L659-V669 WeakPolarHBondContact CA-O 3.28Å; L659-I670 HydrophobicContact CD2-CB 4.03Å; L659-I670 HydrophobicContact CD2-CD1 4.42Å; L659-I670 HydrophobicContact CD2-CG1 3.22Å; L659-I670 HydrophobicContact CD2-CG2 4.06Å; L659-D894 HydrophobicContact CB-CB 4.24Å; L659-D894 HydrophobicContact CG-CB 4.19Å; L659-D894 PolarHBondContact N-OD2 3.03Å; L659-R896 HydrophobicContact CB-CG 3.86Å; L659-R896 PolarHBondContact O-NE 2.98Å; L659-R896 PolarHBondContact O-NH2 2.94Å; L659-I904 HydrophobicContact CD1-CG2 4.1Å; L659-I913 HydrophobicContact CD2-CD1 3.9Å
660	A	97.1	Very high	94.4	Very high	2 Å²	2	36 Å²	36	2%	0.017	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	149.1	168.4	0	0	0	0	0	110.9	V669 I707 V709	A660-V669 HydrophobicContact CB-CB 4.49Å; A660-V669 PolarHBondContact N-O 2.8Å; A660-V669 PolarHBondContact O-N 2.84Å; A660-I707 HydrophobicContact CB-CG1 4.25Å; A660-I707 HydrophobicContact CB-CG2 3.98Å; A660-V709 HydrophobicContact CB-CG2 3.65Å
661	L	95.8	Very high	94.5	Very high	35 Å²	35	32 Å²	32	18%	0.183	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	139.6	172.5	-68.5	172.5	0	0	0	108.6	V668 R896 V897 T898 I904	L661-V668 HydrophobicContact CD2-CB 4.49Å; L661-V668 HydrophobicContact CD2-CG2 3.88Å; L661-R896 HydrophobicContact CD1-CB 4.11Å; L661-R896 HydrophobicContact CG-CB 4.15Å; L661-V897 WeakPolarHBondContact CD1-O 3.34Å; L661-T898 HydrophobicContact CD1-CG2 3.6Å; L661-T898 HydrophobicContact CD2-CG2 4.11Å; L661-I904 HydrophobicContact CD2-CD1 3.82Å
662	T	93.8	Very high	94.7	Very high	17 Å²	17	31.2 Å²	31.2	10%	0.104	16%	0.16	C	C	.	.			trans	-67	153	168.1	45.5	0	0	0	0	110.5	N664 G665 E667 V669	T662-N664 PolarHBondContact O-N 3.1Å; T662-N664 VanDerWaalsContact O-N 3.1Å; T662-N664 PolarHBondContact OG1-OD1 2.83Å; T662-G665 WeakPolarHBondContact O-CA 3.31Å; T662-G665 PolarHBondContact O-N 2.8Å; T662-E667 HydrophobicContact CG2-CB 3.82Å; T662-E667 PolarHBondContact N-O 2.75Å; T662-E667 WeakPolarHBondContact OG1-CA 3.49Å; T662-E667 WeakPolarHBondContact OG1-CB 3.21Å; T662-E667 PolarHBondContact OG1-N 2.87Å; T662-E667 PolarHBondContact OG1-O 2.84Å; T662-V669 HydrophobicContact CG2-CG2 4.25Å
663	P	87.7	Confident	94.6	Very high	81 Å²	81	29.1 Å²	29.1	53%	0.526	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.1	-176.4	-27.6	35.5	0	0	0	114.5	G665 N710	P663-G665 PolarHBondContact O-N 2.87Å; P663-N710 WeakPolarHBondContact CG-O 3.12Å
664	N	85.7	Confident	94.5	Very high	99 Å²	99	30.3 Å²	30.3	53%	0.529	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-5.9	176.1	65.4	16.4	0	0	0	113.4	T662 K666	T662-N664 PolarHBondContact O-N 3.1Å; T662-N664 VanDerWaalsContact O-N 3.1Å; T662-N664 PolarHBondContact OG1-OD1 2.83Å; N664-K666 HydrophobicContact CB-CG 4.41Å; N664-K666 PolarHBondContact O-N 3.07Å; N664-K666 WeakPolarHBondContact OD1-CB 3.48Å; N664-K666 PolarHBondContact OD1-N 2.73Å
665	G	86.1	Confident	94.5	Very high	26 Å²	26	29.8 Å²	29.8	27%	0.268	16%	0.156	S	C	.	.	S	Bend	trans	67.8	8	-177.9	0	0	0	0	0	115.2	T662 P663	T662-G665 WeakPolarHBondContact O-CA 3.31Å; T662-G665 PolarHBondContact O-N 2.8Å; P663-G665 PolarHBondContact O-N 2.87Å
666	K	89.6	Confident	94.5	Very high	143 Å²	143	26.8 Å²	26.8	62%	0.622	15%	0.146	S	C	*	.	S	Bend	trans	-92.3	-25.9	-172.8	-64.5	-176.1	179.8	179.5	0	113.5	N664 D682 I683	N664-K666 HydrophobicContact CB-CG 4.41Å; N664-K666 PolarHBondContact O-N 3.07Å; N664-K666 WeakPolarHBondContact OD1-CB 3.48Å; N664-K666 PolarHBondContact OD1-N 2.73Å; K666-D682 CarbonylContact O-C 3.54Å; K666-D682 WeakPolarHBondContact O-CA 3.5Å; K666-I683 PolarHBondContact O-N 3.43Å
667	E	94.9	Very high	94.5	Very high	46 Å²	46	28 Å²	28	22%	0.215	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.9	-177.7	-52.3	-179.4	149.1	0	0	111.2	T662 V680 F681 L688 R689	T662-E667 HydrophobicContact CG2-CB 3.82Å; T662-E667 PolarHBondContact N-O 2.75Å; T662-E667 WeakPolarHBondContact OG1-CA 3.49Å; T662-E667 WeakPolarHBondContact OG1-CB 3.21Å; T662-E667 PolarHBondContact OG1-N 2.87Å; T662-E667 PolarHBondContact OG1-O 2.84Å; E667-V680 HydrophobicContact CB-CG1 3.99Å; E667-F681 CarbonylContact C-O 3.52Å; E667-F681 WeakPolarHBondContact CA-O 3.31Å; E667-L688 HydrophobicContact CG-CD1 3.94Å; E667-L688 WeakPolarHBondContact OE1-CD1 3.37Å; E667-R689 IonicContact OE1-CZ 3.63Å; E667-R689 IonicContact OE1-NH1 3.86Å; E667-R689 IonicContact OE1-NH2 3.33Å; E667-R689 PolarHBondContact OE1-NH2 2.8Å; E667-R689 IonicContact OE2-NH2 2.85Å; E667-R689 PolarHBondContact OE2-NH2 2.95Å
668	V	96.3	Very high	94.5	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.018	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.1	175.8	-171.3	0	0	0	0	108.1	L661 I670 V680 F681 I683 I904	L661-V668 HydrophobicContact CD2-CB 4.49Å; L661-V668 HydrophobicContact CD2-CG2 3.88Å; V668-I670 HydrophobicContact CB-CD1 4.4Å; V668-I670 HydrophobicContact CG1-CD1 3.9Å; V668-I670 HydrophobicContact CG1-CG1 4.1Å; V668-V680 WeakPolarHBondContact O-CA 3.44Å; V668-F681 PolarHBondContact N-O 2.74Å; V668-F681 PolarHBondContact O-N 3.43Å; V668-I683 HydrophobicContact CG2-CD1 3.91Å; V668-I904 HydrophobicContact CG1-CD1 4.35Å; V668-I904 HydrophobicContact CG1-CG2 4.39Å; V668-I904 HydrophobicContact CG2-CD1 3.62Å
669	V	97.6	Very high	94.6	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126	178.2	-169.1	0	0	0	0	108.5	L659 A660 T662 I678 V680 I707 V709 M715	L659-V669 CarbonylContact C-O 3.51Å; L659-V669 WeakPolarHBondContact CA-O 3.28Å; A660-V669 HydrophobicContact CB-CB 4.49Å; A660-V669 PolarHBondContact N-O 2.8Å; A660-V669 PolarHBondContact O-N 2.84Å; T662-V669 HydrophobicContact CG2-CG2 4.25Å; V669-I678 HydrophobicContact CG1-CG2 3.29Å; V669-V680 HydrophobicContact CG1-CG2 4.23Å; V669-V680 HydrophobicContact CG2-CG1 4.38Å; V669-V680 HydrophobicContact CG2-CG2 4.32Å; V669-I707 HydrophobicContact CB-CD1 4.3Å; V669-I707 HydrophobicContact CG1-CD1 3.45Å; V669-I707 VanDerWaalsContact CG1-CD1 3.45Å; V669-V709 HydrophobicContact CG2-CG2 4.12Å; V669-M715 HydrophobicContact CG1-SD 3.67Å; V669-M715 HydrophobicContact CG2-SD 4.27Å
670	I	97.9	Very high	94.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.5	-174.2	-63.4	121.5	0	0	0	110.2	F643 F653 P656 L659 V668 I678 Q679 F681 I913	F643-I670 HydrophobicContact CE2-CD1 4.08Å; F643-I670 HydrophobicContact CZ-CD1 4.31Å; F653-I670 HydrophobicContact CD1-CG2 4.17Å; F653-I670 HydrophobicContact CE1-CB 4.07Å; F653-I670 HydrophobicContact CE1-CG2 3.59Å; F653-I670 HydrophobicContact CZ-CD1 4.14Å; F653-I670 HydrophobicContact CZ-CG2 4.22Å; P656-I670 HydrophobicContact CB-CG2 3.97Å; L659-I670 HydrophobicContact CD2-CB 4.03Å; L659-I670 HydrophobicContact CD2-CD1 4.42Å; L659-I670 HydrophobicContact CD2-CG1 3.22Å; L659-I670 HydrophobicContact CD2-CG2 4.06Å; V668-I670 HydrophobicContact CB-CD1 4.4Å; V668-I670 HydrophobicContact CG1-CD1 3.9Å; V668-I670 HydrophobicContact CG1-CG1 4.1Å; I670-I678 CarbonylContact O-C 3.55Å; I670-I678 WeakPolarHBondContact O-CA 3.43Å; I670-Q679 PolarHBondContact N-O 2.94Å; I670-Q679 PolarHBondContact O-N 3.35Å; I670-F681 HydrophobicContact CD1-CD2 3.38Å; I670-F681 HydrophobicContact CD1-CE2 3.81Å; I670-F681 HydrophobicContact CD1-CG 4.21Å; I670-I913 HydrophobicContact CD1-CG1 4.11Å; I670-I913 HydrophobicContact CG1-CD1 4.21Å; I670-I913 HydrophobicContact CG1-CG1 4.14Å; I670-I913 HydrophobicContact CG2-CD1 4.11Å
671	C	97.4	Very high	94.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	114	166.8	-75.5	0	0	0	0	110.3	P656 R657 G658 S673 L704 I707	P656-C671 WeakPolarHBondContact CA-O 3.48Å; R657-C671 PolarHBondContact N-O 3.45Å; G658-C671 PolarHBondContact O-N 2.82Å; C671-S673 PolarHBondContact O-N 2.86Å; C671-L704 HydrophobicContact CB-CD1 3.8Å; C671-I707 VanDerWaalsContact SG-CB 3.57Å; C671-I707 VanDerWaalsContact SG-CG2 3.57Å
672	D	96.5	Very high	94.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	82.5	176.4	-173	7.7	0	0	0	108.9	F653 N654 S674 N675 H676 R677 Q679	F653-D672 HydrophobicContact CD1-CB 4.06Å; N654-D672 PolarHBondContact N-OD1 2.97Å; D672-S674 PolarHBondContact O-N 3.35Å; D672-N675 HydrophobicContact CB-CB 4.44Å; D672-N675 VanDerWaalsContact CG-ND2 3.33Å; D672-N675 CarbonylContact O-C 3.23Å; D672-N675 PolarHBondContact O-N 2.76Å; D672-N675 PolarHBondContact OD1-ND2 3.22Å; D672-N675 WeakPolarHBondContact OD2-CB 3.33Å; D672-N675 PolarHBondContact OD2-ND2 2.85Å; D672-H676 PolarHBondContact O-N 3.34Å; D672-R677 WeakPolarHBondContact CA-O 3.44Å; D672-R677 HydrophobicContact CB-CG 3.83Å; D672-R677 WeakPolarHBondContact CB-O 3.35Å; D672-R677 PolarHBondContact N-O 2.89Å; D672-R677 PolarHBondContact O-N 2.97Å; D672-R677 IonicContact OD2-CZ 3.61Å; D672-R677 IonicContact OD2-NE 3.2Å; D672-R677 PolarHBondContact OD2-NE 2.81Å; D672-R677 IonicContact OD2-NH2 3.84Å; D672-R677 PolarHBondContact OD2-NH2 2.76Å; D672-Q679 PolarHBondContact OD2-NE2 2.79Å
673	S	94.8	Very high	94.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-62.8	-43	-159.2	-57.7	0	0	0	0	114.5	W655 R657 C671 N675 H676 S703 L704	W655-S673 VanDerWaalsContact O-CB 3.32Å; W655-S673 WeakPolarHBondContact O-CB 3.44Å; W655-S673 PolarHBondContact O-N 3.21Å; W655-S673 PolarHBondContact O-OG 3.22Å; R657-S673 WeakPolarHBondContact CB-OG 3.23Å; R657-S673 WeakPolarHBondContact CD-OG 3.47Å; R657-S673 WeakPolarHBondContact CG-OG 3.34Å; C671-S673 PolarHBondContact O-N 2.86Å; S673-N675 VanDerWaalsContact C-N 3.32Å; S673-H676 PolarHBondContact O-N 2.69Å; S673-S703 WeakPolarHBondContact O-CA 3.17Å; S673-S703 WeakPolarHBondContact O-CB 3.4Å; S673-S703 PolarHBondContact O-OG 2.58Å; S673-L704 VanDerWaalsContact CB-O 3.27Å; S673-L704 WeakPolarHBondContact CB-O 3.39Å; S673-L704 PolarHBondContact OG-O 3.12Å
674	S	93.8	Very high	94.6	Very high	25 Å²	25	34.5 Å²	34.5	18%	0.175	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-84.9	-9	-179.1	-61.6	0	0	0	0	113.3	N654 D672 H676	N654-S674 VanDerWaalsContact CG-CB 3.49Å; N654-S674 WeakPolarHBondContact ND2-CB 3.29Å; N654-S674 VanDerWaalsContact O-CB 3.32Å; N654-S674 WeakPolarHBondContact O-CB 3.39Å; N654-S674 PolarHBondContact O-N 3.36Å; D672-S674 PolarHBondContact O-N 3.35Å; S674-H676 PolarHBondContact O-CD2 3.39Å; S674-H676 PolarHBondContact O-NE2 2.85Å
675	N	95.7	Very high	94.8	Very high	29 Å²	29	30.5 Å²	30.5	16%	0.155	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-96.6	4	168	-67	-30.4	0	0	0	112.1	G647 N654 D672 S673 R677	G647-N675 PolarHBondContact O-ND2 3.27Å; N654-N675 WeakPolarHBondContact CB-ND2 3.37Å; N654-N675 WeakPolarHBondContact CB-OD1 3.3Å; N654-N675 PolarHBondContact N-ND2 3.06Å; D672-N675 HydrophobicContact CB-CB 4.44Å; D672-N675 VanDerWaalsContact CG-ND2 3.33Å; D672-N675 CarbonylContact O-C 3.23Å; D672-N675 PolarHBondContact O-N 2.76Å; D672-N675 PolarHBondContact OD1-ND2 3.22Å; D672-N675 WeakPolarHBondContact OD2-CB 3.33Å; D672-N675 PolarHBondContact OD2-ND2 2.85Å; S673-N675 VanDerWaalsContact C-N 3.32Å; N675-R677 HydrophobicContact CB-CG 3.91Å; N675-R677 PolarHBondContact O-N 3.1Å
676	H	96.7	Very high	95.3	Very high	40 Å²	40	35.9 Å²	35.9	19%	0.185	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	39.3	175.4	-44.7	-87.2	0	0	0	113.6	D672 S673 S674 K693 Y694 D702 S703	D672-H676 PolarHBondContact O-N 3.34Å; S673-H676 PolarHBondContact O-N 2.69Å; S674-H676 PolarHBondContact O-CD2 3.39Å; S674-H676 PolarHBondContact O-NE2 2.85Å; H676-K693 CarbonylContact O-C 3.47Å; H676-K693 WeakPolarHBondContact O-CA 3.5Å; H676-K693 PolarHBondContact O-N 3Å; H676-Y694 AromaticContact CD2-CD2 3.81Å; H676-Y694 AromaticContact CE1-CD2 3.53Å; H676-Y694 AromaticContact CE1-CE2 3.99Å; H676-Y694 AromaticContact CG-CD2 3.74Å; H676-Y694 AromaticContact ND1-CD2 3.57Å; H676-Y694 AromaticContact NE2-CD2 3.68Å; H676-D702 IonicContact CE1-OD1 3.86Å; H676-D702 IonicContact ND1-OD1 2.66Å; H676-S703 PolarHBondContact ND1-N 2.82Å
677	R	96.7	Very high	95.6	Very high	26 Å²	26	32.1 Å²	32.1	10%	0.098	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	164.8	-173.3	69.8	-174.1	-175.7	176.9	-0.8	112.3	D648 S649 Q652 D672 N675 Q679 F691 L704	D648-R677 PolarHBondContact O-NH1 3.19Å; D648-R677 PolarHBondContact O-NH2 3.01Å; D648-R677 VanDerWaalsContact O-NH2 3.1Å; S649-R677 PolarHBondContact O-NH2 3Å; Q652-R677 PolarHBondContact O-NH2 3.21Å; D672-R677 WeakPolarHBondContact CA-O 3.44Å; D672-R677 HydrophobicContact CB-CG 3.83Å; D672-R677 WeakPolarHBondContact CB-O 3.35Å; D672-R677 PolarHBondContact N-O 2.89Å; D672-R677 PolarHBondContact O-N 2.97Å; D672-R677 IonicContact OD2-CZ 3.61Å; D672-R677 IonicContact OD2-NE 3.2Å; D672-R677 PolarHBondContact OD2-NE 2.81Å; D672-R677 IonicContact OD2-NH2 3.84Å; D672-R677 PolarHBondContact OD2-NH2 2.76Å; N675-R677 HydrophobicContact CB-CG 3.91Å; N675-R677 PolarHBondContact O-N 3.1Å; R677-Q679 HydrophobicContact CG-CG 4.45Å; R677-Q679 VanDerWaalsContact NH2-NE2 3.12Å; R677-F691 CarbonylContact C-O 3.59Å; R677-F691 VanDerWaalsContact CA-O 3.28Å; R677-F691 WeakPolarHBondContact CA-O 3.38Å; R677-F691 WeakPolarHBondContact CB-O 3.41Å; R677-L704 VanDerWaalsContact O-CD1 3.26Å; R677-L704 WeakPolarHBondContact O-CD1 3.22Å
678	I	97.9	Very high	95.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.2	173.5	-56.8	166.1	0	0	0	107.3	V669 I670 T690 F691 F701 L704 I707 V717 L728	V669-I678 HydrophobicContact CG1-CG2 3.29Å; I670-I678 CarbonylContact O-C 3.55Å; I670-I678 WeakPolarHBondContact O-CA 3.43Å; I678-T690 CarbonylContact O-C 3.48Å; I678-T690 VanDerWaalsContact O-CA 3.22Å; I678-T690 WeakPolarHBondContact O-CA 3.46Å; I678-T690 PolarHBondContact O-OG1 3.35Å; I678-F691 HydrophobicContact CB-CB 4.38Å; I678-F691 HydrophobicContact CB-CD2 4.41Å; I678-F691 HydrophobicContact CG2-CD2 4.41Å; I678-F691 PolarHBondContact N-O 3.32Å; I678-F691 PolarHBondContact O-N 2.85Å; I678-F701 HydrophobicContact CD1-CE2 4.18Å; I678-F701 HydrophobicContact CD1-CZ 4.02Å; I678-L704 HydrophobicContact CD1-CD2 4.13Å; I678-L704 HydrophobicContact CG1-CD2 3.49Å; I678-L704 VanDerWaalsContact CG1-CD2 3.49Å; I678-I707 HydrophobicContact CD1-CD1 4.29Å; I678-I707 HydrophobicContact CG2-CD1 4.03Å; I678-V717 HydrophobicContact CD1-CB 4.5Å; I678-V717 HydrophobicContact CD1-CG1 4.19Å; I678-V717 HydrophobicContact CD1-CG2 3.63Å; I678-L728 HydrophobicContact CD1-CD1 3.53Å
679	Q	97.4	Very high	95.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139.2	173.7	-66.4	-168.9	75.3	0	0	110.6	Q652 F653 I670 D672 R677 F681 F687	Q652-Q679 PolarHBondContact O-NE2 3.18Å; F653-Q679 HydrophobicContact CE1-CB 4.31Å; I670-Q679 PolarHBondContact N-O 2.94Å; I670-Q679 PolarHBondContact O-N 3.35Å; D672-Q679 PolarHBondContact OD2-NE2 2.79Å; R677-Q679 HydrophobicContact CG-CG 4.45Å; R677-Q679 VanDerWaalsContact NH2-NE2 3.12Å; Q679-F681 HydrophobicContact CB-CD2 4.27Å; Q679-F681 HydrophobicContact CB-CE2 3.49Å; Q679-F681 VanDerWaalsContact CB-CE2 3.49Å; Q679-F681 HydrophobicContact CB-CZ 4.27Å; Q679-F687 HydrophobicContact CB-CE2 4.39Å; Q679-F687 HydrophobicContact CG-CE2 4.28Å; Q679-F687 VanDerWaalsContact OE1-CE2 3.27Å
680	V	97	Very high	95.5	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.2	178.7	-171.4	0	0	0	0	109.1	E667 V668 V669 L688 R689 F691	E667-V680 HydrophobicContact CB-CG1 3.99Å; V668-V680 WeakPolarHBondContact O-CA 3.44Å; V669-V680 HydrophobicContact CG1-CG2 4.23Å; V669-V680 HydrophobicContact CG2-CG1 4.38Å; V669-V680 HydrophobicContact CG2-CG2 4.32Å; V680-L688 HydrophobicContact CG1-CD1 4.28Å; V680-L688 WeakPolarHBondContact O-CB 3.42Å; V680-L688 PolarHBondContact O-N 2.88Å; V680-R689 HydrophobicContact CB-CG 3.88Å; V680-R689 HydrophobicContact CG2-CG 4.02Å; V680-R689 PolarHBondContact N-O 3.43Å; V680-R689 PolarHBondContact O-N 3.35Å; V680-F691 HydrophobicContact CG2-CD2 4.24Å; V680-F691 HydrophobicContact CG2-CE2 3.59Å; V680-F691 HydrophobicContact CG2-CZ 4.45Å
681	F	97.2	Very high	95.4	Very high	3 Å²	3	40.6 Å²	40.6	1%	0.013	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	155.9	178.6	-65.6	-105.1	0	0	0	109.5	F643 F653 E667 V668 I670 Q679 G685 K686 F687	F643-F681 AromaticContact CD2-CD1 3.75Å; F643-F681 HydrophobicContact CD2-CD1 3.75Å; F643-F681 AromaticContact CD2-CE1 3.79Å; F643-F681 HydrophobicContact CD2-CE1 3.79Å; F643-F681 HydrophobicContact CD2-CG 4.3Å; F643-F681 HydrophobicContact CD2-CZ 4.37Å; F643-F681 HydrophobicContact CE2-CB 4.16Å; F643-F681 AromaticContact CE2-CD1 3.6Å; F643-F681 HydrophobicContact CE2-CD1 3.6Å; F643-F681 HydrophobicContact CE2-CD2 4.06Å; F643-F681 AromaticContact CE2-CE1 3.93Å; F643-F681 HydrophobicContact CE2-CE1 3.93Å; F643-F681 HydrophobicContact CE2-CE2 4.34Å; F643-F681 AromaticContact CE2-CG 3.67Å; F643-F681 HydrophobicContact CE2-CG 3.67Å; F643-F681 HydrophobicContact CE2-CZ 4.29Å; F643-F681 HydrophobicContact CZ-CB 4.4Å; F643-F681 HydrophobicContact CZ-CG 4.39Å; F653-F681 AromaticContact CE1-CE2 3.83Å; F653-F681 HydrophobicContact CE1-CE2 3.83Å; F653-F681 HydrophobicContact CE1-CZ 4.09Å; F653-F681 HydrophobicContact CE2-CE2 4.36Å; F653-F681 AromaticContact CE2-CZ 4Å; F653-F681 HydrophobicContact CE2-CZ 4Å; F653-F681 HydrophobicContact CZ-CD2 4.32Å; F653-F681 HydrophobicContact CZ-CE1 4.37Å; F653-F681 AromaticContact CZ-CE2 3.33Å; F653-F681 HydrophobicContact CZ-CE2 3.33Å; F653-F681 AromaticContact CZ-CZ 3.36Å; F653-F681 HydrophobicContact CZ-CZ 3.36Å; E667-F681 CarbonylContact C-O 3.52Å; E667-F681 WeakPolarHBondContact CA-O 3.31Å; V668-F681 PolarHBondContact N-O 2.74Å; V668-F681 PolarHBondContact O-N 3.43Å; I670-F681 HydrophobicContact CD1-CD2 3.38Å; I670-F681 HydrophobicContact CD1-CE2 3.81Å; I670-F681 HydrophobicContact CD1-CG 4.21Å; Q679-F681 HydrophobicContact CB-CD2 4.27Å; Q679-F681 HydrophobicContact CB-CE2 3.49Å; Q679-F681 VanDerWaalsContact CB-CE2 3.49Å; Q679-F681 HydrophobicContact CB-CZ 4.27Å; F681-G685 WeakPolarHBondContact CD1-O 3.16Å; F681-K686 CarbonylContact C-O 3.34Å; F681-K686 WeakPolarHBondContact CA-O 3.27Å; F681-F687 HydrophobicContact CD1-CB 4.09Å; F681-F687 HydrophobicContact CE1-CB 3.78Å; F681-F687 HydrophobicContact CE1-CD2 4.13Å; F681-F687 HydrophobicContact CE1-CG 4.48Å; F681-F687 HydrophobicContact CE2-CD2 4.37Å; F681-F687 HydrophobicContact CZ-CB 4.44Å; F681-F687 AromaticContact CZ-CD2 3.95Å; F681-F687 HydrophobicContact CZ-CD2 3.95Å
682	D	94.9	Very high	95.2	Very high	34 Å²	34	42.3 Å²	42.3	18%	0.182	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	165.7	162.7	74.9	9.7	0	0	0	110.5	K666 R684 G685 K686 L688	K666-D682 CarbonylContact O-C 3.54Å; K666-D682 WeakPolarHBondContact O-CA 3.5Å; D682-R684 PolarHBondContact O-N 2.74Å; D682-R684 VanDerWaalsContact OD1-CA 3.23Å; D682-R684 WeakPolarHBondContact OD1-CA 3.34Å; D682-R684 WeakPolarHBondContact OD1-CB 3.34Å; D682-R684 PolarHBondContact OD1-N 3.23Å; D682-G685 PolarHBondContact O-N 3.02Å; D682-G685 PolarHBondContact OD1-N 3.33Å; D682-K686 VanDerWaalsContact CG-CB 3.47Å; D682-K686 PolarHBondContact N-O 2.9Å; D682-K686 WeakPolarHBondContact OD1-CB 3.39Å; D682-K686 PolarHBondContact OD1-N 3.37Å; D682-K686 VanDerWaalsContact OD2-CB 3.29Å; D682-K686 WeakPolarHBondContact OD2-CB 3.16Å; D682-L688 HydrophobicContact CB-CD1 4.24Å; D682-L688 HydrophobicContact CB-CD2 4.46Å
683	I	90.4	Very high	95	Very high	47 Å²	47	48.6 Å²	48.6	24%	0.241	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-12.6	177.6	-164.3	57.7	0	0	0	113.5	K666 V668 T898 L902 I904	K666-I683 PolarHBondContact O-N 3.43Å; V668-I683 HydrophobicContact CG2-CD1 3.91Å; I683-T898 HydrophobicContact CD1-CG2 3.89Å; I683-L902 HydrophobicContact CD1-CD1 4.47Å; I683-L902 HydrophobicContact CG1-CD1 4.21Å; I683-I904 HydrophobicContact CD1-CD1 3.61Å
684	R	91.7	Very high	95.1	Very high	199 Å²	199	55.5 Å²	55.5	75%	0.751	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	5	176.9	-57.6	177.8	63.7	-162.4	-1.5	112.6	L641 D682	L641-R684 VanDerWaalsContact CD2-O 3.28Å; L641-R684 WeakPolarHBondContact CD2-O 3.49Å; D682-R684 PolarHBondContact O-N 2.74Å; D682-R684 VanDerWaalsContact OD1-CA 3.23Å; D682-R684 WeakPolarHBondContact OD1-CA 3.34Å; D682-R684 WeakPolarHBondContact OD1-CB 3.34Å; D682-R684 PolarHBondContact OD1-N 3.23Å
685	G	91.3	Very high	95	Very high	15 Å²	15	54.7 Å²	54.7	16%	0.155	26%	0.256	C	S	.	.	S	Bend	trans	81.4	12.3	177.7	0	0	0	0	0	115.1	F681 D682	F681-G685 WeakPolarHBondContact CD1-O 3.16Å; D682-G685 PolarHBondContact O-N 3.02Å; D682-G685 PolarHBondContact OD1-N 3.33Å
686	K	94.9	Very high	94.8	Very high	140 Å²	140	57.9 Å²	57.9	61%	0.609	28%	0.277	S	S	*	.			trans	-77.3	125.6	173	-173	-174.8	174.1	-177.6	0	109.5	F681 D682 L688	F681-K686 CarbonylContact C-O 3.34Å; F681-K686 WeakPolarHBondContact CA-O 3.27Å; D682-K686 VanDerWaalsContact CG-CB 3.47Å; D682-K686 PolarHBondContact N-O 2.9Å; D682-K686 WeakPolarHBondContact OD1-CB 3.39Å; D682-K686 PolarHBondContact OD1-N 3.37Å; D682-K686 VanDerWaalsContact OD2-CB 3.29Å; D682-K686 WeakPolarHBondContact OD2-CB 3.16Å; K686-L688 PolarHBondContact O-N 3.46Å
687	F	96.3	Very high	94.4	Very high	64 Å²	64	57.2 Å²	57.2	28%	0.281	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	132.8	172.7	174.4	-95.9	0	0	0	111	P650 Q679 F681 R689 T690	P650-F687 HydrophobicContact CB-CD1 4.04Å; P650-F687 HydrophobicContact CB-CD2 4.37Å; P650-F687 HydrophobicContact CB-CE1 3.7Å; P650-F687 HydrophobicContact CB-CE2 4.04Å; P650-F687 HydrophobicContact CB-CG 4.37Å; P650-F687 HydrophobicContact CB-CZ 3.69Å; Q679-F687 HydrophobicContact CB-CE2 4.39Å; Q679-F687 HydrophobicContact CG-CE2 4.28Å; Q679-F687 VanDerWaalsContact OE1-CE2 3.27Å; F681-F687 HydrophobicContact CD1-CB 4.09Å; F681-F687 HydrophobicContact CE1-CB 3.78Å; F681-F687 HydrophobicContact CE1-CD2 4.13Å; F681-F687 HydrophobicContact CE1-CG 4.48Å; F681-F687 HydrophobicContact CE2-CD2 4.37Å; F681-F687 HydrophobicContact CZ-CB 4.44Å; F681-F687 AromaticContact CZ-CD2 3.95Å; F681-F687 HydrophobicContact CZ-CD2 3.95Å; F687-R689 WeakPolarHBondContact CE2-O 3.25Å; F687-R689 VanDerWaalsContact CZ-C 3.45Å; F687-T690 HydrophobicContact CZ-CG2 4.33Å
688	L	95.3	Very high	94.2	Very high	59 Å²	59	61.3 Å²	61.3	31%	0.309	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-54.9	178.5	-58.2	179.7	0	0	0	111.9	E667 V680 D682 K686	E667-L688 HydrophobicContact CG-CD1 3.94Å; E667-L688 WeakPolarHBondContact OE1-CD1 3.37Å; V680-L688 HydrophobicContact CG1-CD1 4.28Å; V680-L688 WeakPolarHBondContact O-CB 3.42Å; V680-L688 PolarHBondContact O-N 2.88Å; D682-L688 HydrophobicContact CB-CD1 4.24Å; D682-L688 HydrophobicContact CB-CD2 4.46Å; K686-L688 PolarHBondContact O-N 3.46Å
689	R	95.5	Very high	93.8	Very high	86 Å²	86	62.3 Å²	62.3	33%	0.325	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	165.5	-173.5	53.9	-167.4	164.3	-84.5	-3.5	112.2	E667 V680 F687 F691	E667-R689 IonicContact OE1-CZ 3.63Å; E667-R689 IonicContact OE1-NH1 3.86Å; E667-R689 IonicContact OE1-NH2 3.33Å; E667-R689 PolarHBondContact OE1-NH2 2.8Å; E667-R689 IonicContact OE2-NH2 2.85Å; E667-R689 PolarHBondContact OE2-NH2 2.95Å; V680-R689 HydrophobicContact CB-CG 3.88Å; V680-R689 HydrophobicContact CG2-CG 4.02Å; V680-R689 PolarHBondContact N-O 3.43Å; V680-R689 PolarHBondContact O-N 3.35Å; F687-R689 WeakPolarHBondContact CE2-O 3.25Å; F687-R689 VanDerWaalsContact CZ-C 3.45Å; R689-F691 HydrophobicContact CG-CE1 4.37Å; R689-F691 HydrophobicContact CG-CE2 4.23Å; R689-F691 HydrophobicContact CG-CZ 3.78Å
690	T	96.3	Very high	93.7	Very high	58 Å²	58	64.9 Å²	64.9	36%	0.356	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	150.2	-179.9	-172.7	0	0	0	0	110.9	I678 F687	I678-T690 CarbonylContact O-C 3.48Å; I678-T690 VanDerWaalsContact O-CA 3.22Å; I678-T690 WeakPolarHBondContact O-CA 3.46Å; I678-T690 PolarHBondContact O-OG1 3.35Å; F687-T690 HydrophobicContact CZ-CG2 4.33Å
691	F	95	Very high	93.7	Very high	25 Å²	25	64.9 Å²	64.9	11%	0.11	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	145.9	-179.2	-49	-62.7	0	0	0	111.6	R677 I678 V680 R689 M715 S731	R677-F691 CarbonylContact C-O 3.59Å; R677-F691 VanDerWaalsContact CA-O 3.28Å; R677-F691 WeakPolarHBondContact CA-O 3.38Å; R677-F691 WeakPolarHBondContact CB-O 3.41Å; I678-F691 HydrophobicContact CB-CB 4.38Å; I678-F691 HydrophobicContact CB-CD2 4.41Å; I678-F691 HydrophobicContact CG2-CD2 4.41Å; I678-F691 PolarHBondContact N-O 3.32Å; I678-F691 PolarHBondContact O-N 2.85Å; V680-F691 HydrophobicContact CG2-CD2 4.24Å; V680-F691 HydrophobicContact CG2-CE2 3.59Å; V680-F691 HydrophobicContact CG2-CZ 4.45Å; R689-F691 HydrophobicContact CG-CE1 4.37Å; R689-F691 HydrophobicContact CG-CE2 4.23Å; R689-F691 HydrophobicContact CG-CZ 3.78Å; F691-M715 HydrophobicContact CD2-CE 3.93Å; F691-M715 HydrophobicContact CE2-CE 3.71Å; F691-M715 HydrophobicContact CE2-SD 4.36Å; F691-M715 HydrophobicContact CZ-CE 4.5Å; F691-S731 WeakPolarHBondContact CE1-O 3.21Å
692	G	93.2	Very high	93.6	Very high	36 Å²	36	66.1 Å²	66.1	37%	0.371	34%	0.338	S	S	.	.			trans	83.3	171.9	175.1	0	0	0	0	0	114.6	G699	G692-G699 WeakPolarHBondContact CA-O 3.36Å
693	K	93.2	Very high	93.6	Very high	133 Å²	133	64.7 Å²	64.7	58%	0.578	33%	0.33	S	S	*	.			trans	-161	169	178.5	60.4	-179.5	179.9	179.7	0	108.5	H676 G695 Q700 F701	H676-K693 CarbonylContact O-C 3.47Å; H676-K693 WeakPolarHBondContact O-CA 3.5Å; H676-K693 PolarHBondContact O-N 3Å; K693-G695 PolarHBondContact O-N 2.84Å; K693-Q700 HydrophobicContact CG-CG 4.13Å; K693-Q700 CarbonylContact O-C 3.56Å; K693-Q700 VanDerWaalsContact O-CA 3.3Å; K693-Q700 WeakPolarHBondContact O-CA 3.26Å; K693-F701 PolarHBondContact O-N 2.87Å
694	Y	96	Very high	93.8	Very high	144 Å²	144	62.4 Å²	62.4	57%	0.565	32%	0.319	S	S	*	.	B	Isolated β-bridge	trans	-55.4	137.2	173.7	-179	-105.1	0	0	0	112.3	H676 F701 D702	H676-Y694 AromaticContact CD2-CD2 3.81Å; H676-Y694 AromaticContact CE1-CD2 3.53Å; H676-Y694 AromaticContact CE1-CE2 3.99Å; H676-Y694 AromaticContact CG-CD2 3.74Å; H676-Y694 AromaticContact ND1-CD2 3.57Å; H676-Y694 AromaticContact NE2-CD2 3.68Å; Y694-F701 CarbonylContact C-O 3.54Å; Y694-F701 VanDerWaalsContact CA-O 3.31Å; Y694-F701 WeakPolarHBondContact CA-O 3.27Å; Y694-D702 HydrophobicContact CE2-CB 4.36Å
695	G	92.9	Very high	94	Very high	8 Å²	8	53 Å²	53	8%	0.082	28%	0.283	C	S	.	.	S	Bend	trans	146.2	-178.9	166.8	0	0	0	0	0	113.7	K693 Q700 F701 N722	K693-G695 PolarHBondContact O-N 2.84Å; G695-Q700 CarbonylContact O-C 3.49Å; G695-F701 PolarHBondContact N-O 2.92Å; G695-F701 CarbonylContact O-C 3.29Å; G695-F701 VanDerWaalsContact O-C 3.23Å; G695-F701 PolarHBondContact O-N 2.91Å; G695-N722 PolarHBondContact O-ND2 3.24Å
696	T	90	Very high	94.2	Very high	96 Å²	96	52.3 Å²	52.3	59%	0.589	28%	0.276	S	S	*	.	S	Bend	trans	-106.7	-5.7	-174.5	65	0	0	0	0	112.8	N722 R724	T696-N722 WeakPolarHBondContact CG2-OD1 3.23Å; T696-R724 VanDerWaalsContact O-CZ 3.28Å; T696-R724 PolarHBondContact O-NH1 2.87Å; T696-R724 PolarHBondContact O-NH2 3.25Å; T696-R724 VanDerWaalsContact O-NH2 3.12Å
697	G	89.8	Confident	94.3	Very high	27 Å²	27	45.7 Å²	45.7	28%	0.278	25%	0.248	S	C	.	.	S	Bend	trans	-76.9	-178.2	-179.6	0	0	0	0	0	114.3	G699 Q700 R724	G697-G699 PolarHBondContact O-N 2.96Å; G697-Q700 PolarHBondContact O-N 3.12Å; G697-R724 PolarHBondContact O-NH2 3.49Å
698	T	92	Very high	94.3	Very high	112 Å²	112	43.2 Å²	43.2	69%	0.687	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	128.6	175.2	53.1	0	0	0	0	111	Q700 I737	T698-Q700 PolarHBondContact O-N 3.46Å; T698-I737 HydrophobicContact CG2-CD1 3.78Å
699	G	89.9	Confident	94.4	Very high	21 Å²	21	41.6 Å²	41.6	22%	0.216	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	5	-177.7	0	0	0	0	0	114.2	G692 G697 Q726 T734	G692-G699 WeakPolarHBondContact CA-O 3.36Å; G697-G699 PolarHBondContact O-N 2.96Å; G699-Q726 VanDerWaalsContact N-OE1 3.14Å; G699-T734 WeakPolarHBondContact CA-OG1 3.43Å; G699-T734 PolarHBondContact N-OG1 3.05Å; G699-T734 VanDerWaalsContact N-OG1 3.08Å
700	Q	94.9	Very high	94.3	Very high	54 Å²	54	38 Å²	38	25%	0.252	22%	0.218	S	C	.	.			trans	-101.3	152.8	168.9	-57.5	175.9	-6.1	0	0	108.9	K693 G695 G697 T698 R724 Q726	K693-Q700 HydrophobicContact CG-CG 4.13Å; K693-Q700 CarbonylContact O-C 3.56Å; K693-Q700 VanDerWaalsContact O-CA 3.3Å; K693-Q700 WeakPolarHBondContact O-CA 3.26Å; G695-Q700 CarbonylContact O-C 3.49Å; G697-Q700 PolarHBondContact O-N 3.12Å; T698-Q700 PolarHBondContact O-N 3.46Å; Q700-R724 PolarHBondContact O-NH2 3.01Å; Q700-Q726 PolarHBondContact O-NE2 2.95Å
701	F	97.1	Very high	94	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-131.1	152.6	-177.9	-61.1	-78.8	0	0	0	110.9	I678 K693 Y694 G695 L704 V717 D719 Q726 L728	I678-F701 HydrophobicContact CD1-CE2 4.18Å; I678-F701 HydrophobicContact CD1-CZ 4.02Å; K693-F701 PolarHBondContact O-N 2.87Å; Y694-F701 CarbonylContact C-O 3.54Å; Y694-F701 VanDerWaalsContact CA-O 3.31Å; Y694-F701 WeakPolarHBondContact CA-O 3.27Å; G695-F701 PolarHBondContact N-O 2.92Å; G695-F701 CarbonylContact O-C 3.29Å; G695-F701 VanDerWaalsContact O-C 3.23Å; G695-F701 PolarHBondContact O-N 2.91Å; F701-L704 HydrophobicContact CB-CD2 3.87Å; F701-L704 HydrophobicContact CB-CG 3.95Å; F701-L704 HydrophobicContact CD1-CB 4.36Å; F701-L704 HydrophobicContact CD1-CD2 3.7Å; F701-L704 HydrophobicContact CD1-CG 4.29Å; F701-L704 HydrophobicContact CD2-CD2 3.63Å; F701-L704 HydrophobicContact CE1-CD2 4.11Å; F701-L704 HydrophobicContact CE2-CD2 4.06Å; F701-L704 HydrophobicContact CG-CD2 3.44Å; F701-L704 VanDerWaalsContact CG-CD2 3.44Å; F701-L704 HydrophobicContact CG-CG 4.04Å; F701-L704 HydrophobicContact CZ-CD2 4.29Å; F701-V717 HydrophobicContact CE1-CB 4.29Å; F701-V717 HydrophobicContact CE1-CG1 4.01Å; F701-D719 HydrophobicContact CD1-CB 4.17Å; F701-Q726 HydrophobicContact CE1-CB 4.12Å; F701-Q726 HydrophobicContact CE1-CG 4.21Å; F701-Q726 VanDerWaalsContact CE1-NE2 3.35Å; F701-L728 HydrophobicContact CZ-CD1 4.08Å; F701-L728 HydrophobicContact CZ-CD2 4.38Å
702	D	96.1	Very high	93.7	Very high	29 Å²	29	47 Å²	47	16%	0.155	25%	0.251	C	S	.	.	S	Bend	trans	-121.4	84.9	165.1	-163.9	-7	0	0	0	109.3	H676 Y694 D719 Y721 N722	H676-D702 IonicContact CE1-OD1 3.86Å; H676-D702 IonicContact ND1-OD1 2.66Å; Y694-D702 HydrophobicContact CE2-CB 4.36Å; D702-D719 PolarHBondContact N-OD1 3.31Å; D702-Y721 WeakPolarHBondContact O-CB 3.15Å; D702-Y721 PolarHBondContact O-N 3.12Å; D702-N722 WeakPolarHBondContact CB-ND2 3.43Å; D702-N722 PolarHBondContact N-ND2 3.29Å; D702-N722 VanDerWaalsContact N-ND2 3.16Å
703	S	93.6	Very high	93.7	Very high	3 Å²	3	46 Å²	46	2%	0.021	24%	0.24	C	C	.	.	S	Bend	trans	63.6	62.1	172.2	-154.5	0	0	0	0	114.1	S673 H676 R720 Y721	S673-S703 WeakPolarHBondContact O-CA 3.17Å; S673-S703 WeakPolarHBondContact O-CB 3.4Å; S673-S703 PolarHBondContact O-OG 2.58Å; H676-S703 PolarHBondContact ND1-N 2.82Å; S703-R720 VanDerWaalsContact CB-NE 3.31Å; S703-R720 WeakPolarHBondContact O-CD 3.32Å; S703-R720 WeakPolarHBondContact O-CG 3.42Å; S703-R720 PolarHBondContact O-NE 2.96Å; S703-R720 VanDerWaalsContact OG-CZ 3.32Å; S703-R720 PolarHBondContact OG-NE 3.12Å; S703-R720 PolarHBondContact OG-NH2 3.25Å; S703-Y721 VanDerWaalsContact CB-CD2 3.49Å
704	L	95.8	Very high	93.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.6	138.5	175.9	26.1	69.9	0	0	0	113.3	C671 S673 R677 I678 F701 V717 T718	C671-L704 HydrophobicContact CB-CD1 3.8Å; S673-L704 VanDerWaalsContact CB-O 3.27Å; S673-L704 WeakPolarHBondContact CB-O 3.39Å; S673-L704 PolarHBondContact OG-O 3.12Å; R677-L704 VanDerWaalsContact O-CD1 3.26Å; R677-L704 WeakPolarHBondContact O-CD1 3.22Å; I678-L704 HydrophobicContact CD1-CD2 4.13Å; I678-L704 HydrophobicContact CG1-CD2 3.49Å; I678-L704 VanDerWaalsContact CG1-CD2 3.49Å; F701-L704 HydrophobicContact CB-CD2 3.87Å; F701-L704 HydrophobicContact CB-CG 3.95Å; F701-L704 HydrophobicContact CD1-CB 4.36Å; F701-L704 HydrophobicContact CD1-CD2 3.7Å; F701-L704 HydrophobicContact CD1-CG 4.29Å; F701-L704 HydrophobicContact CD2-CD2 3.63Å; F701-L704 HydrophobicContact CE1-CD2 4.11Å; F701-L704 HydrophobicContact CE2-CD2 4.06Å; F701-L704 HydrophobicContact CG-CD2 3.44Å; F701-L704 VanDerWaalsContact CG-CD2 3.44Å; F701-L704 HydrophobicContact CG-CG 4.04Å; F701-L704 HydrophobicContact CZ-CD2 4.29Å; L704-V717 HydrophobicContact CB-CG1 3.86Å; L704-V717 HydrophobicContact CD2-CG1 4.01Å; L704-T718 CarbonylContact C-O 3.59Å; L704-T718 VanDerWaalsContact CA-O 3.23Å; L704-T718 WeakPolarHBondContact CA-O 3.49Å; L704-T718 WeakPolarHBondContact CB-O 3.45Å
705	A	94.8	Very high	93.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-62.1	-172.2	0	0	0	0	0	112.3	R657 G658 T718 R720 W752	R657-A705 WeakPolarHBondContact CB-O 3.43Å; G658-A705 VanDerWaalsContact CA-O 3.25Å; G658-A705 WeakPolarHBondContact CA-O 3.5Å; G658-A705 PolarHBondContact N-O 2.94Å; A705-T718 PolarHBondContact N-O 2.81Å; A705-R720 HydrophobicContact CB-CB 4.13Å; A705-W752 HydrophobicContact CB-CD2 3.94Å; A705-W752 HydrophobicContact CB-CE3 4.3Å; A705-W752 HydrophobicContact CB-CG 4.05Å
706	G	95.3	Very high	94	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	156.8	-175.9	0	0	0	0	0	112.2	T718 W752	G706-T718 WeakPolarHBondContact CA-OG1 3.48Å; G706-T718 PolarHBondContact N-OG1 3.06Å; G706-T718 PolarHBondContact O-N 3.45Å; G706-T718 PolarHBondContact O-OG1 3.14Å; G706-T718 VanDerWaalsContact O-OG1 3.14Å; G706-W752 WeakPolarHBondContact CA-O 3.4Å; G706-W752 PolarHBondContact N-O 2.97Å
707	I	97.6	Very high	94.4	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	142.1	177.7	-174.8	164.7	0	0	0	110	A660 V669 C671 I678 M715 I716 V717 R896	A660-I707 HydrophobicContact CB-CG1 4.25Å; A660-I707 HydrophobicContact CB-CG2 3.98Å; V669-I707 HydrophobicContact CB-CD1 4.3Å; V669-I707 HydrophobicContact CG1-CD1 3.45Å; V669-I707 VanDerWaalsContact CG1-CD1 3.45Å; C671-I707 VanDerWaalsContact SG-CB 3.57Å; C671-I707 VanDerWaalsContact SG-CG2 3.57Å; I678-I707 HydrophobicContact CD1-CD1 4.29Å; I678-I707 HydrophobicContact CG2-CD1 4.03Å; I707-M715 HydrophobicContact CD1-CB 4.16Å; I707-M715 HydrophobicContact CD1-CG 4.47Å; I707-M715 HydrophobicContact CD1-SD 4.46Å; I707-M715 HydrophobicContact CG1-CB 4.49Å; I707-I716 VanDerWaalsContact CA-O 3.31Å; I707-I716 WeakPolarHBondContact CA-O 3.03Å; I707-V717 HydrophobicContact CD1-CG2 3.82Å; I707-V717 HydrophobicContact CG1-CG2 3.98Å; I707-R896 PolarHBondContact O-NH2 3.2Å
708	C	97	Very high	94.8	Very high	12 Å²	12	29.8 Å²	29.8	8%	0.081	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	155.3	164.8	69.8	0	0	0	0	110	M715 I716 V754	C708-M715 CarbonylContact O-C 3.53Å; C708-M715 WeakPolarHBondContact O-CA 3.32Å; C708-I716 PolarHBondContact N-O 2.91Å; C708-I716 PolarHBondContact O-N 2.8Å; C708-V754 WeakPolarHBondContact CB-O 3.49Å
709	V	96.4	Very high	95	Very high	26 Å²	26	24.4 Å²	24.4	16%	0.158	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.1	175.9	-173.4	0	0	0	0	108.4	A660 V669 Q714 M715	A660-V709 HydrophobicContact CB-CG2 3.65Å; V669-V709 HydrophobicContact CG2-CG2 4.12Å; V709-Q714 WeakPolarHBondContact CA-O 3.46Å; V709-M715 HydrophobicContact CG2-CG 3.96Å
710	N	93	Very high	95.2	Very high	11 Å²	11	24.5 Å²	24.5	6%	0.059	12%	0.117	C	C	.	.			trans	-83.5	172.8	175.9	70.8	15.5	0	0	0	112.6	P663 Y712 G713 Q714 M756	P663-N710 WeakPolarHBondContact CG-O 3.12Å; N710-Y712 PolarHBondContact O-N 2.86Å; N710-Y712 VanDerWaalsContact O-N 3.09Å; N710-Y712 WeakPolarHBondContact OD1-CA 3.36Å; N710-Y712 WeakPolarHBondContact OD1-CB 3.22Å; N710-Y712 PolarHBondContact OD1-N 3.36Å; N710-G713 PolarHBondContact O-N 3.4Å; N710-G713 PolarHBondContact OD1-N 2.8Å; N710-G713 VanDerWaalsContact OD1-N 3.16Å; N710-Q714 PolarHBondContact N-O 2.8Å; N710-Q714 PolarHBondContact ND2-OE1 3.33Å; N710-Q714 WeakPolarHBondContact OD1-CB 3.47Å; N710-Q714 PolarHBondContact OD1-N 2.83Å; N710-Q714 PolarHBondContact OD1-O 3.45Å; N710-M756 HydrophobicContact CB-CE 3.2Å; N710-M756 HydrophobicContact CB-SD 3.79Å
711	Q	90.2	Very high	95.2	Very high	110 Å²	110	27.1 Å²	27.1	51%	0.514	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-23	178.8	67.9	-173.2	-8.5	0	0	114.6	G713	Q711-G713 VanDerWaalsContact C-N 3.29Å
712	Y	89.7	Confident	95.1	Very high	162 Å²	162	28.3 Å²	28.3	64%	0.635	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	1.8	176.6	-51.2	-67.9	0	0	0	112.9	N710 Q714	N710-Y712 PolarHBondContact O-N 2.86Å; N710-Y712 VanDerWaalsContact O-N 3.09Å; N710-Y712 WeakPolarHBondContact OD1-CA 3.36Å; N710-Y712 WeakPolarHBondContact OD1-CB 3.22Å; N710-Y712 PolarHBondContact OD1-N 3.36Å; Y712-Q714 VanDerWaalsContact C-N 3.29Å; Y712-Q714 PolarHBondContact O-N 2.92Å
713	G	91.8	Very high	95.1	Very high	15 Å²	15	28.5 Å²	28.5	16%	0.155	13%	0.131	C	C	.	.			trans	78.1	7	-177.2	0	0	0	0	0	114.6	N710 Q711 P730	N710-G713 PolarHBondContact O-N 3.4Å; N710-G713 PolarHBondContact OD1-N 2.8Å; N710-G713 VanDerWaalsContact OD1-N 3.16Å; Q711-G713 VanDerWaalsContact C-N 3.29Å; G713-P730 WeakPolarHBondContact O-CG 3.36Å
714	Q	95.4	Very high	95.3	Very high	59 Å²	59	29.6 Å²	29.6	28%	0.276	14%	0.135	S	C	.	.	P	Polyproline II helix	trans	-73.6	135.9	174.2	-57	174.7	-41.9	0	0	109.8	V709 N710 Y712 V727 L728	V709-Q714 WeakPolarHBondContact CA-O 3.46Å; N710-Q714 PolarHBondContact N-O 2.8Å; N710-Q714 PolarHBondContact ND2-OE1 3.33Å; N710-Q714 WeakPolarHBondContact OD1-CB 3.47Å; N710-Q714 PolarHBondContact OD1-N 2.83Å; N710-Q714 PolarHBondContact OD1-O 3.45Å; Y712-Q714 VanDerWaalsContact C-N 3.29Å; Y712-Q714 PolarHBondContact O-N 2.92Å; Q714-V727 HydrophobicContact CB-CG1 4.04Å; Q714-L728 CarbonylContact C-O 3.51Å; Q714-L728 WeakPolarHBondContact CA-O 3.25Å; Q714-L728 WeakPolarHBondContact CB-O 3.22Å
715	M	96.2	Very high	95.4	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.025	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.4	-179.6	-61.3	174	-74.7	0	0	109.2	V669 F691 I707 C708 V709 V717 V727 L728 D729	V669-M715 HydrophobicContact CG1-SD 3.67Å; V669-M715 HydrophobicContact CG2-SD 4.27Å; F691-M715 HydrophobicContact CD2-CE 3.93Å; F691-M715 HydrophobicContact CE2-CE 3.71Å; F691-M715 HydrophobicContact CE2-SD 4.36Å; F691-M715 HydrophobicContact CZ-CE 4.5Å; I707-M715 HydrophobicContact CD1-CB 4.16Å; I707-M715 HydrophobicContact CD1-CG 4.47Å; I707-M715 HydrophobicContact CD1-SD 4.46Å; I707-M715 HydrophobicContact CG1-CB 4.49Å; C708-M715 CarbonylContact O-C 3.53Å; C708-M715 WeakPolarHBondContact O-CA 3.32Å; V709-M715 HydrophobicContact CG2-CG 3.96Å; M715-V717 HydrophobicContact CB-CG2 4.3Å; M715-V727 CarbonylContact O-C 3.52Å; M715-V727 WeakPolarHBondContact O-CA 3.42Å; M715-L728 HydrophobicContact CB-CB 4.31Å; M715-L728 HydrophobicContact CE-CB 3.99Å; M715-L728 HydrophobicContact CE-CD1 4.16Å; M715-L728 PolarHBondContact N-O 3.38Å; M715-L728 PolarHBondContact O-N 2.82Å; M715-D729 VanDerWaalsContact CE-O 3.31Å; M715-D729 WeakPolarHBondContact CE-O 3.32Å
716	I	97.7	Very high	95.5	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	117.9	176.8	-52.9	167.9	0	0	0	106.8	I707 C708 I725 V727 V754 M756 I762	I707-I716 VanDerWaalsContact CA-O 3.31Å; I707-I716 WeakPolarHBondContact CA-O 3.03Å; C708-I716 PolarHBondContact N-O 2.91Å; C708-I716 PolarHBondContact O-N 2.8Å; I716-I725 HydrophobicContact CG2-CG2 3.5Å; I716-V727 HydrophobicContact CG1-CG1 4.29Å; I716-V727 HydrophobicContact CG1-CG2 4.15Å; I716-V727 HydrophobicContact CG2-CG2 4.32Å; I716-V754 HydrophobicContact CG2-CG2 3.83Å; I716-V754 WeakPolarHBondContact O-CG1 3.32Å; I716-M756 HydrophobicContact CD1-CB 4.24Å; I716-M756 HydrophobicContact CD1-CG 4.31Å; I716-M756 HydrophobicContact CD1-SD 3.72Å; I716-I762 HydrophobicContact CD1-CD1 3.91Å; I716-I762 HydrophobicContact CD1-CG1 4.06Å; I716-I762 HydrophobicContact CG2-CD1 4.39Å; I716-I762 HydrophobicContact CG2-CG2 4.24Å
717	V	98.1	Very high	95.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.4	-166	-171.5	0	0	0	0	109.4	I678 F701 L704 I707 M715 I725 Q726 L728	I678-V717 HydrophobicContact CD1-CB 4.5Å; I678-V717 HydrophobicContact CD1-CG1 4.19Å; I678-V717 HydrophobicContact CD1-CG2 3.63Å; F701-V717 HydrophobicContact CE1-CB 4.29Å; F701-V717 HydrophobicContact CE1-CG1 4.01Å; L704-V717 HydrophobicContact CB-CG1 3.86Å; L704-V717 HydrophobicContact CD2-CG1 4.01Å; I707-V717 HydrophobicContact CD1-CG2 3.82Å; I707-V717 HydrophobicContact CG1-CG2 3.98Å; M715-V717 HydrophobicContact CB-CG2 4.3Å; V717-I725 CarbonylContact O-C 3.57Å; V717-I725 VanDerWaalsContact O-CA 3.25Å; V717-I725 WeakPolarHBondContact O-CA 3.34Å; V717-I725 WeakPolarHBondContact O-CG2 3.45Å; V717-Q726 PolarHBondContact N-O 3.07Å; V717-Q726 PolarHBondContact O-N 2.75Å; V717-L728 HydrophobicContact CG2-CD1 4.4Å
718	T	98.1	Very high	95.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	127	171.6	53.8	0	0	0	0	110.3	L704 A705 G706 I725 P751 W752 V754 V764	L704-T718 CarbonylContact C-O 3.59Å; L704-T718 VanDerWaalsContact CA-O 3.23Å; L704-T718 WeakPolarHBondContact CA-O 3.49Å; L704-T718 WeakPolarHBondContact CB-O 3.45Å; A705-T718 PolarHBondContact N-O 2.81Å; G706-T718 WeakPolarHBondContact CA-OG1 3.48Å; G706-T718 PolarHBondContact N-OG1 3.06Å; G706-T718 PolarHBondContact O-N 3.45Å; G706-T718 PolarHBondContact O-OG1 3.14Å; G706-T718 VanDerWaalsContact O-OG1 3.14Å; T718-I725 HydrophobicContact CG2-CG1 3.97Å; T718-P751 HydrophobicContact CG2-CB 4.25Å; T718-W752 WeakPolarHBondContact CB-O 3.48Å; T718-W752 VanDerWaalsContact CG2-O 3.29Å; T718-W752 WeakPolarHBondContact CG2-O 3.46Å; T718-W752 PolarHBondContact OG1-O 3.12Å; T718-V754 HydrophobicContact CG2-CB 3.74Å; T718-V754 HydrophobicContact CG2-CG1 3.86Å; T718-V764 HydrophobicContact CG2-CG1 4.06Å
719	D	96.5	Very high	95.4	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	92.5	-176.6	-171.3	1.4	0	0	0	107.6	F701 D702 Y721 N722 H723 R724 Q726	F701-D719 HydrophobicContact CD1-CB 4.17Å; D702-D719 PolarHBondContact N-OD1 3.31Å; D719-Y721 PolarHBondContact O-N 2.46Å; D719-N722 HydrophobicContact CB-CB 4.31Å; D719-N722 VanDerWaalsContact CG-ND2 3.33Å; D719-N722 CarbonylContact O-C 3.59Å; D719-N722 PolarHBondContact O-N 3.21Å; D719-N722 PolarHBondContact OD1-ND2 2.89Å; D719-N722 WeakPolarHBondContact OD2-CB 3.25Å; D719-N722 PolarHBondContact OD2-ND2 3.04Å; D719-H723 PolarHBondContact O-N 3.07Å; D719-R724 HydrophobicContact CB-CG 3.79Å; D719-R724 WeakPolarHBondContact CB-O 3.31Å; D719-R724 PolarHBondContact N-O 2.68Å; D719-R724 PolarHBondContact O-N 3.37Å; D719-R724 IonicContact OD2-CZ 3.64Å; D719-R724 IonicContact OD2-NE 3.79Å; D719-R724 PolarHBondContact OD2-NE 3.45Å; D719-R724 IonicContact OD2-NH2 2.75Å; D719-R724 PolarHBondContact OD2-NH2 2.81Å; D719-Q726 PolarHBondContact OD2-NE2 2.87Å
720	R	94.9	Very high	95.2	Very high	23 Å²	23	33.2 Å²	33.2	9%	0.087	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-49.8	-158.1	83.1	-165.1	163	125.2	2.7	112.6	S703 A705 H723 N750	S703-R720 VanDerWaalsContact CB-NE 3.31Å; S703-R720 WeakPolarHBondContact O-CD 3.32Å; S703-R720 WeakPolarHBondContact O-CG 3.42Å; S703-R720 PolarHBondContact O-NE 2.96Å; S703-R720 VanDerWaalsContact OG-CZ 3.32Å; S703-R720 PolarHBondContact OG-NE 3.12Å; S703-R720 PolarHBondContact OG-NH2 3.25Å; A705-R720 HydrophobicContact CB-CB 4.13Å; R720-H723 PolarHBondContact O-N 2.86Å; R720-H723 VanDerWaalsContact O-N 3.14Å; R720-H723 PolarHBondContact O-ND1 2.97Å; R720-N750 WeakPolarHBondContact O-CA 3.32Å; R720-N750 PolarHBondContact O-OD1 2.73Å; R720-N750 VanDerWaalsContact O-OD1 3.05Å
721	Y	94.3	Very high	95.1	Very high	108 Å²	108	35.4 Å²	35.4	42%	0.424	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-16.6	-176	-64.3	-46.6	0	0	0	113.3	D702 S703 D719 H723	D702-Y721 WeakPolarHBondContact O-CB 3.15Å; D702-Y721 PolarHBondContact O-N 3.12Å; S703-Y721 VanDerWaalsContact CB-CD2 3.49Å; D719-Y721 PolarHBondContact O-N 2.46Å; Y721-H723 VanDerWaalsContact C-N 3.28Å; Y721-H723 PolarHBondContact O-CD2 3.41Å
722	N	95.1	Very high	95.1	Very high	28 Å²	28	31 Å²	31	15%	0.15	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-2.9	164.7	-72	-42	0	0	0	112.9	G695 T696 D702 D719 R724	G695-N722 PolarHBondContact O-ND2 3.24Å; T696-N722 WeakPolarHBondContact CG2-OD1 3.23Å; D702-N722 WeakPolarHBondContact CB-ND2 3.43Å; D702-N722 PolarHBondContact N-ND2 3.29Å; D702-N722 VanDerWaalsContact N-ND2 3.16Å; D719-N722 HydrophobicContact CB-CB 4.31Å; D719-N722 VanDerWaalsContact CG-ND2 3.33Å; D719-N722 CarbonylContact O-C 3.59Å; D719-N722 PolarHBondContact O-N 3.21Å; D719-N722 PolarHBondContact OD1-ND2 2.89Å; D719-N722 WeakPolarHBondContact OD2-CB 3.25Å; D719-N722 PolarHBondContact OD2-ND2 3.04Å; N722-R724 VanDerWaalsContact C-N 3.28Å; N722-R724 HydrophobicContact CB-CG 3.81Å; N722-R724 PolarHBondContact ND2-NH2 2.96Å; N722-R724 PolarHBondContact O-N 3.49Å
723	H	96.5	Very high	95.3	Very high	32 Å²	32	31.7 Å²	31.7	15%	0.148	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	42.6	176.4	-50.7	-63	0	0	0	114.1	D719 R720 Y721 S740 H741 N750	D719-H723 PolarHBondContact O-N 3.07Å; R720-H723 PolarHBondContact O-N 2.86Å; R720-H723 VanDerWaalsContact O-N 3.14Å; R720-H723 PolarHBondContact O-ND1 2.97Å; Y721-H723 VanDerWaalsContact C-N 3.28Å; Y721-H723 PolarHBondContact O-CD2 3.41Å; H723-S740 CarbonylContact O-C 3.27Å; H723-S740 VanDerWaalsContact O-C 3.28Å; H723-S740 WeakPolarHBondContact O-CA 3.21Å; H723-S740 PolarHBondContact O-N 3.01Å; H723-H741 HydrophobicContact CB-CB 3.94Å; H723-H741 AromaticContact CD2-CG 3.59Å; H723-H741 AromaticContact CD2-ND1 3.06Å; H723-H741 PolarHBondContact CD2-ND1 2.83Å; H723-H741 AromaticContact CE1-CE1 3.97Å; H723-H741 AromaticContact CE1-ND1 3.35Å; H723-H741 PolarHBondContact CE1-ND1 2.84Å; H723-H741 AromaticContact CG-ND1 3.37Å; H723-H741 AromaticContact ND1-ND1 3.61Å; H723-H741 AromaticContact NE2-CE1 3.77Å; H723-H741 AromaticContact NE2-CG 3.88Å; H723-H741 AromaticContact NE2-ND1 2.99Å; H723-H741 PolarHBondContact NE2-ND1 2.93Å; H723-N750 PolarHBondContact CE1-OD1 3.46Å; H723-N750 PolarHBondContact ND1-N 2.78Å; H723-N750 PolarHBondContact ND1-OD1 2.95Å
724	R	96.5	Very high	95.4	Very high	27 Å²	27	33 Å²	33	10%	0.102	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	170.5	-173.2	68.3	-174.7	-177.4	176.9	-1.2	111.5	T696 G697 Q700 D719 N722 I737 F738	T696-R724 VanDerWaalsContact O-CZ 3.28Å; T696-R724 PolarHBondContact O-NH1 2.87Å; T696-R724 PolarHBondContact O-NH2 3.25Å; T696-R724 VanDerWaalsContact O-NH2 3.12Å; G697-R724 PolarHBondContact O-NH2 3.49Å; Q700-R724 PolarHBondContact O-NH2 3.01Å; D719-R724 HydrophobicContact CB-CG 3.79Å; D719-R724 WeakPolarHBondContact CB-O 3.31Å; D719-R724 PolarHBondContact N-O 2.68Å; D719-R724 PolarHBondContact O-N 3.37Å; D719-R724 IonicContact OD2-CZ 3.64Å; D719-R724 IonicContact OD2-NE 3.79Å; D719-R724 PolarHBondContact OD2-NE 3.45Å; D719-R724 IonicContact OD2-NH2 2.75Å; D719-R724 PolarHBondContact OD2-NH2 2.81Å; N722-R724 VanDerWaalsContact C-N 3.28Å; N722-R724 HydrophobicContact CB-CG 3.81Å; N722-R724 PolarHBondContact ND2-NH2 2.96Å; N722-R724 PolarHBondContact O-N 3.49Å; R724-I737 HydrophobicContact CG-CG2 4.46Å; R724-F738 WeakPolarHBondContact CA-O 3.34Å; R724-F738 WeakPolarHBondContact CB-O 3.4Å
725	I	97.8	Very high	95.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	140.7	169.3	-59.6	109.1	0	0	0	108.5	I716 V717 T718 I737 F738 F748 V764 L775	I716-I725 HydrophobicContact CG2-CG2 3.5Å; V717-I725 CarbonylContact O-C 3.57Å; V717-I725 VanDerWaalsContact O-CA 3.25Å; V717-I725 WeakPolarHBondContact O-CA 3.34Å; V717-I725 WeakPolarHBondContact O-CG2 3.45Å; T718-I725 HydrophobicContact CG2-CG1 3.97Å; I725-I737 WeakPolarHBondContact O-CA 3.42Å; I725-F738 HydrophobicContact CB-CD2 3.64Å; I725-F738 HydrophobicContact CB-CE2 3.27Å; I725-F738 HydrophobicContact CB-CG 4.48Å; I725-F738 HydrophobicContact CB-CZ 3.85Å; I725-F738 HydrophobicContact CD1-CD2 3.74Å; I725-F738 HydrophobicContact CD1-CE2 3.67Å; I725-F738 HydrophobicContact CG1-CD2 4.27Å; I725-F738 HydrophobicContact CG1-CE2 3.89Å; I725-F738 HydrophobicContact CG2-CD2 4.17Å; I725-F738 HydrophobicContact CG2-CE1 4.31Å; I725-F738 HydrophobicContact CG2-CE2 3.33Å; I725-F738 HydrophobicContact CG2-CZ 3.39Å; I725-F738 PolarHBondContact N-O 2.79Å; I725-F738 PolarHBondContact O-N 3.33Å; I725-F748 HydrophobicContact CD1-CD1 4.46Å; I725-F748 HydrophobicContact CD1-CD2 3.78Å; I725-F748 HydrophobicContact CD1-CE1 3.99Å; I725-F748 HydrophobicContact CD1-CE2 3.23Å; I725-F748 HydrophobicContact CD1-CG 4.38Å; I725-F748 HydrophobicContact CD1-CZ 3.35Å; I725-V764 HydrophobicContact CD1-CG1 4.2Å; I725-V764 HydrophobicContact CD1-CG2 3.92Å; I725-V764 HydrophobicContact CG1-CG1 4.46Å; I725-V764 HydrophobicContact CG1-CG2 4.25Å; I725-L775 HydrophobicContact CD1-CD1 4.37Å
726	Q	96.9	Very high	95.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.3	172	-60.5	-166.9	59.2	0	0	110	G699 Q700 F701 V717 D719 L728 R736 I737	G699-Q726 VanDerWaalsContact N-OE1 3.14Å; Q700-Q726 PolarHBondContact O-NE2 2.95Å; F701-Q726 HydrophobicContact CE1-CB 4.12Å; F701-Q726 HydrophobicContact CE1-CG 4.21Å; F701-Q726 VanDerWaalsContact CE1-NE2 3.35Å; V717-Q726 PolarHBondContact N-O 3.07Å; V717-Q726 PolarHBondContact O-N 2.75Å; D719-Q726 PolarHBondContact OD2-NE2 2.87Å; Q726-L728 HydrophobicContact CB-CD2 4.5Å; Q726-R736 WeakPolarHBondContact CA-O 3.41Å; Q726-I737 HydrophobicContact CG-CD1 4.3Å; Q726-I737 HydrophobicContact CG-CG1 3.99Å; Q726-I737 HydrophobicContact CG-CG2 4.23Å
727	V	97	Very high	95.1	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	122.2	171.9	-174.6	0	0	0	0	107.8	Q714 M715 I716 V735 R736 F738	Q714-V727 HydrophobicContact CB-CG1 4.04Å; M715-V727 CarbonylContact O-C 3.52Å; M715-V727 WeakPolarHBondContact O-CA 3.42Å; I716-V727 HydrophobicContact CG1-CG1 4.29Å; I716-V727 HydrophobicContact CG1-CG2 4.15Å; I716-V727 HydrophobicContact CG2-CG2 4.32Å; V727-V735 PolarHBondContact O-N 3.15Å; V727-R736 HydrophobicContact CB-CB 4.23Å; V727-R736 HydrophobicContact CG2-CB 4.38Å; V727-R736 PolarHBondContact N-O 3.3Å; V727-R736 PolarHBondContact O-N 2.86Å; V727-F738 HydrophobicContact CG2-CE1 3.45Å; V727-F738 VanDerWaalsContact CG2-CE1 3.45Å; V727-F738 HydrophobicContact CG2-CZ 3.83Å
728	L	96.7	Very high	94.9	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	147.8	177.9	-49.4	-178.7	0	0	0	109.9	I678 F701 Q714 M715 V717 Q726 R733 T734	I678-L728 HydrophobicContact CD1-CD1 3.53Å; F701-L728 HydrophobicContact CZ-CD1 4.08Å; F701-L728 HydrophobicContact CZ-CD2 4.38Å; Q714-L728 CarbonylContact C-O 3.51Å; Q714-L728 WeakPolarHBondContact CA-O 3.25Å; Q714-L728 WeakPolarHBondContact CB-O 3.22Å; M715-L728 HydrophobicContact CB-CB 4.31Å; M715-L728 HydrophobicContact CE-CB 3.99Å; M715-L728 HydrophobicContact CE-CD1 4.16Å; M715-L728 PolarHBondContact N-O 3.38Å; M715-L728 PolarHBondContact O-N 2.82Å; V717-L728 HydrophobicContact CG2-CD1 4.4Å; Q726-L728 HydrophobicContact CB-CD2 4.5Å; L728-R733 CarbonylContact C-O 3.55Å; L728-R733 VanDerWaalsContact CA-O 3.27Å; L728-R733 WeakPolarHBondContact CA-O 3.46Å; L728-T734 HydrophobicContact CD2-CG2 4.27Å; L728-T734 WeakPolarHBondContact CD2-OG1 3.45Å
729	D	94.4	Very high	94.5	Very high	35 Å²	35	44.8 Å²	44.8	19%	0.187	23%	0.227	C	C	.	.			trans	-73.6	170	166.5	75.4	10.6	0	0	0	110.9	M715 S731 G732 R733 V735	M715-D729 VanDerWaalsContact CE-O 3.31Å; M715-D729 WeakPolarHBondContact CE-O 3.32Å; D729-S731 PolarHBondContact O-N 3.22Å; D729-S731 VanDerWaalsContact O-N 3.07Å; D729-S731 VanDerWaalsContact OD1-C 3.25Å; D729-S731 VanDerWaalsContact OD1-CA 3.23Å; D729-S731 WeakPolarHBondContact OD1-CA 3.11Å; D729-S731 WeakPolarHBondContact OD1-CB 3.35Å; D729-S731 PolarHBondContact OD1-N 3.04Å; D729-S731 PolarHBondContact OD1-OG 2.77Å; D729-S731 PolarHBondContact OD2-OG 3.3Å; D729-G732 PolarHBondContact O-N 3.39Å; D729-G732 PolarHBondContact OD1-N 3.22Å; D729-R733 PolarHBondContact N-O 3.45Å; D729-R733 PolarHBondContact OD1-N 2.93Å; D729-R733 IonicContact OD2-NE 2.8Å; D729-V735 HydrophobicContact CB-CG2 3.81Å
730	P	92	Very high	94.3	Very high	73 Å²	73	47 Å²	47	47%	0.474	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.1	177	-23.9	32.1	0	0	0	114.6	G713 G732	G713-P730 WeakPolarHBondContact O-CG 3.36Å; P730-G732 VanDerWaalsContact C-N 3.32Å
731	S	91	Very high	94.1	Very high	57 Å²	57	50.7 Å²	50.7	40%	0.399	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-3	175.8	79	0	0	0	0	113.5	F691 D729 R733	F691-S731 WeakPolarHBondContact CE1-O 3.21Å; D729-S731 PolarHBondContact O-N 3.22Å; D729-S731 VanDerWaalsContact O-N 3.07Å; D729-S731 VanDerWaalsContact OD1-C 3.25Å; D729-S731 VanDerWaalsContact OD1-CA 3.23Å; D729-S731 WeakPolarHBondContact OD1-CA 3.11Å; D729-S731 WeakPolarHBondContact OD1-CB 3.35Å; D729-S731 PolarHBondContact OD1-N 3.04Å; D729-S731 PolarHBondContact OD1-OG 2.77Å; D729-S731 PolarHBondContact OD2-OG 3.3Å; S731-R733 PolarHBondContact OG-NE 3.26Å
732	G	90.8	Very high	93.8	Very high	16 Å²	16	46.2 Å²	46.2	17%	0.165	25%	0.247	C	C	.	.	S	Bend	trans	85.1	6.8	-179.6	0	0	0	0	0	114.8	D729 P730	D729-G732 PolarHBondContact O-N 3.39Å; D729-G732 PolarHBondContact OD1-N 3.22Å; P730-G732 VanDerWaalsContact C-N 3.32Å
733	R	93.1	Very high	93.4	Very high	178 Å²	178	51.8 Å²	51.8	67%	0.672	27%	0.273	S	S	*	.			trans	-78.5	135.2	175.7	-65.3	-178.5	-112	-170.9	-5.3	110	L728 D729 S731 V735	L728-R733 CarbonylContact C-O 3.55Å; L728-R733 VanDerWaalsContact CA-O 3.27Å; L728-R733 WeakPolarHBondContact CA-O 3.46Å; D729-R733 PolarHBondContact N-O 3.45Å; D729-R733 PolarHBondContact OD1-N 2.93Å; D729-R733 IonicContact OD2-NE 2.8Å; S731-R733 PolarHBondContact OG-NE 3.26Å; R733-V735 PolarHBondContact O-N 3.43Å
734	T	94.3	Very high	93	Very high	43 Å²	43	54.4 Å²	54.4	26%	0.264	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	120.1	177	-52.5	0	0	0	0	110.9	G699 L728 I737	G699-T734 WeakPolarHBondContact CA-OG1 3.43Å; G699-T734 PolarHBondContact N-OG1 3.05Å; G699-T734 VanDerWaalsContact N-OG1 3.08Å; L728-T734 HydrophobicContact CD2-CG2 4.27Å; L728-T734 WeakPolarHBondContact CD2-OG1 3.45Å; T734-I737 HydrophobicContact CG2-CD1 3.97Å; T734-I737 HydrophobicContact CG2-CG1 3.59Å
735	V	93.7	Very high	92.7	Very high	72 Å²	72	57.1 Å²	57.1	44%	0.436	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-43.5	176.5	-172.3	0	0	0	0	110.1	V727 D729 R733	V727-V735 PolarHBondContact O-N 3.15Å; D729-V735 HydrophobicContact CB-CG2 3.81Å; R733-V735 PolarHBondContact O-N 3.43Å
736	R	94.4	Very high	92.3	Very high	122 Å²	122	58.1 Å²	58.1	46%	0.46	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	152.8	-177.5	-59	-174.8	-173.8	-139.5	5.3	111.5	Q726 V727 F738	Q726-R736 WeakPolarHBondContact CA-O 3.41Å; V727-R736 HydrophobicContact CB-CB 4.23Å; V727-R736 HydrophobicContact CG2-CB 4.38Å; V727-R736 PolarHBondContact N-O 3.3Å; V727-R736 PolarHBondContact O-N 2.86Å; R736-F738 HydrophobicContact CB-CD1 4.43Å
737	I	95.6	Very high	92.1	Very high	64 Å²	64	61.3 Å²	61.3	33%	0.328	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	130.9	170.7	-53.7	-173.6	0	0	0	107.1	T698 R724 I725 Q726 T734	T698-I737 HydrophobicContact CG2-CD1 3.78Å; R724-I737 HydrophobicContact CG-CG2 4.46Å; I725-I737 WeakPolarHBondContact O-CA 3.42Å; Q726-I737 HydrophobicContact CG-CD1 4.3Å; Q726-I737 HydrophobicContact CG-CG1 3.99Å; Q726-I737 HydrophobicContact CG-CG2 4.23Å; T734-I737 HydrophobicContact CG2-CD1 3.97Å; T734-I737 HydrophobicContact CG2-CG1 3.59Å
738	F	93.3	Very high	92.1	Very high	21 Å²	21	61 Å²	61	9%	0.092	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	158	175.6	43.7	-94.3	0	0	0	111.2	R724 I725 V727 R736 I762 L775	R724-F738 WeakPolarHBondContact CA-O 3.34Å; R724-F738 WeakPolarHBondContact CB-O 3.4Å; I725-F738 HydrophobicContact CB-CD2 3.64Å; I725-F738 HydrophobicContact CB-CE2 3.27Å; I725-F738 HydrophobicContact CB-CG 4.48Å; I725-F738 HydrophobicContact CB-CZ 3.85Å; I725-F738 HydrophobicContact CD1-CD2 3.74Å; I725-F738 HydrophobicContact CD1-CE2 3.67Å; I725-F738 HydrophobicContact CG1-CD2 4.27Å; I725-F738 HydrophobicContact CG1-CE2 3.89Å; I725-F738 HydrophobicContact CG2-CD2 4.17Å; I725-F738 HydrophobicContact CG2-CE1 4.31Å; I725-F738 HydrophobicContact CG2-CE2 3.33Å; I725-F738 HydrophobicContact CG2-CZ 3.39Å; I725-F738 PolarHBondContact N-O 2.79Å; I725-F738 PolarHBondContact O-N 3.33Å; V727-F738 HydrophobicContact CG2-CE1 3.45Å; V727-F738 VanDerWaalsContact CG2-CE1 3.45Å; V727-F738 HydrophobicContact CG2-CZ 3.83Å; R736-F738 HydrophobicContact CB-CD1 4.43Å; F738-I762 HydrophobicContact CE2-CD1 4.49Å; F738-I762 HydrophobicContact CZ-CD1 3.78Å; F738-L775 HydrophobicContact CD2-CD1 3.56Å; F738-L775 HydrophobicContact CE2-CD1 3.51Å
739	G	90.8	Very high	92.1	Very high	33 Å²	33	62.3 Å²	62.3	34%	0.34	34%	0.335	S	S	.	.			trans	88.6	161	-174.4	0	0	0	0	0	113.8	G746	G739-G746 WeakPolarHBondContact CA-O 3.32Å
740	S	90.8	Very high	92.2	Very high	47 Å²	47	62 Å²	62	33%	0.329	33%	0.334	S	S	.	.			trans	-160.2	165.7	174.7	63.3	0	0	0	0	107.8	H723 G742 R747 F748	H723-S740 CarbonylContact O-C 3.27Å; H723-S740 VanDerWaalsContact O-C 3.28Å; H723-S740 WeakPolarHBondContact O-CA 3.21Å; H723-S740 PolarHBondContact O-N 3.01Å; S740-G742 PolarHBondContact O-N 3.36Å; S740-R747 CarbonylContact O-C 3.55Å; S740-R747 VanDerWaalsContact O-CA 3.31Å; S740-R747 WeakPolarHBondContact O-CA 3.5Å; S740-R747 VanDerWaalsContact O-CB 3.32Å; S740-R747 WeakPolarHBondContact O-CB 3.45Å; S740-F748 PolarHBondContact O-N 3.41Å
741	H	91.3	Very high	92.5	Very high	101 Å²	101	58.6 Å²	58.6	47%	0.468	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-56.5	131.2	176.2	-170	78.1	0	0	0	112.8	H723 R747 F748 N749	H723-H741 HydrophobicContact CB-CB 3.94Å; H723-H741 AromaticContact CD2-CG 3.59Å; H723-H741 AromaticContact CD2-ND1 3.06Å; H723-H741 PolarHBondContact CD2-ND1 2.83Å; H723-H741 AromaticContact CE1-CE1 3.97Å; H723-H741 AromaticContact CE1-ND1 3.35Å; H723-H741 PolarHBondContact CE1-ND1 2.84Å; H723-H741 AromaticContact CG-ND1 3.37Å; H723-H741 AromaticContact ND1-ND1 3.61Å; H723-H741 AromaticContact NE2-CE1 3.77Å; H723-H741 AromaticContact NE2-CG 3.88Å; H723-H741 AromaticContact NE2-ND1 2.99Å; H723-H741 PolarHBondContact NE2-ND1 2.93Å; H741-R747 WeakPolarHBondContact O-CD 3.18Å; H741-R747 PolarHBondContact O-NH1 3.11Å; H741-F748 CarbonylContact C-O 3.56Å; H741-F748 VanDerWaalsContact CA-O 3.26Å; H741-F748 WeakPolarHBondContact CA-O 3.37Å; H741-N749 PolarHBondContact CE1-OD1 3.19Å; H741-N749 VanDerWaalsContact CE1-OD1 3.29Å
742	G	88.1	Confident	92.8	Very high	13 Å²	13	56.6 Å²	56.6	13%	0.134	30%	0.295	C	S	.	.	S	Bend	trans	153.7	177.1	168.9	0	0	0	0	0	114.3	S740 R747 F748 N769	S740-G742 PolarHBondContact O-N 3.36Å; G742-R747 CarbonylContact O-C 3.58Å; G742-F748 PolarHBondContact N-O 3.34Å; G742-F748 CarbonylContact O-C 3.55Å; G742-F748 VanDerWaalsContact O-C 3.29Å; G742-F748 PolarHBondContact O-N 2.92Å; G742-N769 PolarHBondContact O-ND2 3.24Å
743	Q	86.7	Confident	93.1	Very high	146 Å²	146	55.9 Å²	55.9	68%	0.682	29%	0.287	S	S	*	.	S	Bend	trans	-101.5	-8.7	-177.8	-52.2	-177.9	12.3	0	0	113.1	N769 R771	Q743-N769 WeakPolarHBondContact CG-OD1 3.32Å; Q743-R771 VanDerWaalsContact O-CZ 3.26Å; Q743-R771 PolarHBondContact O-NH1 2.83Å; Q743-R771 PolarHBondContact O-NH2 3.36Å; Q743-R771 VanDerWaalsContact O-NH2 3.09Å
744	T	88.4	Confident	93.3	Very high	86 Å²	86	47.5 Å²	47.5	53%	0.528	26%	0.256	S	S	.	.	S	Bend	trans	-76.4	168.4	-179	57.7	0	0	0	0	111.9	G746 R747 R771	T744-G746 PolarHBondContact O-N 3.41Å; T744-R747 PolarHBondContact O-N 2.97Å; T744-R747 VanDerWaalsContact O-N 3.1Å; T744-R747 VanDerWaalsContact OG1-CD 3.27Å; T744-R747 WeakPolarHBondContact OG1-CD 3.38Å; T744-R747 WeakPolarHBondContact OG1-CG 3.49Å; T744-R771 PolarHBondContact O-NH2 3.33Å
745	N	89.9	Confident	93.5	Very high	84 Å²	84	46.2 Å²	46.2	45%	0.449	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	134.3	178.9	-65.2	-8.8	0	0	0	111	R747 Y781	N745-R747 PolarHBondContact O-N 2.92Å; N745-Y781 HydrophobicContact CB-CD1 3.89Å; N745-Y781 HydrophobicContact CB-CD2 3.88Å; N745-Y781 HydrophobicContact CB-CE1 3.74Å; N745-Y781 HydrophobicContact CB-CE2 3.73Å; N745-Y781 HydrophobicContact CB-CG 3.94Å; N745-Y781 VanDerWaalsContact CG-CZ 3.41Å; N745-Y781 WeakPolarHBondContact ND2-CE1 3.25Å
746	G	88.8	Confident	93.5	Very high	22 Å²	22	44.4 Å²	44.4	23%	0.227	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	-4.5	-175.3	0	0	0	0	0	114.8	G739 T744	G739-G746 WeakPolarHBondContact CA-O 3.32Å; T744-G746 PolarHBondContact O-N 3.41Å
747	R	93.1	Very high	93.4	Very high	67 Å²	67	38.8 Å²	38.8	25%	0.253	22%	0.215	S	C	.	.			trans	-102.8	152	170	-61.7	-161.1	177.9	-157.7	1.5	110.4	S326 S740 H741 G742 T744 N745 R771 Q773	S326-R747 PolarHBondContact OG-NH2 3.18Å; S740-R747 CarbonylContact O-C 3.55Å; S740-R747 VanDerWaalsContact O-CA 3.31Å; S740-R747 WeakPolarHBondContact O-CA 3.5Å; S740-R747 VanDerWaalsContact O-CB 3.32Å; S740-R747 WeakPolarHBondContact O-CB 3.45Å; H741-R747 WeakPolarHBondContact O-CD 3.18Å; H741-R747 PolarHBondContact O-NH1 3.11Å; G742-R747 CarbonylContact O-C 3.58Å; T744-R747 PolarHBondContact O-N 2.97Å; T744-R747 VanDerWaalsContact O-N 3.1Å; T744-R747 VanDerWaalsContact OG1-CD 3.27Å; T744-R747 WeakPolarHBondContact OG1-CD 3.38Å; T744-R747 WeakPolarHBondContact OG1-CG 3.49Å; N745-R747 PolarHBondContact O-N 2.92Å; R747-R771 PolarHBondContact O-NH2 3.32Å; R747-Q773 PolarHBondContact O-NE2 2.92Å
748	F	96.7	Very high	93	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-125.3	156.6	-174.4	-62.4	-82.2	0	0	0	111.3	I725 S740 H741 G742 P751 V764 D766 Q773 L775	I725-F748 HydrophobicContact CD1-CD1 4.46Å; I725-F748 HydrophobicContact CD1-CD2 3.78Å; I725-F748 HydrophobicContact CD1-CE1 3.99Å; I725-F748 HydrophobicContact CD1-CE2 3.23Å; I725-F748 HydrophobicContact CD1-CG 4.38Å; I725-F748 HydrophobicContact CD1-CZ 3.35Å; S740-F748 PolarHBondContact O-N 3.41Å; H741-F748 CarbonylContact C-O 3.56Å; H741-F748 VanDerWaalsContact CA-O 3.26Å; H741-F748 WeakPolarHBondContact CA-O 3.37Å; G742-F748 PolarHBondContact N-O 3.34Å; G742-F748 CarbonylContact O-C 3.55Å; G742-F748 VanDerWaalsContact O-C 3.29Å; G742-F748 PolarHBondContact O-N 2.92Å; F748-P751 HydrophobicContact CB-CB 4.05Å; F748-P751 HydrophobicContact CB-CG 3.88Å; F748-P751 HydrophobicContact CD1-CB 4Å; F748-P751 HydrophobicContact CG-CB 4.14Å; F748-P751 HydrophobicContact CG-CG 4.28Å; F748-V764 HydrophobicContact CD1-CG1 4.08Å; F748-V764 HydrophobicContact CE1-CB 3.82Å; F748-V764 HydrophobicContact CE1-CG1 3.7Å; F748-V764 HydrophobicContact CE1-CG2 4.38Å; F748-V764 HydrophobicContact CZ-CB 4.38Å; F748-V764 HydrophobicContact CZ-CG1 4.43Å; F748-V764 HydrophobicContact CZ-CG2 4.47Å; F748-D766 WeakPolarHBondContact CA-OD1 3.31Å; F748-D766 HydrophobicContact CD1-CB 4.12Å; F748-Q773 HydrophobicContact CE1-CB 4.07Å; F748-Q773 HydrophobicContact CE1-CG 4.35Å; F748-Q773 VanDerWaalsContact CE1-NE2 3.34Å; F748-Q773 HydrophobicContact CZ-CB 4.49Å; F748-L775 HydrophobicContact CE2-CD1 4.43Å; F748-L775 HydrophobicContact CZ-CD1 3.94Å
749	N	96.6	Very high	92.7	Very high	29 Å²	29	45.2 Å²	45.2	16%	0.155	25%	0.247	C	C	.	.	S	Bend	trans	-130.6	106.8	168.2	-168.6	10	0	0	0	108.6	H741 D766 D768 N769	H741-N749 PolarHBondContact CE1-OD1 3.19Å; H741-N749 VanDerWaalsContact CE1-OD1 3.29Å; N749-D766 PolarHBondContact N-OD1 2.84Å; N749-D768 HydrophobicContact CB-CB 4.08Å; N749-D768 WeakPolarHBondContact ND2-CB 3.46Å; N749-D768 PolarHBondContact O-N 2.76Å; N749-N769 WeakPolarHBondContact CB-ND2 3.47Å; N749-N769 WeakPolarHBondContact CB-OD1 3.48Å; N749-N769 PolarHBondContact N-ND2 3.48Å
750	N	96.6	Very high	92.7	Very high	29 Å²	29	44.3 Å²	44.3	16%	0.155	24%	0.238	C	C	.	.	S	Bend	trans	45.4	62.7	-172	-69.6	-42.8	0	0	0	113.7	R720 H723 K767 D768	R720-N750 WeakPolarHBondContact O-CA 3.32Å; R720-N750 PolarHBondContact O-OD1 2.73Å; R720-N750 VanDerWaalsContact O-OD1 3.05Å; H723-N750 PolarHBondContact CE1-OD1 3.46Å; H723-N750 PolarHBondContact ND1-N 2.78Å; H723-N750 PolarHBondContact ND1-OD1 2.95Å; N750-K767 VanDerWaalsContact O-CB 3.29Å; N750-K767 WeakPolarHBondContact O-CB 3.25Å; N750-D768 VanDerWaalsContact CB-OD2 3.31Å; N750-D768 WeakPolarHBondContact CB-OD2 3.45Å; N750-D768 PolarHBondContact ND2-OD2 2.95Å
751	P	98	Very high	92.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	143.3	178.4	28.3	-33.8	0	0	0	110.8	T718 F748 V764 C765	T718-P751 HydrophobicContact CG2-CB 4.25Å; F748-P751 HydrophobicContact CB-CB 4.05Å; F748-P751 HydrophobicContact CB-CG 3.88Å; F748-P751 HydrophobicContact CD1-CB 4Å; F748-P751 HydrophobicContact CG-CB 4.14Å; F748-P751 HydrophobicContact CG-CG 4.28Å; P751-V764 HydrophobicContact CB-CG1 3.84Å; P751-C765 WeakPolarHBondContact CA-O 3.3Å
752	W	97.8	Very high	93.1	Very high	16 Å²	16	39.9 Å²	39.9	6%	0.061	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	-98.7	-171.9	-157.1	-72.8	0	0	0	112	A705 G706 T718 C765 K767 H799 F800 E893	A705-W752 HydrophobicContact CB-CD2 3.94Å; A705-W752 HydrophobicContact CB-CE3 4.3Å; A705-W752 HydrophobicContact CB-CG 4.05Å; G706-W752 WeakPolarHBondContact CA-O 3.4Å; G706-W752 PolarHBondContact N-O 2.97Å; T718-W752 WeakPolarHBondContact CB-O 3.48Å; T718-W752 VanDerWaalsContact CG2-O 3.29Å; T718-W752 WeakPolarHBondContact CG2-O 3.46Å; T718-W752 PolarHBondContact OG1-O 3.12Å; W752-C765 PolarHBondContact N-O 2.92Å; W752-K767 HydrophobicContact CB-CB 4.3Å; W752-K767 HydrophobicContact CD2-CD 4.3Å; W752-K767 HydrophobicContact CE3-CD 3.49Å; W752-K767 VanDerWaalsContact CE3-CD 3.49Å; W752-K767 HydrophobicContact CZ3-CD 3.85Å; W752-H799 WeakPolarHBondContact CB-O 3.31Å; W752-H799 AromaticContact CE2-ND1 3.61Å; W752-H799 HydrophobicContact CG-CB 4.48Å; W752-H799 AromaticContact CH2-CE1 3.96Å; W752-H799 AromaticContact CZ2-CE1 3.86Å; W752-H799 AromaticContact CZ2-ND1 3.75Å; W752-H799 AromaticContact NE1-ND1 3.85Å; W752-F800 AromaticContact CD1-CE2 3.7Å; W752-F800 AromaticContact CD1-CZ 3.79Å; W752-F800 AromaticContact NE1-CD2 4Å; W752-F800 AromaticContact NE1-CE2 3.25Å; W752-F800 VanDerWaalsContact NE1-CE2 3.25Å; W752-F800 AromaticContact NE1-CZ 3.42Å; W752-E893 WeakPolarHBondContact CZ2-OE2 3.43Å
753	G	97.2	Very high	93.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	143	179.4	0	0	0	0	0	111.9	V764 C765 H799	G753-V764 WeakPolarHBondContact O-CA 3.4Å; G753-C765 PolarHBondContact O-N 3.32Å; G753-H799 WeakPolarHBondContact CA-O 3.34Å; G753-H799 PolarHBondContact N-O 2.83Å
754	V	97.9	Very high	94.1	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.018	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	138.7	173.2	59.2	0	0	0	0	109.3	C708 I716 T718 I762 Y763 V764	C708-V754 WeakPolarHBondContact CB-O 3.49Å; I716-V754 HydrophobicContact CG2-CG2 3.83Å; I716-V754 WeakPolarHBondContact O-CG1 3.32Å; T718-V754 HydrophobicContact CG2-CB 3.74Å; T718-V754 HydrophobicContact CG2-CG1 3.86Å; V754-I762 HydrophobicContact CG2-CG2 3.6Å; V754-Y763 WeakPolarHBondContact CA-O 3.31Å; V754-V764 HydrophobicContact CG2-CG2 4Å
755	T	96.9	Very high	94.6	Very high	16 Å²	16	28.4 Å²	28.4	10%	0.098	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	164.8	171.7	-163.8	0	0	0	0	109.9	I762 Y763 I801	T755-I762 WeakPolarHBondContact O-CA 3.32Å; T755-Y763 HydrophobicContact CG2-CD2 4.15Å; T755-Y763 HydrophobicContact CG2-CG 4.48Å; T755-Y763 PolarHBondContact N-O 2.86Å; T755-Y763 PolarHBondContact O-N 3.15Å; T755-I801 WeakPolarHBondContact CB-O 3.39Å; T755-I801 HydrophobicContact CG2-CB 4.42Å; T755-I801 HydrophobicContact CG2-CD1 4.44Å; T755-I801 HydrophobicContact CG2-CG1 3.9Å; T755-I801 HydrophobicContact CG2-CG2 3.98Å
756	M	95	Very high	95	Very high	34 Å²	34	24.4 Å²	24.4	17%	0.167	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	133.9	178	-161	-171.9	77	0	0	109.7	N710 I716 F761 I762	N710-M756 HydrophobicContact CB-CE 3.2Å; N710-M756 HydrophobicContact CB-SD 3.79Å; I716-M756 HydrophobicContact CD1-CB 4.24Å; I716-M756 HydrophobicContact CD1-CG 4.31Å; I716-M756 HydrophobicContact CD1-SD 3.72Å; M756-F761 CarbonylContact C-O 3.49Å; M756-F761 VanDerWaalsContact CA-O 3.24Å; M756-F761 WeakPolarHBondContact CA-O 3.49Å; M756-F761 VanDerWaalsContact CG-O 3.26Å; M756-F761 WeakPolarHBondContact CG-O 3.47Å; M756-I762 HydrophobicContact CG-CG1 4.04Å; M756-I762 HydrophobicContact SD-CG1 4.42Å
757	D	91.7	Very high	95.4	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	12%	0.124	C	C	.	.			trans	-79.5	171	173.5	72.2	11.6	0	0	0	111.8	Q759 G760 F761 Y763 R824	D757-Q759 PolarHBondContact O-N 2.88Å; D757-Q759 WeakPolarHBondContact OD1-CA 3.38Å; D757-Q759 WeakPolarHBondContact OD1-CB 3.37Å; D757-Q759 PolarHBondContact OD1-N 3.26Å; D757-G760 PolarHBondContact O-N 3.15Å; D757-G760 PolarHBondContact OD1-N 2.62Å; D757-F761 PolarHBondContact N-O 3.2Å; D757-F761 PolarHBondContact OD1-N 3.34Å; D757-Y763 HydrophobicContact CB-CE2 3.83Å; D757-Y763 PolarHBondContact OD2-OH 3.03Å; D757-R824 IonicContact OD2-CZ 3.97Å; D757-R824 IonicContact OD2-NE 3.25Å; D757-R824 PolarHBondContact OD2-NE 2.79Å; D757-R824 IonicContact OD2-NH2 3.84Å; D757-R824 PolarHBondContact OD2-NH2 3.45Å
758	L	87.4	Confident	95.5	Very high	131 Å²	131	23.8 Å²	23.8	69%	0.686	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-17.3	179.5	-64.8	175.9	0	0	0	113.2	G760	L758-G760 VanDerWaalsContact C-N 3.34Å
759	Q	86.7	Confident	95.5	Very high	88 Å²	88	24.8 Å²	24.8	41%	0.411	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-6.8	177.2	-62.5	90.8	-55.3	0	0	112	D757 F761 N807 R824	D757-Q759 PolarHBondContact O-N 2.88Å; D757-Q759 WeakPolarHBondContact OD1-CA 3.38Å; D757-Q759 WeakPolarHBondContact OD1-CB 3.37Å; D757-Q759 PolarHBondContact OD1-N 3.26Å; Q759-F761 HydrophobicContact CB-CD2 3.95Å; Q759-F761 HydrophobicContact CB-CE2 4.17Å; Q759-N807 PolarHBondContact NE2-ND2 3.39Å; Q759-R824 VanDerWaalsContact CB-NH2 3.3Å
760	G	90.8	Very high	95.6	Very high	15 Å²	15	24.8 Å²	24.8	16%	0.155	13%	0.126	C	C	.	.			trans	88.7	13.5	177.9	0	0	0	0	0	114.9	D757 L758 A777	D757-G760 PolarHBondContact O-N 3.15Å; D757-G760 PolarHBondContact OD1-N 2.62Å; L758-G760 VanDerWaalsContact C-N 3.34Å; G760-A777 PolarHBondContact O-N 2.98Å
761	F	94.7	Very high	95.6	Very high	53 Å²	53	23.9 Å²	23.9	23%	0.232	12%	0.12	C	C	.	.			trans	-77.3	133.8	169.7	-69.5	-93.1	0	0	0	109.8	M756 D757 Q759 Y763 I774 L775 Q776 V782	M756-F761 CarbonylContact C-O 3.49Å; M756-F761 VanDerWaalsContact CA-O 3.24Å; M756-F761 WeakPolarHBondContact CA-O 3.49Å; M756-F761 VanDerWaalsContact CG-O 3.26Å; M756-F761 WeakPolarHBondContact CG-O 3.47Å; D757-F761 PolarHBondContact N-O 3.2Å; D757-F761 PolarHBondContact OD1-N 3.34Å; Q759-F761 HydrophobicContact CB-CD2 3.95Å; Q759-F761 HydrophobicContact CB-CE2 4.17Å; F761-Y763 HydrophobicContact CB-CE2 3.82Å; F761-Y763 WeakPolarHBondContact O-CE2 3.42Å; F761-I774 HydrophobicContact CB-CG2 4.31Å; F761-I774 HydrophobicContact CD1-CG2 3.99Å; F761-L775 CarbonylContact C-O 3.56Å; F761-L775 WeakPolarHBondContact CA-O 3.27Å; F761-Q776 HydrophobicContact CE1-CG 4.26Å; F761-V782 HydrophobicContact CD1-CG1 4.44Å; F761-V782 HydrophobicContact CD1-CG2 4.03Å; F761-V782 HydrophobicContact CE1-CB 4.45Å; F761-V782 HydrophobicContact CE1-CG1 4.01Å; F761-V782 HydrophobicContact CE1-CG2 3.81Å
762	I	96.2	Very high	95.7	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.5	179.7	-55.2	174.7	0	0	0	107.6	I716 F738 V754 T755 M756 V764 I774 L775	I716-I762 HydrophobicContact CD1-CD1 3.91Å; I716-I762 HydrophobicContact CD1-CG1 4.06Å; I716-I762 HydrophobicContact CG2-CD1 4.39Å; I716-I762 HydrophobicContact CG2-CG2 4.24Å; F738-I762 HydrophobicContact CE2-CD1 4.49Å; F738-I762 HydrophobicContact CZ-CD1 3.78Å; V754-I762 HydrophobicContact CG2-CG2 3.6Å; T755-I762 WeakPolarHBondContact O-CA 3.32Å; M756-I762 HydrophobicContact CG-CG1 4.04Å; M756-I762 HydrophobicContact SD-CG1 4.42Å; I762-V764 HydrophobicContact CG2-CG2 3.87Å; I762-I774 WeakPolarHBondContact O-CA 3.45Å; I762-L775 HydrophobicContact CB-CB 4.32Å; I762-L775 PolarHBondContact N-O 2.93Å; I762-L775 PolarHBondContact O-N 2.87Å
763	Y	97.9	Very high	95.6	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.012	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.1	176.7	-52.5	-96.6	0	0	0	108.6	V754 T755 D757 F761 Q773 I774 L809 R824	V754-Y763 WeakPolarHBondContact CA-O 3.31Å; T755-Y763 HydrophobicContact CG2-CD2 4.15Å; T755-Y763 HydrophobicContact CG2-CG 4.48Å; T755-Y763 PolarHBondContact N-O 2.86Å; T755-Y763 PolarHBondContact O-N 3.15Å; D757-Y763 HydrophobicContact CB-CE2 3.83Å; D757-Y763 PolarHBondContact OD2-OH 3.03Å; F761-Y763 HydrophobicContact CB-CE2 3.82Å; F761-Y763 WeakPolarHBondContact O-CE2 3.42Å; Y763-Q773 WeakPolarHBondContact CA-O 3.44Å; Y763-I774 HydrophobicContact CD1-CB 4.37Å; Y763-I774 HydrophobicContact CD1-CD1 4.35Å; Y763-I774 HydrophobicContact CD1-CG1 3.82Å; Y763-I774 HydrophobicContact CD1-CG2 4.08Å; Y763-I774 HydrophobicContact CE1-CB 4.39Å; Y763-I774 HydrophobicContact CE1-CD1 4.03Å; Y763-I774 HydrophobicContact CE1-CG1 3.93Å; Y763-I774 HydrophobicContact CE1-CG2 3.73Å; Y763-L809 HydrophobicContact CD1-CD1 3.47Å; Y763-L809 VanDerWaalsContact CD1-CD1 3.47Å; Y763-L809 HydrophobicContact CD1-CD2 3.93Å; Y763-L809 HydrophobicContact CD1-CG 4.36Å; Y763-L809 HydrophobicContact CD2-CD2 3.96Å; Y763-L809 HydrophobicContact CE1-CD1 3.46Å; Y763-L809 VanDerWaalsContact CE1-CD1 3.46Å; Y763-L809 HydrophobicContact CE1-CD2 3.94Å; Y763-L809 HydrophobicContact CE1-CG 4.3Å; Y763-L809 HydrophobicContact CE2-CD2 3.98Å; Y763-L809 HydrophobicContact CG-CD1 4.27Å; Y763-L809 HydrophobicContact CG-CD2 3.95Å; Y763-R824 WeakPolarHBondContact OH-CG 3.23Å
764	V	98.4	Very high	95.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.6	-174.5	-175.3	0	0	0	0	109.8	T718 I725 F748 P751 G753 V754 I762 D766 V772 Q773	T718-V764 HydrophobicContact CG2-CG1 4.06Å; I725-V764 HydrophobicContact CD1-CG1 4.2Å; I725-V764 HydrophobicContact CD1-CG2 3.92Å; I725-V764 HydrophobicContact CG1-CG1 4.46Å; I725-V764 HydrophobicContact CG1-CG2 4.25Å; F748-V764 HydrophobicContact CD1-CG1 4.08Å; F748-V764 HydrophobicContact CE1-CB 3.82Å; F748-V764 HydrophobicContact CE1-CG1 3.7Å; F748-V764 HydrophobicContact CE1-CG2 4.38Å; F748-V764 HydrophobicContact CZ-CB 4.38Å; F748-V764 HydrophobicContact CZ-CG1 4.43Å; F748-V764 HydrophobicContact CZ-CG2 4.47Å; P751-V764 HydrophobicContact CB-CG1 3.84Å; G753-V764 WeakPolarHBondContact O-CA 3.4Å; V754-V764 HydrophobicContact CG2-CG2 4Å; I762-V764 HydrophobicContact CG2-CG2 3.87Å; V764-D766 PolarHBondContact O-N 3.32Å; V764-V772 WeakPolarHBondContact O-CA 3.16Å; V764-Q773 PolarHBondContact N-O 2.89Å; V764-Q773 PolarHBondContact O-N 2.67Å
765	C	98.4	Very high	95.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	113.5	168.1	-70.1	0	0	0	0	109.4	P751 W752 G753 K767 P798 I801	P751-C765 WeakPolarHBondContact CA-O 3.3Å; W752-C765 PolarHBondContact N-O 2.92Å; G753-C765 PolarHBondContact O-N 3.32Å; C765-K767 PolarHBondContact O-N 2.83Å; C765-P798 HydrophobicContact CB-CB 4.42Å; C765-I801 VanDerWaalsContact SG-CB 3.59Å; C765-I801 VanDerWaalsContact SG-CG2 3.6Å
766	D	97.8	Very high	95.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	77.1	179.4	-167.7	6.4	0	0	0	108.1	F748 N749 V764 D768 N769 H770 R771 Q773	F748-D766 WeakPolarHBondContact CA-OD1 3.31Å; F748-D766 HydrophobicContact CD1-CB 4.12Å; N749-D766 PolarHBondContact N-OD1 2.84Å; V764-D766 PolarHBondContact O-N 3.32Å; D766-D768 PolarHBondContact O-N 2.96Å; D766-N769 HydrophobicContact CB-CB 4.3Å; D766-N769 VanDerWaalsContact CG-ND2 3.28Å; D766-N769 CarbonylContact O-C 3.52Å; D766-N769 PolarHBondContact O-N 3Å; D766-N769 PolarHBondContact OD1-ND2 2.85Å; D766-N769 WeakPolarHBondContact OD2-CB 3.44Å; D766-N769 PolarHBondContact OD2-ND2 2.82Å; D766-H770 PolarHBondContact O-N 3.41Å; D766-R771 HydrophobicContact CB-CG 3.77Å; D766-R771 WeakPolarHBondContact CB-O 3.43Å; D766-R771 PolarHBondContact N-O 2.81Å; D766-R771 PolarHBondContact O-N 3.22Å; D766-R771 IonicContact OD2-CZ 2.74Å; D766-R771 IonicContact OD2-NE 3.81Å; D766-R771 PolarHBondContact OD2-NE 3.28Å; D766-R771 IonicContact OD2-NH2 2.93Å; D766-R771 PolarHBondContact OD2-NH2 3.15Å; D766-R771 VanDerWaalsContact OD2-NH2 3.12Å; D766-Q773 PolarHBondContact OD2-NE2 3.02Å
767	K	97.4	Very high	95.3	Very high	37 Å²	37	28.4 Å²	28.4	16%	0.161	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-48.8	-52.3	-161.4	179	-172.2	161.2	-78.6	0	113.1	N750 W752 C765 N769 H770 H797 H799	N750-K767 VanDerWaalsContact O-CB 3.29Å; N750-K767 WeakPolarHBondContact O-CB 3.25Å; W752-K767 HydrophobicContact CB-CB 4.3Å; W752-K767 HydrophobicContact CD2-CD 4.3Å; W752-K767 HydrophobicContact CE3-CD 3.49Å; W752-K767 VanDerWaalsContact CE3-CD 3.49Å; W752-K767 HydrophobicContact CZ3-CD 3.85Å; C765-K767 PolarHBondContact O-N 2.83Å; K767-N769 VanDerWaalsContact C-N 3.32Å; K767-H770 PolarHBondContact O-N 3.29Å; K767-H770 PolarHBondContact O-ND1 3Å; K767-H797 HydrophobicContact CG-CB 4Å; K767-H797 WeakPolarHBondContact O-CA 3.29Å; K767-H799 WeakPolarHBondContact CD-NE2 3.46Å; K767-H799 WeakPolarHBondContact CE-NE2 3.43Å
768	D	95.7	Very high	95.1	Very high	39 Å²	39	32.1 Å²	32.1	21%	0.209	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-89.1	-2.6	-172.8	-65	-12.8	0	0	0	112.9	N749 N750 D766 H797	N749-D768 HydrophobicContact CB-CB 4.08Å; N749-D768 WeakPolarHBondContact ND2-CB 3.46Å; N749-D768 PolarHBondContact O-N 2.76Å; N750-D768 VanDerWaalsContact CB-OD2 3.31Å; N750-D768 WeakPolarHBondContact CB-OD2 3.45Å; N750-D768 PolarHBondContact ND2-OD2 2.95Å; D766-D768 PolarHBondContact O-N 2.96Å; D768-H797 IonicContact OD1-CD2 3.22Å; D768-H797 PolarHBondContact OD1-CD2 2.93Å; D768-H797 IonicContact OD1-NE2 3.47Å
769	N	96.9	Very high	95.2	Very high	21 Å²	21	26.6 Å²	26.6	11%	0.112	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-100.2	3.6	164.7	-69.8	-31.9	0	0	0	112.1	G742 Q743 N749 D766 K767 R771	G742-N769 PolarHBondContact O-ND2 3.24Å; Q743-N769 WeakPolarHBondContact CG-OD1 3.32Å; N749-N769 WeakPolarHBondContact CB-ND2 3.47Å; N749-N769 WeakPolarHBondContact CB-OD1 3.48Å; N749-N769 PolarHBondContact N-ND2 3.48Å; D766-N769 HydrophobicContact CB-CB 4.3Å; D766-N769 VanDerWaalsContact CG-ND2 3.28Å; D766-N769 CarbonylContact O-C 3.52Å; D766-N769 PolarHBondContact O-N 3Å; D766-N769 PolarHBondContact OD1-ND2 2.85Å; D766-N769 WeakPolarHBondContact OD2-CB 3.44Å; D766-N769 PolarHBondContact OD2-ND2 2.82Å; K767-N769 VanDerWaalsContact C-N 3.32Å; N769-R771 VanDerWaalsContact C-N 3.29Å; N769-R771 HydrophobicContact CB-CG 3.97Å; N769-R771 PolarHBondContact O-N 2.89Å
770	H	97.8	Very high	95.4	Very high	30 Å²	30	24.2 Å²	24.2	14%	0.139	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	40.6	174.7	-48.1	-57.4	0	0	0	114.5	D766 K767 G786 D787 L788 H797	D766-H770 PolarHBondContact O-N 3.41Å; K767-H770 PolarHBondContact O-N 3.29Å; K767-H770 PolarHBondContact O-ND1 3Å; H770-G786 CarbonylContact O-C 3.48Å; H770-D787 CarbonylContact O-C 3.56Å; H770-D787 WeakPolarHBondContact O-CA 3.47Å; H770-D787 PolarHBondContact O-N 3.42Å; H770-L788 HydrophobicContact CB-CB 4.03Å; H770-L788 HydrophobicContact CB-CD1 4.38Å; H770-H797 AromaticContact CE1-CD2 3.54Å; H770-H797 AromaticContact CE1-CE1 3.72Å; H770-H797 AromaticContact CE1-CG 3.93Å; H770-H797 AromaticContact CE1-NE2 3.44Å; H770-H797 PolarHBondContact CE1-NE2 2.76Å; H770-H797 AromaticContact ND1-CD2 3.88Å; H770-H797 PolarHBondContact ND1-N 3.15Å
771	R	97.6	Very high	95.4	Very high	9 Å²	9	27.2 Å²	27.2	3%	0.034	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	169.4	-174	68.3	-174.2	-176.1	-176.1	5.1	112.2	Q743 T744 R747 D766 N769 G786	Q743-R771 VanDerWaalsContact O-CZ 3.26Å; Q743-R771 PolarHBondContact O-NH1 2.83Å; Q743-R771 PolarHBondContact O-NH2 3.36Å; Q743-R771 VanDerWaalsContact O-NH2 3.09Å; T744-R771 PolarHBondContact O-NH2 3.33Å; R747-R771 PolarHBondContact O-NH2 3.32Å; D766-R771 HydrophobicContact CB-CG 3.77Å; D766-R771 WeakPolarHBondContact CB-O 3.43Å; D766-R771 PolarHBondContact N-O 2.81Å; D766-R771 PolarHBondContact O-N 3.22Å; D766-R771 IonicContact OD2-CZ 2.74Å; D766-R771 IonicContact OD2-NE 3.81Å; D766-R771 PolarHBondContact OD2-NE 3.28Å; D766-R771 IonicContact OD2-NH2 2.93Å; D766-R771 PolarHBondContact OD2-NH2 3.15Å; D766-R771 VanDerWaalsContact OD2-NH2 3.12Å; N769-R771 VanDerWaalsContact C-N 3.29Å; N769-R771 HydrophobicContact CB-CG 3.97Å; N769-R771 PolarHBondContact O-N 2.89Å; R771-G786 VanDerWaalsContact CB-O 3.23Å; R771-G786 WeakPolarHBondContact CB-O 3.36Å
772	V	98.6	Very high	95.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	131.8	167	179.5	0	0	0	0	108.8	V764 K784 F785 F795 I801 V811	V764-V772 WeakPolarHBondContact O-CA 3.16Å; V772-K784 VanDerWaalsContact O-CA 3.22Å; V772-K784 WeakPolarHBondContact O-CA 3.4Å; V772-K784 WeakPolarHBondContact O-CB 3.28Å; V772-F785 HydrophobicContact CB-CD1 4.32Å; V772-F785 HydrophobicContact CB-CD2 4.35Å; V772-F785 HydrophobicContact CB-CE1 3.83Å; V772-F785 HydrophobicContact CB-CE2 3.86Å; V772-F785 HydrophobicContact CB-CZ 3.58Å; V772-F785 HydrophobicContact CG1-CE1 3.71Å; V772-F785 HydrophobicContact CG1-CE2 4.39Å; V772-F785 HydrophobicContact CG1-CZ 3.62Å; V772-F785 HydrophobicContact CG2-CE2 4.02Å; V772-F785 HydrophobicContact CG2-CZ 4.03Å; V772-F785 PolarHBondContact N-O 3.05Å; V772-F785 PolarHBondContact O-N 3.31Å; V772-F795 HydrophobicContact CG2-CE2 4.04Å; V772-F795 HydrophobicContact CG2-CZ 4.25Å; V772-I801 HydrophobicContact CG1-CD1 3.72Å; V772-I801 HydrophobicContact CG2-CD1 4.39Å; V772-V811 HydrophobicContact CG2-CG1 4.19Å; V772-V811 HydrophobicContact CG2-CG2 4.31Å
773	Q	97.6	Very high	95.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	143.1	173.8	-67.9	-166.5	76.6	0	0	111.3	R747 F748 Y763 V764 D766 Y781 K784	R747-Q773 PolarHBondContact O-NE2 2.92Å; F748-Q773 HydrophobicContact CE1-CB 4.07Å; F748-Q773 HydrophobicContact CE1-CG 4.35Å; F748-Q773 VanDerWaalsContact CE1-NE2 3.34Å; F748-Q773 HydrophobicContact CZ-CB 4.49Å; Y763-Q773 WeakPolarHBondContact CA-O 3.44Å; V764-Q773 PolarHBondContact N-O 2.89Å; V764-Q773 PolarHBondContact O-N 2.67Å; D766-Q773 PolarHBondContact OD2-NE2 3.02Å; Q773-Y781 HydrophobicContact CG-CE2 4.45Å; Q773-K784 HydrophobicContact CG-CB 4.17Å
774	I	97.1	Very high	95.1	Very high	14 Å²	14	32.7 Å²	32.7	7%	0.072	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.4	178.4	-46.1	178.4	0	0	0	107.6	F761 I762 Y763 V782 G783 F785	F761-I774 HydrophobicContact CB-CG2 4.31Å; F761-I774 HydrophobicContact CD1-CG2 3.99Å; I762-I774 WeakPolarHBondContact O-CA 3.45Å; Y763-I774 HydrophobicContact CD1-CB 4.37Å; Y763-I774 HydrophobicContact CD1-CD1 4.35Å; Y763-I774 HydrophobicContact CD1-CG1 3.82Å; Y763-I774 HydrophobicContact CD1-CG2 4.08Å; Y763-I774 HydrophobicContact CE1-CB 4.39Å; Y763-I774 HydrophobicContact CE1-CD1 4.03Å; Y763-I774 HydrophobicContact CE1-CG1 3.93Å; Y763-I774 HydrophobicContact CE1-CG2 3.73Å; I774-V782 HydrophobicContact CB-CB 4.32Å; I774-V782 HydrophobicContact CG2-CB 4.14Å; I774-V782 HydrophobicContact CG2-CG1 4.38Å; I774-V782 WeakPolarHBondContact O-CB 3.45Å; I774-V782 PolarHBondContact O-N 3.25Å; I774-G783 PolarHBondContact N-O 3.48Å; I774-G783 PolarHBondContact O-N 2.71Å; I774-F785 HydrophobicContact CD1-CD1 4.1Å; I774-F785 HydrophobicContact CD1-CE1 4.16Å; I774-F785 HydrophobicContact CG1-CD1 4.35Å; I774-F785 HydrophobicContact CG1-CE1 4.23Å
775	L	96.2	Very high	95.1	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	155.2	177.8	-52.6	179.4	0	0	0	110.2	I725 F738 F748 F761 I762 S780 Y781	I725-L775 HydrophobicContact CD1-CD1 4.37Å; F738-L775 HydrophobicContact CD2-CD1 3.56Å; F738-L775 HydrophobicContact CE2-CD1 3.51Å; F748-L775 HydrophobicContact CE2-CD1 4.43Å; F748-L775 HydrophobicContact CZ-CD1 3.94Å; F761-L775 CarbonylContact C-O 3.56Å; F761-L775 WeakPolarHBondContact CA-O 3.27Å; I762-L775 HydrophobicContact CB-CB 4.32Å; I762-L775 PolarHBondContact N-O 2.93Å; I762-L775 PolarHBondContact O-N 2.87Å; L775-S780 CarbonylContact C-O 3.54Å; L775-S780 VanDerWaalsContact CA-O 3.25Å; L775-S780 WeakPolarHBondContact CA-O 3.35Å; L775-Y781 HydrophobicContact CD2-CD2 4.19Å
776	Q	94.3	Very high	94.9	Very high	92 Å²	92	34.1 Å²	34.1	43%	0.43	19%	0.189	S	C	.	.			trans	-76.4	166.5	163.5	-58	-170.9	67.9	0	0	110.3	F761 D778 G779 S780 V782	F761-Q776 HydrophobicContact CE1-CG 4.26Å; Q776-D778 WeakPolarHBondContact CB-OD1 3.47Å; Q776-D778 PolarHBondContact O-N 3.35Å; Q776-G779 PolarHBondContact O-N 2.89Å; Q776-S780 WeakPolarHBondContact CB-OG 3.34Å; Q776-S780 WeakPolarHBondContact CG-OG 3.25Å; Q776-S780 PolarHBondContact N-O 3.1Å; Q776-S780 PolarHBondContact NE2-OG 2.92Å; Q776-V782 HydrophobicContact CB-CG2 4.4Å; Q776-V782 HydrophobicContact CG-CG2 3.36Å
777	A	91.4	Very high	94.7	Very high	57 Å²	57	38.9 Å²	38.9	47%	0.471	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-22.5	175.5	0	0	0	0	0	114	G760 G779	G760-A777 PolarHBondContact O-N 2.98Å; A777-G779 VanDerWaalsContact C-N 3.33Å
778	D	88.5	Confident	94.7	Very high	83 Å²	83	42 Å²	42	44%	0.444	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-6.5	176.3	71.7	-8.3	0	0	0	114.9	Q776 S780	Q776-D778 WeakPolarHBondContact CB-OD1 3.47Å; Q776-D778 PolarHBondContact O-N 3.35Å; D778-S780 WeakPolarHBondContact OD1-CB 3.06Å; D778-S780 PolarHBondContact OD1-N 2.86Å; D778-S780 PolarHBondContact OD1-OG 3.28Å
779	G	89.1	Confident	94.5	Very high	15 Å²	15	41 Å²	41	16%	0.155	23%	0.231	C	C	.	.	S	Bend	trans	91.5	-1.8	-176.1	0	0	0	0	0	114.2	Q776 A777	Q776-G779 PolarHBondContact O-N 2.89Å; A777-G779 VanDerWaalsContact C-N 3.33Å
780	S	90.3	Very high	94.4	Very high	38 Å²	38	43.4 Å²	43.4	27%	0.266	25%	0.25	S	C	.	.			trans	-67.5	139.1	175.8	62.6	0	0	0	0	111.4	L775 Q776 D778	L775-S780 CarbonylContact C-O 3.54Å; L775-S780 VanDerWaalsContact CA-O 3.25Å; L775-S780 WeakPolarHBondContact CA-O 3.35Å; Q776-S780 WeakPolarHBondContact CB-OG 3.34Å; Q776-S780 WeakPolarHBondContact CG-OG 3.25Å; Q776-S780 PolarHBondContact N-O 3.1Å; Q776-S780 PolarHBondContact NE2-OG 2.92Å; D778-S780 WeakPolarHBondContact OD1-CB 3.06Å; D778-S780 PolarHBondContact OD1-N 2.86Å; D778-S780 PolarHBondContact OD1-OG 3.28Å
781	Y	91.9	Very high	94.3	Very high	77 Å²	77	48.2 Å²	48.2	30%	0.302	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	132.5	-179.1	175.8	-93.1	0	0	0	111.5	N745 Q773 L775 G783 K784	N745-Y781 HydrophobicContact CB-CD1 3.89Å; N745-Y781 HydrophobicContact CB-CD2 3.88Å; N745-Y781 HydrophobicContact CB-CE1 3.74Å; N745-Y781 HydrophobicContact CB-CE2 3.73Å; N745-Y781 HydrophobicContact CB-CG 3.94Å; N745-Y781 VanDerWaalsContact CG-CZ 3.41Å; N745-Y781 WeakPolarHBondContact ND2-CE1 3.25Å; Q773-Y781 HydrophobicContact CG-CE2 4.45Å; L775-Y781 HydrophobicContact CD2-CD2 4.19Å; Y781-G783 WeakPolarHBondContact CE2-O 3.43Å; Y781-G783 VanDerWaalsContact CZ-CA 3.46Å; Y781-G783 WeakPolarHBondContact OH-CA 3.49Å; Y781-K784 HydrophobicContact CE2-CB 4.28Å; Y781-K784 WeakPolarHBondContact OH-CB 3.22Å; Y781-K784 VanDerWaalsContact OH-CG 3.27Å; Y781-K784 WeakPolarHBondContact OH-CG 3.49Å; Y781-K784 PolarHBondContact OH-N 3.4Å; Y781-K784 VanDerWaalsContact OH-N 3.15Å
782	V	93.3	Very high	94.1	Very high	69 Å²	69	54.3 Å²	54.3	42%	0.418	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-45.9	178.6	179.9	0	0	0	0	110.7	F761 I774 Q776	F761-V782 HydrophobicContact CD1-CG1 4.44Å; F761-V782 HydrophobicContact CD1-CG2 4.03Å; F761-V782 HydrophobicContact CE1-CB 4.45Å; F761-V782 HydrophobicContact CE1-CG1 4.01Å; F761-V782 HydrophobicContact CE1-CG2 3.81Å; I774-V782 HydrophobicContact CB-CB 4.32Å; I774-V782 HydrophobicContact CG2-CB 4.14Å; I774-V782 HydrophobicContact CG2-CG1 4.38Å; I774-V782 WeakPolarHBondContact O-CB 3.45Å; I774-V782 PolarHBondContact O-N 3.25Å; Q776-V782 HydrophobicContact CB-CG2 4.4Å; Q776-V782 HydrophobicContact CG-CG2 3.36Å
783	G	93.2	Very high	93.9	Very high	17 Å²	17	55.1 Å²	55.1	18%	0.175	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	177.6	-173.5	0	0	0	0	0	112.6	I774 Y781	I774-G783 PolarHBondContact N-O 3.48Å; I774-G783 PolarHBondContact O-N 2.71Å; Y781-G783 WeakPolarHBondContact CE2-O 3.43Å; Y781-G783 VanDerWaalsContact CZ-CA 3.46Å; Y781-G783 WeakPolarHBondContact OH-CA 3.49Å
784	K	96.1	Very high	93.9	Very high	88 Å²	88	57.9 Å²	57.9	38%	0.383	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	157.4	173.4	70.8	-177.7	-179.1	170.4	0	109.6	V772 Q773 Y781	V772-K784 VanDerWaalsContact O-CA 3.22Å; V772-K784 WeakPolarHBondContact O-CA 3.4Å; V772-K784 WeakPolarHBondContact O-CB 3.28Å; Q773-K784 HydrophobicContact CG-CB 4.17Å; Y781-K784 HydrophobicContact CE2-CB 4.28Å; Y781-K784 WeakPolarHBondContact OH-CB 3.22Å; Y781-K784 VanDerWaalsContact OH-CG 3.27Å; Y781-K784 WeakPolarHBondContact OH-CG 3.49Å; Y781-K784 PolarHBondContact OH-N 3.4Å; Y781-K784 VanDerWaalsContact OH-N 3.15Å
785	F	97.5	Very high	93.9	Very high	18 Å²	18	57.2 Å²	57.2	8%	0.079	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	156.4	168.8	61.2	-86.7	0	0	0	110.2	V772 I774 F795 L809 F822	V772-F785 HydrophobicContact CB-CD1 4.32Å; V772-F785 HydrophobicContact CB-CD2 4.35Å; V772-F785 HydrophobicContact CB-CE1 3.83Å; V772-F785 HydrophobicContact CB-CE2 3.86Å; V772-F785 HydrophobicContact CB-CZ 3.58Å; V772-F785 HydrophobicContact CG1-CE1 3.71Å; V772-F785 HydrophobicContact CG1-CE2 4.39Å; V772-F785 HydrophobicContact CG1-CZ 3.62Å; V772-F785 HydrophobicContact CG2-CE2 4.02Å; V772-F785 HydrophobicContact CG2-CZ 4.03Å; V772-F785 PolarHBondContact N-O 3.05Å; V772-F785 PolarHBondContact O-N 3.31Å; I774-F785 HydrophobicContact CD1-CD1 4.1Å; I774-F785 HydrophobicContact CD1-CE1 4.16Å; I774-F785 HydrophobicContact CG1-CD1 4.35Å; I774-F785 HydrophobicContact CG1-CE1 4.23Å; F785-F795 HydrophobicContact CD2-CE2 4.09Å; F785-F795 HydrophobicContact CD2-CZ 4.41Å; F785-F795 HydrophobicContact CE2-CE2 4.14Å; F785-F795 HydrophobicContact CE2-CZ 4.1Å; F785-L809 HydrophobicContact CE1-CD1 3.85Å; F785-L809 HydrophobicContact CZ-CD1 3.77Å; F785-F822 AromaticContact CD2-CD1 3.87Å; F785-F822 HydrophobicContact CD2-CD1 3.87Å; F785-F822 AromaticContact CD2-CE1 3.95Å; F785-F822 HydrophobicContact CD2-CE1 3.95Å; F785-F822 HydrophobicContact CD2-CG 4.21Å; F785-F822 HydrophobicContact CD2-CZ 4.36Å; F785-F822 HydrophobicContact CE2-CB 4.29Å; F785-F822 AromaticContact CE2-CD1 3.87Å; F785-F822 HydrophobicContact CE2-CD1 3.87Å; F785-F822 AromaticContact CE2-CD2 3.83Å; F785-F822 HydrophobicContact CE2-CD2 3.83Å; F785-F822 HydrophobicContact CE2-CE1 4.14Å; F785-F822 HydrophobicContact CE2-CE2 4.1Å; F785-F822 AromaticContact CE2-CG 3.72Å; F785-F822 HydrophobicContact CE2-CG 3.72Å; F785-F822 HydrophobicContact CE2-CZ 4.26Å; F785-F822 HydrophobicContact CZ-CG 4.44Å
786	G	95.1	Very high	93.9	Very high	11 Å²	11	60.5 Å²	60.5	11%	0.113	33%	0.334	C	S	.	.			trans	84	148.3	-173.6	0	0	0	0	0	114	H770 R771 G793	H770-G786 CarbonylContact O-C 3.48Å; R771-G786 VanDerWaalsContact CB-O 3.23Å; R771-G786 WeakPolarHBondContact CB-O 3.36Å; G786-G793 VanDerWaalsContact CA-O 3.24Å; G786-G793 WeakPolarHBondContact CA-O 3.38Å
787	D	93.6	Very high	94.1	Very high	100 Å²	100	58.2 Å²	58.2	54%	0.535	32%	0.323	S	S	.	.			trans	-145.4	170.1	175	-62.8	-60.1	0	0	0	107.8	H770 G789 Q794 F795	H770-D787 CarbonylContact O-C 3.56Å; H770-D787 WeakPolarHBondContact O-CA 3.47Å; H770-D787 PolarHBondContact O-N 3.42Å; D787-G789 PolarHBondContact O-N 3.19Å; D787-Q794 CarbonylContact O-C 3.53Å; D787-Q794 WeakPolarHBondContact O-CA 3.49Å; D787-Q794 WeakPolarHBondContact O-CB 3.3Å; D787-F795 PolarHBondContact O-N 2.83Å
788	L	96.3	Very high	94.4	Very high	104 Å²	104	55.5 Å²	55.5	55%	0.545	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-58.7	127.7	178.3	178.3	58.1	0	0	0	112	H770 F795 Q796	H770-L788 HydrophobicContact CB-CB 4.03Å; H770-L788 HydrophobicContact CB-CD1 4.38Å; L788-F795 WeakPolarHBondContact CA-O 3.42Å; L788-Q796 HydrophobicContact CD1-CG 4.1Å
789	G	93.1	Very high	94.9	Very high	17 Å²	17	52.2 Å²	52.2	18%	0.175	28%	0.283	C	S	.	.	S	Bend	trans	155.9	-174.2	167.9	0	0	0	0	0	113.5	D787 F795 N816	D787-G789 PolarHBondContact O-N 3.19Å; G789-F795 PolarHBondContact N-O 3.47Å; G789-F795 CarbonylContact O-C 3.46Å; G789-F795 VanDerWaalsContact O-C 3.27Å; G789-N816 PolarHBondContact O-ND2 2.95Å
790	S	93.7	Very high	95.3	Very high	72 Å²	72	51.6 Å²	51.6	50%	0.503	28%	0.276	S	S	.	.	S	Bend	trans	-112.1	-3.2	-176.6	57.8	0	0	0	0	113.9	N816 R818	S790-N816 WeakPolarHBondContact CB-OD1 3.29Å; S790-R818 VanDerWaalsContact O-CZ 3.27Å; S790-R818 PolarHBondContact O-NH1 3.21Å; S790-R818 PolarHBondContact O-NH2 3.34Å; S790-R818 VanDerWaalsContact O-NH2 3.12Å
791	H	95.3	Very high	95.7	Very high	131 Å²	131	49.9 Å²	49.9	61%	0.606	26%	0.264	S	S	*	.	S	Bend	trans	-76.1	167.5	177.2	-58.5	84.4	0	0	0	111.6	G793 Q794 R818	H791-G793 PolarHBondContact O-N 3.43Å; H791-Q794 HydrophobicContact CB-CG 4.31Å; H791-Q794 VanDerWaalsContact CB-OE1 3.31Å; H791-Q794 VanDerWaalsContact N-OE1 3.13Å; H791-Q794 PolarHBondContact ND1-OE1 3.17Å; H791-Q794 WeakPolarHBondContact O-CB 3.27Å; H791-Q794 PolarHBondContact O-N 3.34Å; H791-R818 PolarHBondContact O-NH2 3.35Å
792	E	95	Very high	95.9	Very high	137 Å²	137	47.1 Å²	47.1	64%	0.64	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	131	174.6	-64.2	-179.2	162.8	0	0	111	Q794 F828	E792-Q794 PolarHBondContact O-N 2.85Å; E792-F828 HydrophobicContact CB-CD1 3.91Å; E792-F828 HydrophobicContact CB-CD2 4.22Å; E792-F828 HydrophobicContact CB-CE1 3.7Å; E792-F828 HydrophobicContact CB-CE2 4.01Å; E792-F828 HydrophobicContact CB-CG 4.15Å; E792-F828 HydrophobicContact CB-CZ 3.73Å; E792-F828 HydrophobicContact CG-CD1 4.4Å; E792-F828 HydrophobicContact CG-CE1 3.69Å; E792-F828 HydrophobicContact CG-CE2 4.27Å; E792-F828 HydrophobicContact CG-CZ 3.59Å; E792-F828 WeakPolarHBondContact OE2-CE1 3.38Å
793	G	93.4	Very high	96	Very high	17 Å²	17	45.1 Å²	45.1	18%	0.175	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	-11.1	-176.4	0	0	0	0	0	115.5	G786 H791	G786-G793 VanDerWaalsContact CA-O 3.24Å; G786-G793 WeakPolarHBondContact CA-O 3.38Å; H791-G793 PolarHBondContact O-N 3.43Å
794	Q	96.6	Very high	95.9	Very high	58 Å²	58	45 Å²	45	27%	0.271	24%	0.239	S	C	.	.			trans	-87.6	154.3	167.6	-62.8	-179	-31.5	0	0	110.4	D787 H791 E792 R818 Q820	D787-Q794 CarbonylContact O-C 3.53Å; D787-Q794 WeakPolarHBondContact O-CA 3.49Å; D787-Q794 WeakPolarHBondContact O-CB 3.3Å; H791-Q794 HydrophobicContact CB-CG 4.31Å; H791-Q794 VanDerWaalsContact CB-OE1 3.31Å; H791-Q794 VanDerWaalsContact N-OE1 3.13Å; H791-Q794 PolarHBondContact ND1-OE1 3.17Å; H791-Q794 WeakPolarHBondContact O-CB 3.27Å; H791-Q794 PolarHBondContact O-N 3.34Å; E792-Q794 PolarHBondContact O-N 2.85Å; Q794-R818 PolarHBondContact O-NH2 2.83Å; Q794-Q820 PolarHBondContact O-NE2 3.36Å
795	F	98.1	Very high	95.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-125.2	157.1	177.5	-61.5	-72.3	0	0	0	112.1	V772 F785 D787 L788 G789 P798 V811 D813 Q820 F822	V772-F795 HydrophobicContact CG2-CE2 4.04Å; V772-F795 HydrophobicContact CG2-CZ 4.25Å; F785-F795 HydrophobicContact CD2-CE2 4.09Å; F785-F795 HydrophobicContact CD2-CZ 4.41Å; F785-F795 HydrophobicContact CE2-CE2 4.14Å; F785-F795 HydrophobicContact CE2-CZ 4.1Å; D787-F795 PolarHBondContact O-N 2.83Å; L788-F795 WeakPolarHBondContact CA-O 3.42Å; G789-F795 PolarHBondContact N-O 3.47Å; G789-F795 CarbonylContact O-C 3.46Å; G789-F795 VanDerWaalsContact O-C 3.27Å; F795-P798 HydrophobicContact CB-CB 4.22Å; F795-P798 HydrophobicContact CB-CG 4.01Å; F795-P798 HydrophobicContact CD1-CB 4.14Å; F795-P798 HydrophobicContact CD2-CG 4.48Å; F795-P798 HydrophobicContact CG-CB 4.11Å; F795-P798 HydrophobicContact CG-CG 4.19Å; F795-V811 HydrophobicContact CD1-CG1 4.34Å; F795-V811 HydrophobicContact CE1-CB 3.9Å; F795-V811 HydrophobicContact CE1-CG1 3.63Å; F795-V811 HydrophobicContact CZ-CB 4.11Å; F795-V811 HydrophobicContact CZ-CG1 3.91Å; F795-V811 HydrophobicContact CZ-CG2 4.23Å; F795-D813 WeakPolarHBondContact CA-OD1 3.47Å; F795-D813 HydrophobicContact CD1-CB 3.95Å; F795-Q820 HydrophobicContact CE1-CB 4.27Å; F795-F822 AromaticContact CE1-CE2 3.78Å; F795-F822 HydrophobicContact CE1-CE2 3.78Å; F795-F822 AromaticContact CE1-CZ 3.89Å; F795-F822 HydrophobicContact CE1-CZ 3.89Å; F795-F822 HydrophobicContact CE2-CE2 4.41Å; F795-F822 HydrophobicContact CE2-CZ 4.09Å; F795-F822 HydrophobicContact CZ-CD2 4.36Å; F795-F822 HydrophobicContact CZ-CE1 4.35Å; F795-F822 AromaticContact CZ-CE2 3.33Å; F795-F822 HydrophobicContact CZ-CE2 3.33Å; F795-F822 AromaticContact CZ-CZ 3.33Å; F795-F822 HydrophobicContact CZ-CZ 3.33Å
796	Q	97	Very high	95	Very high	69 Å²	69	50.4 Å²	50.4	32%	0.322	26%	0.26	S	S	.	.	S	Bend	trans	-129.7	101.6	163.9	-163.5	-179.9	-2.1	0	0	108.6	L788 D813 N815 N816	L788-Q796 HydrophobicContact CD1-CG 4.1Å; Q796-D813 PolarHBondContact N-OD1 3.28Å; Q796-N815 HydrophobicContact CB-CB 3.94Å; Q796-N815 HydrophobicContact CG-CB 3.72Å; Q796-N815 WeakPolarHBondContact O-CB 3.3Å; Q796-N815 PolarHBondContact O-N 3.06Å; Q796-N815 VanDerWaalsContact O-N 3.11Å; Q796-N816 PolarHBondContact N-ND2 3.25Å; Q796-N816 PolarHBondContact OE1-OD1 3.46Å
797	H	97.4	Very high	94.8	Very high	45 Å²	45	52 Å²	52	21%	0.208	27%	0.265	C	S	.	.	S	Bend	trans	53.3	72.4	-173.7	-58.3	109.1	0	0	0	113.1	K767 D768 H770 H799 T814 N815	K767-H797 HydrophobicContact CG-CB 4Å; K767-H797 WeakPolarHBondContact O-CA 3.29Å; D768-H797 IonicContact OD1-CD2 3.22Å; D768-H797 PolarHBondContact OD1-CD2 2.93Å; D768-H797 IonicContact OD1-NE2 3.47Å; H770-H797 AromaticContact CE1-CD2 3.54Å; H770-H797 AromaticContact CE1-CE1 3.72Å; H770-H797 AromaticContact CE1-CG 3.93Å; H770-H797 AromaticContact CE1-NE2 3.44Å; H770-H797 PolarHBondContact CE1-NE2 2.76Å; H770-H797 AromaticContact ND1-CD2 3.88Å; H770-H797 PolarHBondContact ND1-N 3.15Å; H797-H799 PolarHBondContact O-CD2 2.93Å; H797-H799 VanDerWaalsContact O-CD2 3.23Å; H797-H799 PolarHBondContact O-N 2.86Å; H797-T814 VanDerWaalsContact O-CB 3.31Å; H797-T814 WeakPolarHBondContact O-CB 3.33Å; H797-T814 PolarHBondContact O-OG1 3.11Å; H797-N815 PolarHBondContact ND1-ND2 3.16Å
798	P	98.2	Very high	94.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	126.9	173.2	28.5	-31.8	0	0	0	109.7	C765 F795 V811 S812	C765-P798 HydrophobicContact CB-CB 4.42Å; F795-P798 HydrophobicContact CB-CB 4.22Å; F795-P798 HydrophobicContact CB-CG 4.01Å; F795-P798 HydrophobicContact CD1-CB 4.14Å; F795-P798 HydrophobicContact CD2-CG 4.48Å; F795-P798 HydrophobicContact CG-CB 4.11Å; F795-P798 HydrophobicContact CG-CG 4.19Å; P798-V811 HydrophobicContact CB-CG1 3.95Å; P798-S812 VanDerWaalsContact CA-O 3.27Å; P798-S812 WeakPolarHBondContact CA-O 3.43Å
799	H	97.7	Very high	94.9	Very high	14 Å²	14	42.8 Å²	42.8	7%	0.065	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-61	-176.2	-87.4	-137.6	0	0	0	112.3	W752 G753 K767 H797 S812 T814	W752-H799 WeakPolarHBondContact CB-O 3.31Å; W752-H799 AromaticContact CE2-ND1 3.61Å; W752-H799 HydrophobicContact CG-CB 4.48Å; W752-H799 AromaticContact CH2-CE1 3.96Å; W752-H799 AromaticContact CZ2-CE1 3.86Å; W752-H799 AromaticContact CZ2-ND1 3.75Å; W752-H799 AromaticContact NE1-ND1 3.85Å; G753-H799 WeakPolarHBondContact CA-O 3.34Å; G753-H799 PolarHBondContact N-O 2.83Å; K767-H799 WeakPolarHBondContact CD-NE2 3.46Å; K767-H799 WeakPolarHBondContact CE-NE2 3.43Å; H797-H799 PolarHBondContact O-CD2 2.93Å; H797-H799 VanDerWaalsContact O-CD2 3.23Å; H797-H799 PolarHBondContact O-N 2.86Å; H799-S812 PolarHBondContact N-O 3.16Å; H799-S812 VanDerWaalsContact N-O 3.12Å; H799-T814 VanDerWaalsContact CB-OG1 3.25Å; H799-T814 WeakPolarHBondContact CB-OG1 3.35Å; H799-T814 PolarHBondContact CD2-OG1 3.49Å
800	F	98.4	Very high	95.1	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.009	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	155.7	-176.1	-71.8	-91.5	0	0	0	111.9	W752 V811 S812 K846 V848 E893 D894	W752-F800 AromaticContact CD1-CE2 3.7Å; W752-F800 AromaticContact CD1-CZ 3.79Å; W752-F800 AromaticContact NE1-CD2 4Å; W752-F800 AromaticContact NE1-CE2 3.25Å; W752-F800 VanDerWaalsContact NE1-CE2 3.25Å; W752-F800 AromaticContact NE1-CZ 3.42Å; F800-V811 WeakPolarHBondContact O-CA 3.06Å; F800-S812 WeakPolarHBondContact CA-OG 3.29Å; F800-S812 PolarHBondContact N-OG 3Å; F800-S812 PolarHBondContact O-N 2.74Å; F800-S812 PolarHBondContact O-OG 3.15Å; F800-K846 WeakPolarHBondContact CB-O 3.37Å; F800-K846 HydrophobicContact CD2-CB 3.98Å; F800-K846 HydrophobicContact CE2-CB 4.08Å; F800-V848 HydrophobicContact CB-CG2 3.99Å; F800-E893 WeakPolarHBondContact CE2-O 3.44Å; F800-D894 HydrophobicContact CD1-CB 4.47Å; F800-D894 HydrophobicContact CE1-CB 3.71Å; F800-D894 WeakPolarHBondContact CE1-OD2 3.2Å; F800-D894 HydrophobicContact CZ-CB 3.75Å
801	I	98.2	Very high	95.4	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	142	178.5	-177.8	166.1	0	0	0	108.8	T755 C765 V772 L809 I810 V811	T755-I801 WeakPolarHBondContact CB-O 3.39Å; T755-I801 HydrophobicContact CG2-CB 4.42Å; T755-I801 HydrophobicContact CG2-CD1 4.44Å; T755-I801 HydrophobicContact CG2-CG1 3.9Å; T755-I801 HydrophobicContact CG2-CG2 3.98Å; C765-I801 VanDerWaalsContact SG-CB 3.59Å; C765-I801 VanDerWaalsContact SG-CG2 3.6Å; V772-I801 HydrophobicContact CG1-CD1 3.72Å; V772-I801 HydrophobicContact CG2-CD1 4.39Å; I801-L809 HydrophobicContact CD1-CB 4.31Å; I801-I810 CarbonylContact C-O 3.58Å; I801-I810 VanDerWaalsContact CA-O 3.3Å; I801-I810 WeakPolarHBondContact CA-O 3.45Å; I801-V811 HydrophobicContact CB-CG2 4.38Å; I801-V811 HydrophobicContact CD1-CG2 3.76Å; I801-V811 HydrophobicContact CG1-CG2 3.9Å
802	T	97.1	Very high	95.5	Very high	18 Å²	18	32.4 Å²	32.4	11%	0.11	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	157.9	170.6	-169.8	0	0	0	0	110.1	I810 V848 V850	T802-I810 HydrophobicContact CG2-CB 3.99Å; T802-I810 HydrophobicContact CG2-CD1 4.43Å; T802-I810 PolarHBondContact N-O 3.41Å; T802-I810 PolarHBondContact O-N 3.33Å; T802-V848 HydrophobicContact CG2-CB 4.21Å; T802-V848 HydrophobicContact CG2-CG2 3.93Å; T802-V850 HydrophobicContact CG2-CG2 3.8Å
803	S	94.9	Very high	95.7	Very high	27 Å²	27	25.9 Å²	25.9	19%	0.189	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	144.6	174.1	65.2	0	0	0	0	109.9	Q808	S803-Q808 WeakPolarHBondContact CA-O 3.45Å
804	N	92	Very high	95.9	Very high	15 Å²	15	25.2 Å²	25.2	8%	0.08	12%	0.118	C	C	.	.			trans	-103.7	178.3	176.1	76.3	-4	0	0	0	112.4	H806 N807 Q808 V850 E854	N804-H806 PolarHBondContact O-N 3.35Å; N804-H806 WeakPolarHBondContact OD1-CA 3.23Å; N804-H806 PolarHBondContact OD1-N 3.28Å; N804-H806 VanDerWaalsContact OD1-N 3.1Å; N804-N807 PolarHBondContact O-N 2.8Å; N804-N807 PolarHBondContact OD1-N 2.91Å; N804-Q808 PolarHBondContact N-O 3.29Å; N804-Q808 VanDerWaalsContact N-O 3.1Å; N804-Q808 PolarHBondContact ND2-OE1 2.82Å; N804-Q808 WeakPolarHBondContact OD1-CA 3.46Å; N804-Q808 WeakPolarHBondContact OD1-CB 3.32Å; N804-Q808 PolarHBondContact OD1-N 3.3Å; N804-Q808 PolarHBondContact OD1-O 2.99Å; N804-V850 HydrophobicContact CB-CG1 4.08Å; N804-V850 HydrophobicContact CB-CG2 4.48Å; N804-E854 WeakPolarHBondContact CB-OE2 3.4Å; N804-E854 PolarHBondContact ND2-OE2 3.01Å
805	R	87.1	Confident	95.9	Very high	146 Å²	146	24.8 Å²	24.8	55%	0.551	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.2	-178.3	-67.4	178.1	171.7	167.5	-4	113.3	N807 E852 E854	R805-N807 VanDerWaalsContact C-N 3.29Å; R805-E852 PolarHBondContact NH1-O 2.87Å; R805-E852 VanDerWaalsContact NH2-CG 3.3Å; R805-E852 IonicContact NH2-OE1 3.71Å; R805-E852 IonicContact NH2-OE2 3.47Å; R805-E852 PolarHBondContact NH2-OE2 2.79Å; R805-E854 PolarHBondContact N-OE1 3.45Å
806	H	87.7	Confident	95.8	Very high	74 Å²	74	26 Å²	26	34%	0.343	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	7.6	175	-58.1	151.4	0	0	0	113.3	Y622 N804 Q808	Y622-H806 HydrophobicContact CE1-CB 4.24Å; N804-H806 PolarHBondContact O-N 3.35Å; N804-H806 WeakPolarHBondContact OD1-CA 3.23Å; N804-H806 PolarHBondContact OD1-N 3.28Å; N804-H806 VanDerWaalsContact OD1-N 3.1Å; H806-Q808 HydrophobicContact CB-CG 4.17Å; H806-Q808 PolarHBondContact O-N 3.26Å
807	N	89.4	Confident	95.9	Very high	43 Å²	43	23.4 Å²	23.4	23%	0.23	11%	0.112	C	C	.	.			trans	57.8	29.7	-174.2	-57.7	-43.8	0	0	0	113.7	Q759 N804 R805 R824	Q759-N807 PolarHBondContact NE2-ND2 3.39Å; N804-N807 PolarHBondContact O-N 2.8Å; N804-N807 PolarHBondContact OD1-N 2.91Å; R805-N807 VanDerWaalsContact C-N 3.29Å; N807-R824 HydrophobicContact CB-CB 4.22Å; N807-R824 HydrophobicContact CB-CG 4.43Å; N807-R824 PolarHBondContact O-N 3.08Å
808	Q	95	Very high	95.9	Very high	11 Å²	11	22.6 Å²	22.6	5%	0.051	11%	0.107	C	C	.	.			trans	-83.6	135.6	167.6	-55.5	178.2	-61	0	0	108.7	Y624 S803 N804 H806 V821 F822 L829	Y624-Q808 PolarHBondContact OH-NE2 3.16Å; Y624-Q808 PolarHBondContact OH-OE1 3.23Å; Y624-Q808 VanDerWaalsContact OH-OE1 3.12Å; S803-Q808 WeakPolarHBondContact CA-O 3.45Å; N804-Q808 PolarHBondContact N-O 3.29Å; N804-Q808 VanDerWaalsContact N-O 3.1Å; N804-Q808 PolarHBondContact ND2-OE1 2.82Å; N804-Q808 WeakPolarHBondContact OD1-CA 3.46Å; N804-Q808 WeakPolarHBondContact OD1-CB 3.32Å; N804-Q808 PolarHBondContact OD1-N 3.3Å; N804-Q808 PolarHBondContact OD1-O 2.99Å; H806-Q808 HydrophobicContact CB-CG 4.17Å; H806-Q808 PolarHBondContact O-N 3.26Å; Q808-V821 HydrophobicContact CB-CG1 4.02Å; Q808-F822 CarbonylContact C-O 3.54Å; Q808-F822 VanDerWaalsContact CA-O 3.23Å; Q808-F822 WeakPolarHBondContact CA-O 3.41Å; Q808-L829 HydrophobicContact CG-CD1 4.12Å
809	L	97.5	Very high	95.9	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.2	178.4	-56.6	174.1	0	0	0	108.5	Y763 F785 I801 V821 F822	Y763-L809 HydrophobicContact CD1-CD1 3.47Å; Y763-L809 VanDerWaalsContact CD1-CD1 3.47Å; Y763-L809 HydrophobicContact CD1-CD2 3.93Å; Y763-L809 HydrophobicContact CD1-CG 4.36Å; Y763-L809 HydrophobicContact CD2-CD2 3.96Å; Y763-L809 HydrophobicContact CE1-CD1 3.46Å; Y763-L809 VanDerWaalsContact CE1-CD1 3.46Å; Y763-L809 HydrophobicContact CE1-CD2 3.94Å; Y763-L809 HydrophobicContact CE1-CG 4.3Å; Y763-L809 HydrophobicContact CE2-CD2 3.98Å; Y763-L809 HydrophobicContact CG-CD1 4.27Å; Y763-L809 HydrophobicContact CG-CD2 3.95Å; F785-L809 HydrophobicContact CE1-CD1 3.85Å; F785-L809 HydrophobicContact CZ-CD1 3.77Å; I801-L809 HydrophobicContact CD1-CB 4.31Å; L809-V821 CarbonylContact O-C 3.45Å; L809-V821 WeakPolarHBondContact O-CA 3.34Å; L809-F822 HydrophobicContact CB-CB 4.29Å; L809-F822 PolarHBondContact N-O 3.05Å; L809-F822 PolarHBondContact O-N 3.46Å
810	I	98.3	Very high	95.9	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.4	-179.6	-62.5	153.1	0	0	0	107.2	I801 T802 I819 V821 V850 I856	I801-I810 CarbonylContact C-O 3.58Å; I801-I810 VanDerWaalsContact CA-O 3.3Å; I801-I810 WeakPolarHBondContact CA-O 3.45Å; T802-I810 HydrophobicContact CG2-CB 3.99Å; T802-I810 HydrophobicContact CG2-CD1 4.43Å; T802-I810 PolarHBondContact N-O 3.41Å; T802-I810 PolarHBondContact O-N 3.33Å; I810-I819 HydrophobicContact CG2-CG2 3.48Å; I810-I819 VanDerWaalsContact CG2-CG2 3.48Å; I810-V821 HydrophobicContact CG1-CG1 4Å; I810-V821 HydrophobicContact CG1-CG2 4.04Å; I810-V850 HydrophobicContact CD1-CG2 3.36Å; I810-I856 HydrophobicContact CD1-CD1 4.03Å; I810-I856 HydrophobicContact CD1-CG1 4.18Å; I810-I856 HydrophobicContact CG2-CG2 4.23Å
811	V	98.6	Very high	95.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133	-171.4	-171.1	0	0	0	0	109.6	V772 F795 P798 F800 I801 I819 Q820 F822	V772-V811 HydrophobicContact CG2-CG1 4.19Å; V772-V811 HydrophobicContact CG2-CG2 4.31Å; F795-V811 HydrophobicContact CD1-CG1 4.34Å; F795-V811 HydrophobicContact CE1-CB 3.9Å; F795-V811 HydrophobicContact CE1-CG1 3.63Å; F795-V811 HydrophobicContact CZ-CB 4.11Å; F795-V811 HydrophobicContact CZ-CG1 3.91Å; F795-V811 HydrophobicContact CZ-CG2 4.23Å; P798-V811 HydrophobicContact CB-CG1 3.95Å; F800-V811 WeakPolarHBondContact O-CA 3.06Å; I801-V811 HydrophobicContact CB-CG2 4.38Å; I801-V811 HydrophobicContact CD1-CG2 3.76Å; I801-V811 HydrophobicContact CG1-CG2 3.9Å; V811-I819 WeakPolarHBondContact O-CA 3.41Å; V811-Q820 PolarHBondContact N-O 3.19Å; V811-Q820 PolarHBondContact O-N 2.87Å; V811-F822 HydrophobicContact CB-CE2 4.42Å; V811-F822 HydrophobicContact CG2-CD2 4.04Å; V811-F822 HydrophobicContact CG2-CE2 4.15Å
812	S	98.3	Very high	95.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	116.2	169.6	50.2	0	0	0	0	111.5	P798 H799 F800 T814 K846	P798-S812 VanDerWaalsContact CA-O 3.27Å; P798-S812 WeakPolarHBondContact CA-O 3.43Å; H799-S812 PolarHBondContact N-O 3.16Å; H799-S812 VanDerWaalsContact N-O 3.12Å; F800-S812 WeakPolarHBondContact CA-OG 3.29Å; F800-S812 PolarHBondContact N-OG 3Å; F800-S812 PolarHBondContact O-N 2.74Å; F800-S812 PolarHBondContact O-OG 3.15Å; S812-T814 PolarHBondContact O-N 2.84Å; S812-K846 WeakPolarHBondContact CB-O 3.44Å; S812-K846 PolarHBondContact OG-O 3.26Å
813	D	97.9	Very high	95.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	78	177.7	-170.3	8.6	0	0	0	108.9	F795 Q796 N815 N816 H817 R818 Q820	F795-D813 WeakPolarHBondContact CA-OD1 3.47Å; F795-D813 HydrophobicContact CD1-CB 3.95Å; Q796-D813 PolarHBondContact N-OD1 3.28Å; D813-N815 PolarHBondContact O-N 3.07Å; D813-N816 HydrophobicContact CB-CB 4.43Å; D813-N816 VanDerWaalsContact CG-ND2 3.3Å; D813-N816 CarbonylContact O-C 3.56Å; D813-N816 PolarHBondContact O-N 3.43Å; D813-N816 PolarHBondContact OD1-ND2 2.86Å; D813-N816 VanDerWaalsContact OD1-ND2 3.14Å; D813-N816 WeakPolarHBondContact OD2-CB 3.3Å; D813-N816 PolarHBondContact OD2-ND2 3.45Å; D813-H817 PolarHBondContact O-N 2.83Å; D813-H817 VanDerWaalsContact O-N 3.12Å; D813-R818 HydrophobicContact CB-CG 3.84Å; D813-R818 WeakPolarHBondContact CB-O 3.43Å; D813-R818 PolarHBondContact N-O 3.46Å; D813-R818 PolarHBondContact O-N 2.76Å; D813-R818 IonicContact OD2-CZ 2.81Å; D813-R818 IonicContact OD2-NE 3.12Å; D813-R818 PolarHBondContact OD2-NE 2.91Å; D813-R818 IonicContact OD2-NH2 3.13Å; D813-R818 PolarHBondContact OD2-NH2 3.06Å; D813-R818 VanDerWaalsContact OD2-NH2 3.07Å; D813-Q820 HydrophobicContact CB-CG 4.39Å; D813-Q820 PolarHBondContact OD2-NE2 3.2Å
814	T	97.8	Very high	95.6	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.012	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-56.1	-51	-160.2	-42.5	0	0	0	0	113.3	H797 H799 S812 H817 Y844 P845 K846	H797-T814 VanDerWaalsContact O-CB 3.31Å; H797-T814 WeakPolarHBondContact O-CB 3.33Å; H797-T814 PolarHBondContact O-OG1 3.11Å; H799-T814 VanDerWaalsContact CB-OG1 3.25Å; H799-T814 WeakPolarHBondContact CB-OG1 3.35Å; H799-T814 PolarHBondContact CD2-OG1 3.49Å; S812-T814 PolarHBondContact O-N 2.84Å; T814-H817 PolarHBondContact O-N 2.54Å; T814-H817 PolarHBondContact O-ND1 2.82Å; T814-Y844 HydrophobicContact CG2-CD1 4.29Å; T814-Y844 WeakPolarHBondContact O-CA 3.43Å; T814-P845 WeakPolarHBondContact CG2-O 3.27Å; T814-P845 PolarHBondContact OG1-O 3.38Å; T814-K846 HydrophobicContact CG2-CG 4.17Å
815	N	96.7	Very high	95.4	Very high	50 Å²	50	30.1 Å²	30.1	27%	0.267	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-82.4	-15.5	-175.4	-71.4	22.9	0	0	0	113	Q796 H797 D813 H817	Q796-N815 HydrophobicContact CB-CB 3.94Å; Q796-N815 HydrophobicContact CG-CB 3.72Å; Q796-N815 WeakPolarHBondContact O-CB 3.3Å; Q796-N815 PolarHBondContact O-N 3.06Å; Q796-N815 VanDerWaalsContact O-N 3.11Å; H797-N815 PolarHBondContact ND1-ND2 3.16Å; D813-N815 PolarHBondContact O-N 3.07Å; N815-H817 VanDerWaalsContact C-N 3.27Å
816	N	97.5	Very high	95.6	Very high	26 Å²	26	23.5 Å²	23.5	14%	0.139	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-88.7	4.1	168.3	-71.7	-41.3	0	0	0	112.4	G789 S790 Q796 D813 R818	G789-N816 PolarHBondContact O-ND2 2.95Å; S790-N816 WeakPolarHBondContact CB-OD1 3.29Å; Q796-N816 PolarHBondContact N-ND2 3.25Å; Q796-N816 PolarHBondContact OE1-OD1 3.46Å; D813-N816 HydrophobicContact CB-CB 4.43Å; D813-N816 VanDerWaalsContact CG-ND2 3.3Å; D813-N816 CarbonylContact O-C 3.56Å; D813-N816 PolarHBondContact O-N 3.43Å; D813-N816 PolarHBondContact OD1-ND2 2.86Å; D813-N816 VanDerWaalsContact OD1-ND2 3.14Å; D813-N816 WeakPolarHBondContact OD2-CB 3.3Å; D813-N816 PolarHBondContact OD2-ND2 3.45Å; N816-R818 VanDerWaalsContact C-N 3.27Å; N816-R818 HydrophobicContact CB-CG 4.03Å; N816-R818 PolarHBondContact O-N 3.44Å
817	H	97.9	Very high	95.8	Very high	14 Å²	14	25.7 Å²	25.7	7%	0.065	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	37.3	174.2	-54	-49.6	0	0	0	114.4	D813 T814 N815 G833 T834 E835 Y844	D813-H817 PolarHBondContact O-N 2.83Å; D813-H817 VanDerWaalsContact O-N 3.12Å; T814-H817 PolarHBondContact O-N 2.54Å; T814-H817 PolarHBondContact O-ND1 2.82Å; N815-H817 VanDerWaalsContact C-N 3.27Å; H817-G833 CarbonylContact O-C 3.27Å; H817-T834 CarbonylContact O-C 3.55Å; H817-T834 PolarHBondContact O-N 3.02Å; H817-E835 HydrophobicContact CB-CB 3.98Å; H817-E835 HydrophobicContact CB-CG 4.43Å; H817-E835 VanDerWaalsContact CD2-CG 3.4Å; H817-E835 WeakPolarHBondContact CD2-CG 3.17Å; H817-E835 IonicContact CD2-OE2 2.89Å; H817-E835 IonicContact NE2-OE1 3.53Å; H817-E835 IonicContact NE2-OE2 3.35Å; H817-Y844 AromaticContact CE1-CD1 3.53Å; H817-Y844 AromaticContact CE1-CE1 3.44Å; H817-Y844 VanDerWaalsContact CE1-CE1 3.44Å; H817-Y844 WeakPolarHBondContact CE1-CE1 3.27Å; H817-Y844 AromaticContact CE1-CE2 3.93Å; H817-Y844 AromaticContact CE1-CG 3.83Å; H817-Y844 AromaticContact CE1-CZ 3.63Å; H817-Y844 PolarHBondContact ND1-N 3.45Å
818	R	97.9	Very high	96.2	Very high	27 Å²	27	26 Å²	26	10%	0.102	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	165.9	-175.5	69.1	-175.5	-179.6	-177.4	-1.8	112.6	S790 H791 Q794 D813 N816 Q820 G833	S790-R818 VanDerWaalsContact O-CZ 3.27Å; S790-R818 PolarHBondContact O-NH1 3.21Å; S790-R818 PolarHBondContact O-NH2 3.34Å; S790-R818 VanDerWaalsContact O-NH2 3.12Å; H791-R818 PolarHBondContact O-NH2 3.35Å; Q794-R818 PolarHBondContact O-NH2 2.83Å; D813-R818 HydrophobicContact CB-CG 3.84Å; D813-R818 WeakPolarHBondContact CB-O 3.43Å; D813-R818 PolarHBondContact N-O 3.46Å; D813-R818 PolarHBondContact O-N 2.76Å; D813-R818 IonicContact OD2-CZ 2.81Å; D813-R818 IonicContact OD2-NE 3.12Å; D813-R818 PolarHBondContact OD2-NE 2.91Å; D813-R818 IonicContact OD2-NH2 3.13Å; D813-R818 PolarHBondContact OD2-NH2 3.06Å; D813-R818 VanDerWaalsContact OD2-NH2 3.07Å; N816-R818 VanDerWaalsContact C-N 3.27Å; N816-R818 HydrophobicContact CB-CG 4.03Å; N816-R818 PolarHBondContact O-N 3.44Å; R818-Q820 HydrophobicContact CG-CG 4.3Å; R818-Q820 VanDerWaalsContact NH2-NE2 3.13Å; R818-G833 WeakPolarHBondContact CB-O 3.34Å
819	I	98.6	Very high	96.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.8	168.7	-56.9	-55.2	0	0	0	108.3	I810 V811 S831 F832 F842 P845 V848 V858	I810-I819 HydrophobicContact CG2-CG2 3.48Å; I810-I819 VanDerWaalsContact CG2-CG2 3.48Å; V811-I819 WeakPolarHBondContact O-CA 3.41Å; I819-S831 CarbonylContact O-C 3.56Å; I819-S831 WeakPolarHBondContact O-CA 3.3Å; I819-S831 WeakPolarHBondContact O-CB 3.43Å; I819-F832 HydrophobicContact CB-CD1 4.39Å; I819-F832 HydrophobicContact CB-CD2 4.48Å; I819-F832 HydrophobicContact CB-CE1 3.91Å; I819-F832 HydrophobicContact CB-CE2 4Å; I819-F832 HydrophobicContact CB-CZ 3.7Å; I819-F832 HydrophobicContact CG1-CE2 4.14Å; I819-F832 HydrophobicContact CG1-CZ 4.16Å; I819-F832 HydrophobicContact CG2-CE1 3.78Å; I819-F832 HydrophobicContact CG2-CE2 4.48Å; I819-F832 HydrophobicContact CG2-CZ 3.7Å; I819-F832 PolarHBondContact N-O 3.13Å; I819-F832 PolarHBondContact O-N 3.19Å; I819-F842 HydrophobicContact CG1-CE2 3.96Å; I819-F842 HydrophobicContact CG1-CZ 4.13Å; I819-P845 HydrophobicContact CD1-CB 4.01Å; I819-P845 HydrophobicContact CD1-CG 4.24Å; I819-V848 HydrophobicContact CD1-CG1 3.77Å; I819-V858 HydrophobicContact CD1-CG1 3.81Å; I819-V858 HydrophobicContact CD1-CG2 4.32Å; I819-V858 HydrophobicContact CG1-CG1 4.08Å; I819-V858 HydrophobicContact CG1-CG2 3.93Å
820	Q	98.3	Very high	96.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141.1	176.9	-63.8	-162.9	71.6	0	0	110.5	Q794 F795 V811 D813 R818 F822 F828	Q794-Q820 PolarHBondContact O-NE2 3.36Å; F795-Q820 HydrophobicContact CE1-CB 4.27Å; V811-Q820 PolarHBondContact N-O 3.19Å; V811-Q820 PolarHBondContact O-N 2.87Å; D813-Q820 HydrophobicContact CB-CG 4.39Å; D813-Q820 PolarHBondContact OD2-NE2 3.2Å; R818-Q820 HydrophobicContact CG-CG 4.3Å; R818-Q820 VanDerWaalsContact NH2-NE2 3.13Å; Q820-F822 HydrophobicContact CB-CD2 4.37Å; Q820-F822 HydrophobicContact CB-CE2 3.42Å; Q820-F822 VanDerWaalsContact CB-CE2 3.42Å; Q820-F822 HydrophobicContact CB-CZ 3.89Å; Q820-F828 HydrophobicContact CG-CE2 4.45Å; Q820-F828 VanDerWaalsContact OE1-CE2 3.29Å
821	V	98.1	Very high	96.2	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.012	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.5	-179	-170.3	0	0	0	0	109.1	Q808 L809 I810 L829 F830 F832	Q808-V821 HydrophobicContact CB-CG1 4.02Å; L809-V821 CarbonylContact O-C 3.45Å; L809-V821 WeakPolarHBondContact O-CA 3.34Å; I810-V821 HydrophobicContact CG1-CG1 4Å; I810-V821 HydrophobicContact CG1-CG2 4.04Å; V821-L829 HydrophobicContact CG1-CD1 4.37Å; V821-L829 WeakPolarHBondContact O-CB 3.44Å; V821-L829 PolarHBondContact O-N 2.87Å; V821-F830 HydrophobicContact CB-CD1 4.18Å; V821-F830 HydrophobicContact CB-CD2 4.47Å; V821-F830 HydrophobicContact CB-CE1 3.89Å; V821-F830 HydrophobicContact CB-CE2 4.2Å; V821-F830 HydrophobicContact CB-CG 4.46Å; V821-F830 HydrophobicContact CB-CZ 3.91Å; V821-F830 HydrophobicContact CG1-CE1 3.95Å; V821-F830 HydrophobicContact CG1-CZ 4.11Å; V821-F830 HydrophobicContact CG2-CD2 4.16Å; V821-F830 HydrophobicContact CG2-CE1 4.16Å; V821-F830 HydrophobicContact CG2-CE2 3.63Å; V821-F830 HydrophobicContact CG2-CZ 3.63Å; V821-F830 PolarHBondContact N-O 2.8Å; V821-F830 PolarHBondContact O-N 3.37Å; V821-F832 HydrophobicContact CG2-CE1 4.18Å
822	F	98.1	Very high	96.1	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.009	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	159.7	-178.3	-59.2	-98.4	0	0	0	110.3	F785 F795 Q808 L809 V811 Q820 G826 Q827 F828	F785-F822 AromaticContact CD2-CD1 3.87Å; F785-F822 HydrophobicContact CD2-CD1 3.87Å; F785-F822 AromaticContact CD2-CE1 3.95Å; F785-F822 HydrophobicContact CD2-CE1 3.95Å; F785-F822 HydrophobicContact CD2-CG 4.21Å; F785-F822 HydrophobicContact CD2-CZ 4.36Å; F785-F822 HydrophobicContact CE2-CB 4.29Å; F785-F822 AromaticContact CE2-CD1 3.87Å; F785-F822 HydrophobicContact CE2-CD1 3.87Å; F785-F822 AromaticContact CE2-CD2 3.83Å; F785-F822 HydrophobicContact CE2-CD2 3.83Å; F785-F822 HydrophobicContact CE2-CE1 4.14Å; F785-F822 HydrophobicContact CE2-CE2 4.1Å; F785-F822 AromaticContact CE2-CG 3.72Å; F785-F822 HydrophobicContact CE2-CG 3.72Å; F785-F822 HydrophobicContact CE2-CZ 4.26Å; F785-F822 HydrophobicContact CZ-CG 4.44Å; F795-F822 AromaticContact CE1-CE2 3.78Å; F795-F822 HydrophobicContact CE1-CE2 3.78Å; F795-F822 AromaticContact CE1-CZ 3.89Å; F795-F822 HydrophobicContact CE1-CZ 3.89Å; F795-F822 HydrophobicContact CE2-CE2 4.41Å; F795-F822 HydrophobicContact CE2-CZ 4.09Å; F795-F822 HydrophobicContact CZ-CD2 4.36Å; F795-F822 HydrophobicContact CZ-CE1 4.35Å; F795-F822 AromaticContact CZ-CE2 3.33Å; F795-F822 HydrophobicContact CZ-CE2 3.33Å; F795-F822 AromaticContact CZ-CZ 3.33Å; F795-F822 HydrophobicContact CZ-CZ 3.33Å; Q808-F822 CarbonylContact C-O 3.54Å; Q808-F822 VanDerWaalsContact CA-O 3.23Å; Q808-F822 WeakPolarHBondContact CA-O 3.41Å; L809-F822 HydrophobicContact CB-CB 4.29Å; L809-F822 PolarHBondContact N-O 3.05Å; L809-F822 PolarHBondContact O-N 3.46Å; V811-F822 HydrophobicContact CB-CE2 4.42Å; V811-F822 HydrophobicContact CG2-CD2 4.04Å; V811-F822 HydrophobicContact CG2-CE2 4.15Å; Q820-F822 HydrophobicContact CB-CD2 4.37Å; Q820-F822 HydrophobicContact CB-CE2 3.42Å; Q820-F822 VanDerWaalsContact CB-CE2 3.42Å; Q820-F822 HydrophobicContact CB-CZ 3.89Å; F822-G826 WeakPolarHBondContact CD1-O 3.39Å; F822-Q827 CarbonylContact C-O 3.28Å; F822-Q827 WeakPolarHBondContact CA-O 3.43Å; F822-Q827 WeakPolarHBondContact CB-O 3.41Å; F822-F828 HydrophobicContact CD1-CB 4.22Å; F822-F828 HydrophobicContact CE1-CB 4.02Å; F822-F828 HydrophobicContact CE1-CD2 4.12Å; F822-F828 HydrophobicContact CZ-CD2 4.23Å
823	D	94.6	Very high	96	Very high	40 Å²	40	33.8 Å²	33.8	21%	0.214	17%	0.17	C	C	.	.			trans	-77.3	178.4	161.8	69.4	16.9	0	0	0	111.1	E825 G826 Q827 L829	D823-E825 PolarHBondContact O-N 3.35Å; D823-E825 WeakPolarHBondContact OD1-CA 3.28Å; D823-E825 PolarHBondContact OD1-N 2.9Å; D823-G826 PolarHBondContact O-N 3.49Å; D823-G826 VanDerWaalsContact O-N 3.08Å; D823-G826 PolarHBondContact OD1-N 3.26Å; D823-Q827 PolarHBondContact N-O 2.88Å; D823-Q827 WeakPolarHBondContact OD1-CB 3.32Å; D823-Q827 PolarHBondContact OD1-N 3.16Å; D823-Q827 WeakPolarHBondContact OD2-CB 3.45Å; D823-L829 HydrophobicContact CB-CD1 4.27Å; D823-L829 HydrophobicContact CB-CD2 4.27Å; D823-L829 HydrophobicContact CB-CG 4.41Å
824	R	89.7	Confident	95.9	Very high	66 Å²	66	37.8 Å²	37.8	25%	0.249	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-29.9	-178.2	-168.9	-177.9	179.5	-139.6	-4.5	112.8	D757 Q759 Y763 N807 G826	D757-R824 IonicContact OD2-CZ 3.97Å; D757-R824 IonicContact OD2-NE 3.25Å; D757-R824 PolarHBondContact OD2-NE 2.79Å; D757-R824 IonicContact OD2-NH2 3.84Å; D757-R824 PolarHBondContact OD2-NH2 3.45Å; Q759-R824 VanDerWaalsContact CB-NH2 3.3Å; Y763-R824 WeakPolarHBondContact OH-CG 3.23Å; N807-R824 HydrophobicContact CB-CB 4.22Å; N807-R824 HydrophobicContact CB-CG 4.43Å; N807-R824 PolarHBondContact O-N 3.08Å; R824-G826 PolarHBondContact O-N 2.71Å
825	E	87.7	Confident	95.8	Very high	126 Å²	126	43.5 Å²	43.5	59%	0.589	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-0.9	177.8	-65.1	72	-149.5	0	0	112.5	D823	D823-E825 PolarHBondContact O-N 3.35Å; D823-E825 WeakPolarHBondContact OD1-CA 3.28Å; D823-E825 PolarHBondContact OD1-N 2.9Å
826	G	91.2	Very high	95.7	Very high	7 Å²	7	41.6 Å²	41.6	7%	0.072	21%	0.214	C	C	.	.			trans	82	16.3	179.5	0	0	0	0	0	113.9	F822 D823 R824	F822-G826 WeakPolarHBondContact CD1-O 3.39Å; D823-G826 PolarHBondContact O-N 3.49Å; D823-G826 VanDerWaalsContact O-N 3.08Å; D823-G826 PolarHBondContact OD1-N 3.26Å; R824-G826 PolarHBondContact O-N 2.71Å
827	Q	93.6	Very high	95.4	Very high	120 Å²	120	47.3 Å²	47.3	56%	0.561	24%	0.235	S	C	*	.			trans	-79.1	134.2	172.9	-54.1	-59.1	-62.9	0	0	110.2	F822 D823 L829	F822-Q827 CarbonylContact C-O 3.28Å; F822-Q827 WeakPolarHBondContact CA-O 3.43Å; F822-Q827 WeakPolarHBondContact CB-O 3.41Å; D823-Q827 PolarHBondContact N-O 2.88Å; D823-Q827 WeakPolarHBondContact OD1-CB 3.32Å; D823-Q827 PolarHBondContact OD1-N 3.16Å; D823-Q827 WeakPolarHBondContact OD2-CB 3.45Å; Q827-L829 PolarHBondContact O-N 3.46Å
828	F	96.6	Very high	95.2	Very high	49 Å²	49	53.3 Å²	53.3	22%	0.215	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	130.6	177.4	177.1	-98.7	0	0	0	110.9	E792 Q820 F822 F830	E792-F828 HydrophobicContact CB-CD1 3.91Å; E792-F828 HydrophobicContact CB-CD2 4.22Å; E792-F828 HydrophobicContact CB-CE1 3.7Å; E792-F828 HydrophobicContact CB-CE2 4.01Å; E792-F828 HydrophobicContact CB-CG 4.15Å; E792-F828 HydrophobicContact CB-CZ 3.73Å; E792-F828 HydrophobicContact CG-CD1 4.4Å; E792-F828 HydrophobicContact CG-CE1 3.69Å; E792-F828 HydrophobicContact CG-CE2 4.27Å; E792-F828 HydrophobicContact CG-CZ 3.59Å; E792-F828 WeakPolarHBondContact OE2-CE1 3.38Å; Q820-F828 HydrophobicContact CG-CE2 4.45Å; Q820-F828 VanDerWaalsContact OE1-CE2 3.29Å; F822-F828 HydrophobicContact CD1-CB 4.22Å; F822-F828 HydrophobicContact CE1-CB 4.02Å; F822-F828 HydrophobicContact CE1-CD2 4.12Å; F822-F828 HydrophobicContact CZ-CD2 4.23Å; F828-F830 VanDerWaalsContact CE2-C 3.49Å; F828-F830 VanDerWaalsContact CZ-CA 3.46Å
829	L	96.1	Very high	94.9	Very high	44 Å²	44	58 Å²	58	23%	0.23	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-57.4	174.9	-60.6	-179.9	0	0	0	111	L619 Q808 V821 D823 Q827	L619-L829 HydrophobicContact CD2-CD2 4.19Å; Q808-L829 HydrophobicContact CG-CD1 4.12Å; V821-L829 HydrophobicContact CG1-CD1 4.37Å; V821-L829 WeakPolarHBondContact O-CB 3.44Å; V821-L829 PolarHBondContact O-N 2.87Å; D823-L829 HydrophobicContact CB-CD1 4.27Å; D823-L829 HydrophobicContact CB-CD2 4.27Å; D823-L829 HydrophobicContact CB-CG 4.41Å; Q827-L829 PolarHBondContact O-N 3.46Å
830	F	97	Very high	94.6	Very high	49 Å²	49	58.9 Å²	58.9	22%	0.215	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	167.3	177.6	62.5	-85.6	0	0	0	110.7	V821 F828 F832	V821-F830 HydrophobicContact CB-CD1 4.18Å; V821-F830 HydrophobicContact CB-CD2 4.47Å; V821-F830 HydrophobicContact CB-CE1 3.89Å; V821-F830 HydrophobicContact CB-CE2 4.2Å; V821-F830 HydrophobicContact CB-CG 4.46Å; V821-F830 HydrophobicContact CB-CZ 3.91Å; V821-F830 HydrophobicContact CG1-CE1 3.95Å; V821-F830 HydrophobicContact CG1-CZ 4.11Å; V821-F830 HydrophobicContact CG2-CD2 4.16Å; V821-F830 HydrophobicContact CG2-CE1 4.16Å; V821-F830 HydrophobicContact CG2-CE2 3.63Å; V821-F830 HydrophobicContact CG2-CZ 3.63Å; V821-F830 PolarHBondContact N-O 2.8Å; V821-F830 PolarHBondContact O-N 3.37Å; F828-F830 VanDerWaalsContact CE2-C 3.49Å; F828-F830 VanDerWaalsContact CZ-CA 3.46Å; F830-F832 HydrophobicContact CD2-CD1 4.25Å; F830-F832 AromaticContact CE2-CD1 3.96Å; F830-F832 HydrophobicContact CE2-CD1 3.96Å; F830-F832 HydrophobicContact CE2-CE1 4.24Å
831	S	97.2	Very high	94.5	Very high	43 Å²	43	61.3 Å²	61.3	30%	0.301	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	155.7	172.3	60.8	0	0	0	0	111	I819	I819-S831 CarbonylContact O-C 3.56Å; I819-S831 WeakPolarHBondContact O-CA 3.3Å; I819-S831 WeakPolarHBondContact O-CB 3.43Å
832	F	97.8	Very high	94.5	Very high	20 Å²	20	61.2 Å²	61.2	9%	0.088	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	156	173.6	62.2	-84.6	0	0	0	111	I819 V821 F830 F842 I856 F869	I819-F832 HydrophobicContact CB-CD1 4.39Å; I819-F832 HydrophobicContact CB-CD2 4.48Å; I819-F832 HydrophobicContact CB-CE1 3.91Å; I819-F832 HydrophobicContact CB-CE2 4Å; I819-F832 HydrophobicContact CB-CZ 3.7Å; I819-F832 HydrophobicContact CG1-CE2 4.14Å; I819-F832 HydrophobicContact CG1-CZ 4.16Å; I819-F832 HydrophobicContact CG2-CE1 3.78Å; I819-F832 HydrophobicContact CG2-CE2 4.48Å; I819-F832 HydrophobicContact CG2-CZ 3.7Å; I819-F832 PolarHBondContact N-O 3.13Å; I819-F832 PolarHBondContact O-N 3.19Å; V821-F832 HydrophobicContact CG2-CE1 4.18Å; F830-F832 HydrophobicContact CD2-CD1 4.25Å; F830-F832 AromaticContact CE2-CD1 3.96Å; F830-F832 HydrophobicContact CE2-CD1 3.96Å; F830-F832 HydrophobicContact CE2-CE1 4.24Å; F832-F842 HydrophobicContact CD2-CE2 4.27Å; F832-F842 HydrophobicContact CE2-CE2 4.35Å; F832-F842 HydrophobicContact CE2-CZ 4.24Å; F832-I856 HydrophobicContact CE1-CD1 4.13Å; F832-I856 HydrophobicContact CZ-CD1 4.08Å; F832-I856 HydrophobicContact CZ-CG2 4.3Å; F832-F869 AromaticContact CD2-CD1 3.86Å; F832-F869 HydrophobicContact CD2-CD1 3.86Å; F832-F869 AromaticContact CD2-CE1 3.97Å; F832-F869 HydrophobicContact CD2-CE1 3.97Å; F832-F869 HydrophobicContact CD2-CG 4.28Å; F832-F869 HydrophobicContact CD2-CZ 4.49Å; F832-F869 HydrophobicContact CE2-CB 4.22Å; F832-F869 AromaticContact CE2-CD1 3.71Å; F832-F869 HydrophobicContact CE2-CD1 3.71Å; F832-F869 AromaticContact CE2-CD2 3.88Å; F832-F869 HydrophobicContact CE2-CD2 3.88Å; F832-F869 HydrophobicContact CE2-CE1 4.02Å; F832-F869 HydrophobicContact CE2-CE2 4.18Å; F832-F869 AromaticContact CE2-CG 3.65Å; F832-F869 HydrophobicContact CE2-CG 3.65Å; F832-F869 HydrophobicContact CE2-CZ 4.26Å; F832-F869 HydrophobicContact CZ-CG 4.39Å
833	G	95.5	Very high	94.4	Very high	23 Å²	23	63.4 Å²	63.4	24%	0.237	32%	0.315	C	S	.	.			trans	96.7	146.7	-173.1	0	0	0	0	0	113.4	H817 R818 G840	H817-G833 CarbonylContact O-C 3.27Å; R818-G833 WeakPolarHBondContact CB-O 3.34Å; G833-G840 WeakPolarHBondContact CA-O 3.37Å
834	T	95.5	Very high	94.5	Very high	84 Å²	84	65.9 Å²	65.9	52%	0.515	32%	0.322	S	S	.	.			trans	-139.7	167.3	171.8	62	0	0	0	0	108.3	H817 G836 Q841 F842	H817-T834 CarbonylContact O-C 3.55Å; H817-T834 PolarHBondContact O-N 3.02Å; T834-G836 PolarHBondContact O-N 3.38Å; T834-Q841 CarbonylContact O-C 3.37Å; T834-Q841 VanDerWaalsContact O-CA 3.31Å; T834-Q841 WeakPolarHBondContact O-CA 3.49Å; T834-Q841 WeakPolarHBondContact O-CB 3.35Å; T834-F842 PolarHBondContact O-N 3.37Å
835	E	97.3	Very high	94.9	Very high	121 Å²	121	62.7 Å²	62.7	57%	0.565	31%	0.31	S	S	*	.	B	Isolated β-bridge	trans	-57.7	135.5	171.8	-164.2	175.9	175	0	0	111.6	H817 F842	H817-E835 HydrophobicContact CB-CB 3.98Å; H817-E835 HydrophobicContact CB-CG 4.43Å; H817-E835 VanDerWaalsContact CD2-CG 3.4Å; H817-E835 WeakPolarHBondContact CD2-CG 3.17Å; H817-E835 IonicContact CD2-OE2 2.89Å; H817-E835 IonicContact NE2-OE1 3.53Å; H817-E835 IonicContact NE2-OE2 3.35Å; E835-F842 CarbonylContact C-O 3.52Å; E835-F842 VanDerWaalsContact CA-O 3.3Å; E835-F842 WeakPolarHBondContact CA-O 3.38Å
836	G	93.4	Very high	95.4	Very high	11 Å²	11	57.9 Å²	57.9	11%	0.113	29%	0.287	C	S	.	.	S	Bend	trans	152	-170.4	168.8	0	0	0	0	0	114.5	T834 F842 N863	T834-G836 PolarHBondContact O-N 3.38Å; G836-F842 PolarHBondContact N-O 2.93Å; G836-F842 CarbonylContact O-C 3.59Å; G836-N863 PolarHBondContact O-ND2 2.8Å
837	Y	92.4	Very high	95.6	Very high	146 Å²	146	57.6 Å²	57.6	57%	0.573	28%	0.284	S	S	*	.	S	Bend	trans	-113.9	-10	-173	-55.3	-84.8	0	0	0	112.8	K843 N863 R865	Y837-K843 HydrophobicContact CE1-CD 3.9Å; Y837-K843 PolarHBondContact OH-NZ 3.22Å; Y837-N863 WeakPolarHBondContact CD1-OD1 3.41Å; Y837-N863 WeakPolarHBondContact CE1-OD1 3.45Å; Y837-R865 PolarHBondContact O-NH1 3.46Å; Y837-R865 PolarHBondContact O-NH2 3.44Å; Y837-R865 VanDerWaalsContact O-NH2 3.15Å
838	H	93	Very high	95.9	Very high	139 Å²	139	51.9 Å²	51.9	64%	0.644	26%	0.257	S	S	*	.	S	Bend	trans	-80.9	172.8	-178.1	-60.6	-67.7	0	0	0	112.3	G840 Q841 R865	H838-G840 PolarHBondContact O-N 2.86Å; H838-Q841 HydrophobicContact CB-CG 4.36Å; H838-Q841 PolarHBondContact CD2-OE1 3.15Å; H838-Q841 VanDerWaalsContact N-OE1 3.11Å; H838-Q841 WeakPolarHBondContact O-CB 3.41Å; H838-Q841 PolarHBondContact O-N 2.71Å; H838-Q841 VanDerWaalsContact O-N 3.12Å; H838-R865 PolarHBondContact O-NH2 3.35Å
839	E	92.2	Very high	95.9	Very high	125 Å²	125	49.7 Å²	49.7	58%	0.584	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	132.4	176.5	-64	-178.5	164.5	0	0	110.7	Q841 F875	E839-Q841 PolarHBondContact O-N 2.97Å; E839-F875 HydrophobicContact CB-CD1 3.91Å; E839-F875 HydrophobicContact CB-CD2 4.15Å; E839-F875 HydrophobicContact CB-CE1 3.73Å; E839-F875 HydrophobicContact CB-CE2 3.98Å; E839-F875 HydrophobicContact CB-CG 4.1Å; E839-F875 HydrophobicContact CB-CZ 3.76Å; E839-F875 HydrophobicContact CG-CD1 4.43Å; E839-F875 HydrophobicContact CG-CE1 3.76Å; E839-F875 HydrophobicContact CG-CE2 4.25Å; E839-F875 HydrophobicContact CG-CZ 3.65Å; E839-F875 WeakPolarHBondContact OE2-CE1 3.45Å
840	G	91.6	Very high	95.8	Very high	19 Å²	19	48.9 Å²	48.9	20%	0.196	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	-8	-176	0	0	0	0	0	115.4	G833 H838	G833-G840 WeakPolarHBondContact CA-O 3.37Å; H838-G840 PolarHBondContact O-N 2.86Å
841	Q	96.1	Very high	95.6	Very high	52 Å²	52	47.3 Å²	47.3	24%	0.243	24%	0.238	C	C	.	.			trans	-92.4	153.3	169	-60.3	-178.5	-28.9	0	0	110.4	T834 H838 E839 R865 Q867	T834-Q841 CarbonylContact O-C 3.37Å; T834-Q841 VanDerWaalsContact O-CA 3.31Å; T834-Q841 WeakPolarHBondContact O-CA 3.49Å; T834-Q841 WeakPolarHBondContact O-CB 3.35Å; H838-Q841 HydrophobicContact CB-CG 4.36Å; H838-Q841 PolarHBondContact CD2-OE1 3.15Å; H838-Q841 VanDerWaalsContact N-OE1 3.11Å; H838-Q841 WeakPolarHBondContact O-CB 3.41Å; H838-Q841 PolarHBondContact O-N 2.71Å; H838-Q841 VanDerWaalsContact O-N 3.12Å; E839-Q841 PolarHBondContact O-N 2.97Å; Q841-R865 PolarHBondContact O-NH2 2.96Å; Q841-Q867 PolarHBondContact O-NE2 2.92Å
842	F	97.8	Very high	95.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-126.7	158.4	-179.9	-59.1	-69	0	0	0	112.2	I819 F832 T834 E835 G836 P845 V858 D860 Q867 F869	I819-F842 HydrophobicContact CG1-CE2 3.96Å; I819-F842 HydrophobicContact CG1-CZ 4.13Å; F832-F842 HydrophobicContact CD2-CE2 4.27Å; F832-F842 HydrophobicContact CE2-CE2 4.35Å; F832-F842 HydrophobicContact CE2-CZ 4.24Å; T834-F842 PolarHBondContact O-N 3.37Å; E835-F842 CarbonylContact C-O 3.52Å; E835-F842 VanDerWaalsContact CA-O 3.3Å; E835-F842 WeakPolarHBondContact CA-O 3.38Å; G836-F842 PolarHBondContact N-O 2.93Å; G836-F842 CarbonylContact O-C 3.59Å; F842-P845 HydrophobicContact CB-CB 4.02Å; F842-P845 HydrophobicContact CB-CG 3.84Å; F842-P845 HydrophobicContact CD1-CB 4.12Å; F842-P845 HydrophobicContact CD2-CG 4.36Å; F842-P845 HydrophobicContact CG-CB 3.99Å; F842-P845 HydrophobicContact CG-CG 4.09Å; F842-V858 HydrophobicContact CD1-CG1 4.12Å; F842-V858 HydrophobicContact CE1-CB 3.83Å; F842-V858 HydrophobicContact CE1-CG1 3.53Å; F842-V858 HydrophobicContact CE1-CG2 4.35Å; F842-V858 HydrophobicContact CZ-CB 4.09Å; F842-V858 HydrophobicContact CZ-CG1 3.89Å; F842-V858 HydrophobicContact CZ-CG2 4.1Å; F842-D860 HydrophobicContact CD1-CB 4.1Å; F842-Q867 HydrophobicContact CE1-CB 4.22Å; F842-F869 AromaticContact CE1-CE2 3.69Å; F842-F869 HydrophobicContact CE1-CE2 3.69Å; F842-F869 AromaticContact CE1-CZ 3.68Å; F842-F869 HydrophobicContact CE1-CZ 3.68Å; F842-F869 HydrophobicContact CE2-CZ 4.12Å; F842-F869 HydrophobicContact CZ-CD2 4.4Å; F842-F869 HydrophobicContact CZ-CE1 4.18Å; F842-F869 AromaticContact CZ-CE2 3.35Å; F842-F869 HydrophobicContact CZ-CE2 3.35Å; F842-F869 AromaticContact CZ-CZ 3.21Å; F842-F869 HydrophobicContact CZ-CZ 3.21Å
843	K	96.1	Very high	94.7	Very high	48 Å²	48	51 Å²	51	21%	0.209	25%	0.251	C	S	.	.	S	Bend	trans	-129.7	109.2	164.3	-167.6	172.8	-173	176.6	0	108	Y837 D860 G862 N863	Y837-K843 HydrophobicContact CE1-CD 3.9Å; Y837-K843 PolarHBondContact OH-NZ 3.22Å; K843-D860 PolarHBondContact N-OD1 2.96Å; K843-D860 VanDerWaalsContact O-OD1 3.14Å; K843-G862 WeakPolarHBondContact O-CA 3.49Å; K843-G862 PolarHBondContact O-N 3.34Å; K843-N863 WeakPolarHBondContact CB-OD1 3.37Å; K843-N863 PolarHBondContact N-ND2 3.16Å
844	Y	97	Very high	94.5	Very high	91 Å²	91	50.8 Å²	50.8	36%	0.357	24%	0.244	S	C	.	.	S	Bend	trans	48.5	62.1	-174.9	-55	-75.1	0	0	0	113.7	T814 H817 K846 S861	T814-Y844 HydrophobicContact CG2-CD1 4.29Å; T814-Y844 WeakPolarHBondContact O-CA 3.43Å; H817-Y844 AromaticContact CE1-CD1 3.53Å; H817-Y844 AromaticContact CE1-CE1 3.44Å; H817-Y844 VanDerWaalsContact CE1-CE1 3.44Å; H817-Y844 WeakPolarHBondContact CE1-CE1 3.27Å; H817-Y844 AromaticContact CE1-CE2 3.93Å; H817-Y844 AromaticContact CE1-CG 3.83Å; H817-Y844 AromaticContact CE1-CZ 3.63Å; H817-Y844 PolarHBondContact ND1-N 3.45Å; Y844-K846 PolarHBondContact O-N 2.88Å; Y844-S861 VanDerWaalsContact O-CB 3.25Å; Y844-S861 WeakPolarHBondContact O-CB 3.4Å
845	P	98.2	Very high	94.4	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	136.9	178.2	29	-33.2	0	0	0	110.5	T814 I819 F842 V858 A859	T814-P845 WeakPolarHBondContact CG2-O 3.27Å; T814-P845 PolarHBondContact OG1-O 3.38Å; I819-P845 HydrophobicContact CD1-CB 4.01Å; I819-P845 HydrophobicContact CD1-CG 4.24Å; F842-P845 HydrophobicContact CB-CB 4.02Å; F842-P845 HydrophobicContact CB-CG 3.84Å; F842-P845 HydrophobicContact CD1-CB 4.12Å; F842-P845 HydrophobicContact CD2-CG 4.36Å; F842-P845 HydrophobicContact CG-CB 3.99Å; F842-P845 HydrophobicContact CG-CG 4.09Å; P845-V858 HydrophobicContact CB-CG1 3.81Å; P845-A859 WeakPolarHBondContact CA-O 3.39Å
846	K	97.4	Very high	94.4	Very high	25 Å²	25	41.4 Å²	41.4	11%	0.109	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	-99.9	-177.2	-69	-178.4	-174.3	161	0	111.1	F800 S812 T814 Y844 V848 A859 S861 E893	F800-K846 WeakPolarHBondContact CB-O 3.37Å; F800-K846 HydrophobicContact CD2-CB 3.98Å; F800-K846 HydrophobicContact CE2-CB 4.08Å; S812-K846 WeakPolarHBondContact CB-O 3.44Å; S812-K846 PolarHBondContact OG-O 3.26Å; T814-K846 HydrophobicContact CG2-CG 4.17Å; Y844-K846 PolarHBondContact O-N 2.88Å; K846-V848 PolarHBondContact O-N 2.83Å; K846-A859 PolarHBondContact N-O 3.32Å; K846-S861 PolarHBondContact NZ-OG 2.91Å; K846-S861 VanDerWaalsContact NZ-OG 3.12Å; K846-E893 VanDerWaalsContact CB-O 3.31Å; K846-E893 WeakPolarHBondContact CB-O 3.49Å; K846-E893 IonicContact NZ-OE1 3.43Å; K846-E893 PolarHBondContact NZ-OE1 3.31Å
847	G	97.1	Very high	94.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	136.4	-176.6	0	0	0	0	0	112.6	V858 A859 E893 I895	G847-V858 WeakPolarHBondContact O-CA 3.37Å; G847-A859 PolarHBondContact O-N 3.34Å; G847-E893 VanDerWaalsContact CA-O 3.23Å; G847-E893 WeakPolarHBondContact CA-O 3.2Å; G847-E893 PolarHBondContact N-O 2.81Å; G847-I895 VanDerWaalsContact C-CG2 3.44Å; G847-I895 WeakPolarHBondContact O-CG2 3.44Å
848	V	98.1	Very high	94.8	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	135	175.7	-71.7	0	0	0	0	109.6	F800 T802 I819 K846 F857 V858	F800-V848 HydrophobicContact CB-CG2 3.99Å; T802-V848 HydrophobicContact CG2-CB 4.21Å; T802-V848 HydrophobicContact CG2-CG2 3.93Å; I819-V848 HydrophobicContact CD1-CG1 3.77Å; K846-V848 PolarHBondContact O-N 2.83Å; V848-F857 CarbonylContact C-O 3.59Å; V848-F857 VanDerWaalsContact CA-O 3.32Å; V848-F857 WeakPolarHBondContact CA-O 3.32Å; V848-V858 HydrophobicContact CG1-CG2 4.42Å
849	A	96.9	Very high	95	Very high	3 Å²	3	27.3 Å²	27.3	3%	0.025	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	157.6	175	0	0	0	0	0	110.9	I856 F857 I895 V897	A849-I856 WeakPolarHBondContact O-CA 3.28Å; A849-F857 HydrophobicContact CB-CB 4.33Å; A849-F857 PolarHBondContact N-O 2.97Å; A849-F857 PolarHBondContact O-N 2.91Å; A849-I895 HydrophobicContact CB-CG2 4.06Å; A849-I895 WeakPolarHBondContact CB-O 3.5Å; A849-V897 HydrophobicContact CB-CG2 4.11Å
850	V	95.2	Very high	95.2	Very high	27 Å²	27	21.3 Å²	21.3	16%	0.164	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	137.7	177.9	-175.4	0	0	0	0	108.6	T802 N804 I810 F855 I856	T802-V850 HydrophobicContact CG2-CG2 3.8Å; N804-V850 HydrophobicContact CB-CG1 4.08Å; N804-V850 HydrophobicContact CB-CG2 4.48Å; I810-V850 HydrophobicContact CD1-CG2 3.36Å; V850-F855 WeakPolarHBondContact CA-O 3.34Å; V850-I856 HydrophobicContact CG2-CG1 4.41Å
851	D	92	Very high	95.4	Very high	15 Å²	15	20.9 Å²	20.9	8%	0.08	10%	0.097	C	C	.	.			trans	-93	178.4	175.1	81.7	-7.1	0	0	0	112.9	Y633 Q853 E854 F855 F857 V897	Y633-D851 WeakPolarHBondContact CE2-OD2 3.38Å; Y633-D851 PolarHBondContact OH-OD2 3.32Å; D851-Q853 PolarHBondContact O-N 2.9Å; D851-Q853 VanDerWaalsContact O-N 3.16Å; D851-Q853 VanDerWaalsContact OD1-C 3.24Å; D851-Q853 WeakPolarHBondContact OD1-CA 3.41Å; D851-Q853 PolarHBondContact OD1-N 2.85Å; D851-E854 PolarHBondContact O-N 3.24Å; D851-E854 PolarHBondContact OD1-N 3.2Å; D851-F855 PolarHBondContact N-O 3.2Å; D851-F855 VanDerWaalsContact N-O 3.12Å; D851-F855 PolarHBondContact OD1-N 3.21Å; D851-F857 HydrophobicContact CB-CE2 3.93Å; D851-V897 HydrophobicContact CB-CG1 4.11Å
852	E	88.1	Confident	95.3	Very high	98 Å²	98	20 Å²	20	46%	0.458	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15	-179.8	-57.5	-162.5	173.6	0	0	114.9	R805 S899	R805-E852 PolarHBondContact NH1-O 2.87Å; R805-E852 VanDerWaalsContact NH2-CG 3.3Å; R805-E852 IonicContact NH2-OE1 3.71Å; R805-E852 IonicContact NH2-OE2 3.47Å; R805-E852 PolarHBondContact NH2-OE2 2.79Å; E852-S899 WeakPolarHBondContact OE1-CB 3.32Å
853	Q	88.1	Confident	95.1	Very high	43 Å²	43	21.2 Å²	21.2	20%	0.201	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	8.9	175.6	-63.7	-173.1	-87.7	0	0	111.9	D851 F855	D851-Q853 PolarHBondContact O-N 2.9Å; D851-Q853 VanDerWaalsContact O-N 3.16Å; D851-Q853 VanDerWaalsContact OD1-C 3.24Å; D851-Q853 WeakPolarHBondContact OD1-CA 3.41Å; D851-Q853 PolarHBondContact OD1-N 2.85Å; Q853-F855 HydrophobicContact CB-CD2 3.72Å; Q853-F855 HydrophobicContact CB-CE2 4Å; Q853-F855 PolarHBondContact O-N 3.11Å
854	E	91.7	Very high	95.1	Very high	18 Å²	18	19.2 Å²	19.2	8%	0.084	10%	0.101	C	C	.	.			trans	69	15.1	178.5	-56.1	-71.7	139.6	0	0	114.2	N804 R805 D851 P871	N804-E854 WeakPolarHBondContact CB-OE2 3.4Å; N804-E854 PolarHBondContact ND2-OE2 3.01Å; R805-E854 PolarHBondContact N-OE1 3.45Å; D851-E854 PolarHBondContact O-N 3.24Å; D851-E854 PolarHBondContact OD1-N 3.2Å; E854-P871 HydrophobicContact CB-CB 4.01Å; E854-P871 HydrophobicContact CB-CG 3.69Å; E854-P871 WeakPolarHBondContact O-CA 3.38Å; E854-P871 VanDerWaalsContact O-CG 3.31Å; E854-P871 WeakPolarHBondContact O-CG 3.4Å
855	F	93.5	Very high	95	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.018	9%	0.087	C	C	.	.			trans	-67.8	135.1	170.5	-77	-97.1	0	0	0	109.7	P629 V850 D851 Q853 F857 I868 F869 Y870 F876	P629-F855 HydrophobicContact CB-CE2 3.91Å; P629-F855 HydrophobicContact CB-CZ 3.89Å; P629-F855 HydrophobicContact CG-CZ 4.39Å; V850-F855 WeakPolarHBondContact CA-O 3.34Å; D851-F855 PolarHBondContact N-O 3.2Å; D851-F855 VanDerWaalsContact N-O 3.12Å; D851-F855 PolarHBondContact OD1-N 3.21Å; Q853-F855 HydrophobicContact CB-CD2 3.72Å; Q853-F855 HydrophobicContact CB-CE2 4Å; Q853-F855 PolarHBondContact O-N 3.11Å; F855-F857 HydrophobicContact CB-CE2 3.86Å; F855-F857 HydrophobicContact CB-CZ 4.38Å; F855-F857 WeakPolarHBondContact O-CD2 3.39Å; F855-F857 WeakPolarHBondContact O-CE2 3.37Å; F855-I868 HydrophobicContact CB-CG2 4.33Å; F855-I868 HydrophobicContact CD1-CG2 4.13Å; F855-F869 WeakPolarHBondContact CA-O 3.42Å; F855-F869 WeakPolarHBondContact CD1-O 3.46Å; F855-Y870 AromaticContact CE1-CD1 3.64Å; F855-Y870 HydrophobicContact CE1-CD1 3.64Å; F855-Y870 AromaticContact CE1-CE1 3.75Å; F855-Y870 HydrophobicContact CE1-CE1 3.75Å; F855-Y870 HydrophobicContact CE1-CG 4.37Å; F855-Y870 AromaticContact CZ-CD1 3.93Å; F855-Y870 HydrophobicContact CZ-CD1 3.93Å; F855-Y870 AromaticContact CZ-CE1 3.87Å; F855-Y870 HydrophobicContact CZ-CE1 3.87Å; F855-F876 HydrophobicContact CD1-CG 4.42Å; F855-F876 HydrophobicContact CE1-CB 4.47Å; F855-F876 HydrophobicContact CE1-CD1 4.31Å; F855-F876 HydrophobicContact CE1-CD2 4.03Å; F855-F876 HydrophobicContact CE1-CE2 4.36Å; F855-F876 AromaticContact CE1-CG 3.98Å; F855-F876 HydrophobicContact CE1-CG 3.98Å
856	I	96	Very high	94.8	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.021	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.6	-176.8	-52.5	173.3	0	0	0	108.6	I810 F832 A849 V850 V858 I868 F869	I810-I856 HydrophobicContact CD1-CD1 4.03Å; I810-I856 HydrophobicContact CD1-CG1 4.18Å; I810-I856 HydrophobicContact CG2-CG2 4.23Å; F832-I856 HydrophobicContact CE1-CD1 4.13Å; F832-I856 HydrophobicContact CZ-CD1 4.08Å; F832-I856 HydrophobicContact CZ-CG2 4.3Å; A849-I856 WeakPolarHBondContact O-CA 3.28Å; V850-I856 HydrophobicContact CG2-CG1 4.41Å; I856-V858 HydrophobicContact CG2-CG2 4.06Å; I856-I868 CarbonylContact O-C 3.55Å; I856-I868 WeakPolarHBondContact O-CA 3.46Å; I856-F869 HydrophobicContact CB-CB 4.31Å; I856-F869 PolarHBondContact N-O 3.03Å; I856-F869 PolarHBondContact O-N 3.23Å
857	F	96.7	Very high	94.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.5	177.6	-64.1	-103.4	0	0	0	108.5	Y633 V848 A849 D851 F855 I868 I895 V897 I903	Y633-F857 HydrophobicContact CD1-CE1 4.01Å; Y633-F857 AromaticContact CD1-CZ 3.94Å; Y633-F857 HydrophobicContact CD1-CZ 3.94Å; Y633-F857 HydrophobicContact CD2-CZ 4.21Å; Y633-F857 AromaticContact CE1-CE1 3.96Å; Y633-F857 HydrophobicContact CE1-CE1 3.96Å; Y633-F857 AromaticContact CE1-CZ 3.56Å; Y633-F857 HydrophobicContact CE1-CZ 3.56Å; Y633-F857 AromaticContact CE2-CZ 3.82Å; Y633-F857 HydrophobicContact CE2-CZ 3.82Å; Y633-F857 HydrophobicContact CG-CE1 4.48Å; Y633-F857 HydrophobicContact CG-CZ 4.28Å; Y633-F857 AromaticContact CZ-CZ 3.5Å; V848-F857 CarbonylContact C-O 3.59Å; V848-F857 VanDerWaalsContact CA-O 3.32Å; V848-F857 WeakPolarHBondContact CA-O 3.32Å; A849-F857 HydrophobicContact CB-CB 4.33Å; A849-F857 PolarHBondContact N-O 2.97Å; A849-F857 PolarHBondContact O-N 2.91Å; D851-F857 HydrophobicContact CB-CE2 3.93Å; F855-F857 HydrophobicContact CB-CE2 3.86Å; F855-F857 HydrophobicContact CB-CZ 4.38Å; F855-F857 WeakPolarHBondContact O-CD2 3.39Å; F855-F857 WeakPolarHBondContact O-CE2 3.37Å; F857-I868 HydrophobicContact CD1-CD1 4.05Å; F857-I868 HydrophobicContact CD1-CG1 3.71Å; F857-I868 HydrophobicContact CD1-CG2 4.28Å; F857-I868 HydrophobicContact CE1-CB 4.42Å; F857-I868 HydrophobicContact CE1-CD1 3.54Å; F857-I868 HydrophobicContact CE1-CG1 3.68Å; F857-I868 HydrophobicContact CE1-CG2 3.91Å; F857-I868 HydrophobicContact CE2-CG2 4.39Å; F857-I868 HydrophobicContact CZ-CD1 4.39Å; F857-I868 HydrophobicContact CZ-CG2 3.95Å; F857-I895 HydrophobicContact CB-CD1 3.84Å; F857-I895 HydrophobicContact CB-CG1 4.45Å; F857-V897 HydrophobicContact CB-CG2 4.3Å; F857-V897 HydrophobicContact CD1-CG2 4.04Å; F857-V897 HydrophobicContact CD2-CG2 3.69Å; F857-V897 HydrophobicContact CE1-CG2 4.33Å; F857-V897 HydrophobicContact CE2-CG2 4.02Å; F857-V897 HydrophobicContact CG-CG2 3.73Å; F857-V897 HydrophobicContact CZ-CG2 4.33Å; F857-I903 HydrophobicContact CD1-CD1 3.95Å; F857-I903 HydrophobicContact CD1-CG1 4.3Å; F857-I903 HydrophobicContact CE1-CD1 3.55Å; F857-I903 HydrophobicContact CE1-CG1 4Å
858	V	98.2	Very high	94.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.6	-176.2	-174.7	0	0	0	0	109.3	I819 F842 P845 G847 V848 I856 D860 V866 Q867 F869	I819-V858 HydrophobicContact CD1-CG1 3.81Å; I819-V858 HydrophobicContact CD1-CG2 4.32Å; I819-V858 HydrophobicContact CG1-CG1 4.08Å; I819-V858 HydrophobicContact CG1-CG2 3.93Å; F842-V858 HydrophobicContact CD1-CG1 4.12Å; F842-V858 HydrophobicContact CE1-CB 3.83Å; F842-V858 HydrophobicContact CE1-CG1 3.53Å; F842-V858 HydrophobicContact CE1-CG2 4.35Å; F842-V858 HydrophobicContact CZ-CB 4.09Å; F842-V858 HydrophobicContact CZ-CG1 3.89Å; F842-V858 HydrophobicContact CZ-CG2 4.1Å; P845-V858 HydrophobicContact CB-CG1 3.81Å; G847-V858 WeakPolarHBondContact O-CA 3.37Å; V848-V858 HydrophobicContact CG1-CG2 4.42Å; I856-V858 HydrophobicContact CG2-CG2 4.06Å; V858-D860 PolarHBondContact O-N 3.14Å; V858-V866 WeakPolarHBondContact O-CA 3.27Å; V858-Q867 PolarHBondContact N-O 3.16Å; V858-Q867 PolarHBondContact O-N 3.29Å; V858-F869 HydrophobicContact CB-CE2 4.26Å; V858-F869 HydrophobicContact CG2-CD2 3.97Å; V858-F869 HydrophobicContact CG2-CE2 3.97Å
859	A	97.3	Very high	94.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	104.3	170.2	0	0	0	0	0	109.5	P845 K846 G847 S861 I892 I895	P845-A859 WeakPolarHBondContact CA-O 3.39Å; K846-A859 PolarHBondContact N-O 3.32Å; G847-A859 PolarHBondContact O-N 3.34Å; A859-S861 PolarHBondContact O-N 2.85Å; A859-S861 VanDerWaalsContact O-N 3.12Å; A859-I892 HydrophobicContact CB-CB 4.35Å; A859-I892 HydrophobicContact CB-CD1 3.68Å; A859-I892 HydrophobicContact CB-CG1 3.73Å; A859-I892 HydrophobicContact CB-CG2 3.84Å; A859-I895 HydrophobicContact CB-CB 4.47Å; A859-I895 HydrophobicContact CB-CG2 4.35Å
860	D	96.7	Very high	94.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	78.8	179.4	-170.7	1.8	0	0	0	109.2	F842 K843 V858 G862 N863 S864 R865 Q867	F842-D860 HydrophobicContact CD1-CB 4.1Å; K843-D860 PolarHBondContact N-OD1 2.96Å; K843-D860 VanDerWaalsContact O-OD1 3.14Å; V858-D860 PolarHBondContact O-N 3.14Å; D860-G862 VanDerWaalsContact C-N 3.31Å; D860-G862 PolarHBondContact O-N 3.45Å; D860-N863 HydrophobicContact CB-CB 4.49Å; D860-N863 CarbonylContact O-C 3.41Å; D860-N863 PolarHBondContact O-N 3.24Å; D860-N863 VanDerWaalsContact O-N 3.15Å; D860-N863 PolarHBondContact OD1-ND2 3.21Å; D860-N863 WeakPolarHBondContact OD2-CB 3.45Å; D860-N863 PolarHBondContact OD2-ND2 3.43Å; D860-S864 PolarHBondContact O-N 3.27Å; D860-R865 HydrophobicContact CB-CG 3.8Å; D860-R865 WeakPolarHBondContact CB-O 3.32Å; D860-R865 PolarHBondContact N-O 2.94Å; D860-R865 PolarHBondContact O-N 3.03Å; D860-R865 IonicContact OD2-CZ 2.83Å; D860-R865 IonicContact OD2-NE 2.54Å; D860-R865 PolarHBondContact OD2-NE 2.87Å; D860-R865 IonicContact OD2-NH2 3.79Å; D860-R865 PolarHBondContact OD2-NH2 3.06Å; D860-Q867 PolarHBondContact OD2-NE2 3.48Å
861	S	96	Very high	94.2	Very high	9 Å²	9	16 Å²	16	6%	0.063	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-39.8	-167	-177.2	0	0	0	0	113.6	Y844 K846 A859 I892	Y844-S861 VanDerWaalsContact O-CB 3.25Å; Y844-S861 WeakPolarHBondContact O-CB 3.4Å; K846-S861 PolarHBondContact NZ-OG 2.91Å; K846-S861 VanDerWaalsContact NZ-OG 3.12Å; A859-S861 PolarHBondContact O-N 2.85Å; A859-S861 VanDerWaalsContact O-N 3.12Å; S861-I892 VanDerWaalsContact CB-O 3.25Å; S861-I892 WeakPolarHBondContact CB-O 3.36Å; S861-I892 PolarHBondContact OG-O 3.04Å
862	G	93	Very high	94.1	Very high	35 Å²	35	17.8 Å²	17.8	36%	0.361	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-25.4	-177.4	0	0	0	0	0	113.4	K843 D860	K843-G862 WeakPolarHBondContact O-CA 3.49Å; K843-G862 PolarHBondContact O-N 3.34Å; D860-G862 VanDerWaalsContact C-N 3.31Å; D860-G862 PolarHBondContact O-N 3.45Å
863	N	94.7	Very high	94.3	Very high	25 Å²	25	13.6 Å²	13.6	13%	0.134	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	1.4	175.8	-65.2	-31.8	0	0	0	113	G836 Y837 K843 D860 R865	G836-N863 PolarHBondContact O-ND2 2.8Å; Y837-N863 WeakPolarHBondContact CD1-OD1 3.41Å; Y837-N863 WeakPolarHBondContact CE1-OD1 3.45Å; K843-N863 WeakPolarHBondContact CB-OD1 3.37Å; K843-N863 PolarHBondContact N-ND2 3.16Å; D860-N863 HydrophobicContact CB-CB 4.49Å; D860-N863 CarbonylContact O-C 3.41Å; D860-N863 PolarHBondContact O-N 3.24Å; D860-N863 VanDerWaalsContact O-N 3.15Å; D860-N863 PolarHBondContact OD1-ND2 3.21Å; D860-N863 WeakPolarHBondContact OD2-CB 3.45Å; D860-N863 PolarHBondContact OD2-ND2 3.43Å; N863-R865 VanDerWaalsContact C-N 3.28Å; N863-R865 HydrophobicContact CB-CG 3.95Å; N863-R865 PolarHBondContact ND2-NH2 3.31Å; N863-R865 PolarHBondContact O-N 2.85Å
864	S	94.7	Very high	94.6	Very high	6 Å²	6	16.5 Å²	16.5	4%	0.042	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	42.6	178.4	-58.5	0	0	0	0	113.6	D860 G880 S881 L889	D860-S864 PolarHBondContact O-N 3.27Å; S864-G880 CarbonylContact O-C 3.51Å; S864-S881 CarbonylContact O-C 3.57Å; S864-S881 PolarHBondContact O-N 3.28Å; S864-L889 WeakPolarHBondContact CB-O 3.45Å
865	R	94.8	Very high	94.6	Very high	16 Å²	16	18.1 Å²	18.1	6%	0.06	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	165.3	-178.3	67.2	-178.5	178.2	-175	-6.5	111.8	Y837 H838 Q841 D860 N863 Q867 F879	Y837-R865 PolarHBondContact O-NH1 3.46Å; Y837-R865 PolarHBondContact O-NH2 3.44Å; Y837-R865 VanDerWaalsContact O-NH2 3.15Å; H838-R865 PolarHBondContact O-NH2 3.35Å; Q841-R865 PolarHBondContact O-NH2 2.96Å; D860-R865 HydrophobicContact CB-CG 3.8Å; D860-R865 WeakPolarHBondContact CB-O 3.32Å; D860-R865 PolarHBondContact N-O 2.94Å; D860-R865 PolarHBondContact O-N 3.03Å; D860-R865 IonicContact OD2-CZ 2.83Å; D860-R865 IonicContact OD2-NE 2.54Å; D860-R865 PolarHBondContact OD2-NE 2.87Å; D860-R865 IonicContact OD2-NH2 3.79Å; D860-R865 PolarHBondContact OD2-NH2 3.06Å; N863-R865 VanDerWaalsContact C-N 3.28Å; N863-R865 HydrophobicContact CB-CG 3.95Å; N863-R865 PolarHBondContact ND2-NH2 3.31Å; N863-R865 PolarHBondContact O-N 2.85Å; R865-Q867 HydrophobicContact CG-CG 4.38Å; R865-Q867 VanDerWaalsContact NH2-NE2 3.13Å; R865-F879 WeakPolarHBondContact CA-O 3.46Å; R865-F879 WeakPolarHBondContact CB-O 3.4Å
866	V	95.7	Very high	94.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.2	168	176.8	0	0	0	0	108.2	V858 Q878 F879 L889 I892 I895 V905	V858-V866 WeakPolarHBondContact O-CA 3.27Å; V866-Q878 CarbonylContact O-C 3.59Å; V866-Q878 VanDerWaalsContact O-CA 3.23Å; V866-Q878 WeakPolarHBondContact O-CA 3.28Å; V866-F879 HydrophobicContact CB-CD1 4.34Å; V866-F879 HydrophobicContact CB-CD2 4.47Å; V866-F879 HydrophobicContact CB-CE1 3.84Å; V866-F879 HydrophobicContact CB-CE2 3.99Å; V866-F879 HydrophobicContact CB-CZ 3.66Å; V866-F879 HydrophobicContact CG1-CE1 3.77Å; V866-F879 HydrophobicContact CG1-CZ 3.78Å; V866-F879 HydrophobicContact CG2-CE2 4.09Å; V866-F879 HydrophobicContact CG2-CZ 4.02Å; V866-F879 PolarHBondContact N-O 3.38Å; V866-F879 PolarHBondContact O-N 3.45Å; V866-L889 HydrophobicContact CG2-CD1 4.32Å; V866-I892 HydrophobicContact CG2-CD1 3.59Å; V866-I895 HydrophobicContact CB-CD1 4.39Å; V866-I895 HydrophobicContact CG1-CD1 3.45Å; V866-I895 VanDerWaalsContact CG1-CD1 3.45Å; V866-I895 HydrophobicContact CG2-CD1 3.97Å; V866-V905 HydrophobicContact CG2-CG1 3.96Å
867	Q	95.3	Very high	94.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	144	173.1	-66.7	-167.2	65.1	0	0	110.6	Q841 F842 V858 D860 R865 F869 F875 Q878	Q841-Q867 PolarHBondContact O-NE2 2.92Å; F842-Q867 HydrophobicContact CE1-CB 4.22Å; V858-Q867 PolarHBondContact N-O 3.16Å; V858-Q867 PolarHBondContact O-N 3.29Å; D860-Q867 PolarHBondContact OD2-NE2 3.48Å; R865-Q867 HydrophobicContact CG-CG 4.38Å; R865-Q867 VanDerWaalsContact NH2-NE2 3.13Å; Q867-F869 HydrophobicContact CB-CD2 4.37Å; Q867-F869 HydrophobicContact CB-CE2 3.41Å; Q867-F869 VanDerWaalsContact CB-CE2 3.41Å; Q867-F869 HydrophobicContact CB-CZ 3.86Å; Q867-F875 HydrophobicContact CG-CE2 4.42Å; Q867-Q878 HydrophobicContact CG-CB 3.94Å
868	I	95	Very high	94	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135.1	-177.7	-49.1	176	0	0	0	107.6	Y633 F855 I856 F857 F876 A877 F879	Y633-I868 HydrophobicContact CD1-CD1 4.38Å; Y633-I868 HydrophobicContact CG-CD1 4.13Å; F855-I868 HydrophobicContact CB-CG2 4.33Å; F855-I868 HydrophobicContact CD1-CG2 4.13Å; I856-I868 CarbonylContact O-C 3.55Å; I856-I868 WeakPolarHBondContact O-CA 3.46Å; F857-I868 HydrophobicContact CD1-CD1 4.05Å; F857-I868 HydrophobicContact CD1-CG1 3.71Å; F857-I868 HydrophobicContact CD1-CG2 4.28Å; F857-I868 HydrophobicContact CE1-CB 4.42Å; F857-I868 HydrophobicContact CE1-CD1 3.54Å; F857-I868 HydrophobicContact CE1-CG1 3.68Å; F857-I868 HydrophobicContact CE1-CG2 3.91Å; F857-I868 HydrophobicContact CE2-CG2 4.39Å; F857-I868 HydrophobicContact CZ-CD1 4.39Å; F857-I868 HydrophobicContact CZ-CG2 3.95Å; I868-F876 HydrophobicContact CB-CD1 4.32Å; I868-F876 HydrophobicContact CG2-CB 4.47Å; I868-F876 HydrophobicContact CG2-CD1 4.07Å; I868-F876 WeakPolarHBondContact O-CA 3.2Å; I868-F876 VanDerWaalsContact O-CB 3.3Å; I868-F876 WeakPolarHBondContact O-CB 3.42Å; I868-F876 PolarHBondContact O-N 3.45Å; I868-A877 HydrophobicContact CD1-CB 4.46Å; I868-A877 PolarHBondContact N-O 2.8Å; I868-A877 PolarHBondContact O-N 2.88Å; I868-F879 HydrophobicContact CD1-CE1 4.17Å
869	F	95.4	Very high	93.8	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.009	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	151	-176.5	-62.6	-96.7	0	0	0	110.7	F832 F842 F855 I856 V858 Q867 G873 R874 F875	F832-F869 AromaticContact CD2-CD1 3.86Å; F832-F869 HydrophobicContact CD2-CD1 3.86Å; F832-F869 AromaticContact CD2-CE1 3.97Å; F832-F869 HydrophobicContact CD2-CE1 3.97Å; F832-F869 HydrophobicContact CD2-CG 4.28Å; F832-F869 HydrophobicContact CD2-CZ 4.49Å; F832-F869 HydrophobicContact CE2-CB 4.22Å; F832-F869 AromaticContact CE2-CD1 3.71Å; F832-F869 HydrophobicContact CE2-CD1 3.71Å; F832-F869 AromaticContact CE2-CD2 3.88Å; F832-F869 HydrophobicContact CE2-CD2 3.88Å; F832-F869 HydrophobicContact CE2-CE1 4.02Å; F832-F869 HydrophobicContact CE2-CE2 4.18Å; F832-F869 AromaticContact CE2-CG 3.65Å; F832-F869 HydrophobicContact CE2-CG 3.65Å; F832-F869 HydrophobicContact CE2-CZ 4.26Å; F832-F869 HydrophobicContact CZ-CG 4.39Å; F842-F869 AromaticContact CE1-CE2 3.69Å; F842-F869 HydrophobicContact CE1-CE2 3.69Å; F842-F869 AromaticContact CE1-CZ 3.68Å; F842-F869 HydrophobicContact CE1-CZ 3.68Å; F842-F869 HydrophobicContact CE2-CZ 4.12Å; F842-F869 HydrophobicContact CZ-CD2 4.4Å; F842-F869 HydrophobicContact CZ-CE1 4.18Å; F842-F869 AromaticContact CZ-CE2 3.35Å; F842-F869 HydrophobicContact CZ-CE2 3.35Å; F842-F869 AromaticContact CZ-CZ 3.21Å; F842-F869 HydrophobicContact CZ-CZ 3.21Å; F855-F869 WeakPolarHBondContact CA-O 3.42Å; F855-F869 WeakPolarHBondContact CD1-O 3.46Å; I856-F869 HydrophobicContact CB-CB 4.31Å; I856-F869 PolarHBondContact N-O 3.03Å; I856-F869 PolarHBondContact O-N 3.23Å; V858-F869 HydrophobicContact CB-CE2 4.26Å; V858-F869 HydrophobicContact CG2-CD2 3.97Å; V858-F869 HydrophobicContact CG2-CE2 3.97Å; Q867-F869 HydrophobicContact CB-CD2 4.37Å; Q867-F869 HydrophobicContact CB-CE2 3.41Å; Q867-F869 VanDerWaalsContact CB-CE2 3.41Å; Q867-F869 HydrophobicContact CB-CZ 3.86Å; F869-G873 WeakPolarHBondContact CD1-O 3.44Å; F869-R874 CarbonylContact C-O 3.53Å; F869-R874 VanDerWaalsContact CA-O 3.29Å; F869-R874 WeakPolarHBondContact CA-O 3.47Å; F869-F875 HydrophobicContact CD1-CB 4.33Å; F869-F875 HydrophobicContact CE1-CB 4.11Å; F869-F875 HydrophobicContact CE1-CD2 4.19Å; F869-F875 HydrophobicContact CZ-CD2 4.29Å
870	Y	93.5	Very high	93.5	Very high	49 Å²	49	26.9 Å²	26.9	19%	0.192	15%	0.145	C	C	.	.			trans	-62.8	159.9	163.4	-73.4	-74	0	0	0	110.7	F855 D872 G873 R874 F876	F855-Y870 AromaticContact CE1-CD1 3.64Å; F855-Y870 HydrophobicContact CE1-CD1 3.64Å; F855-Y870 AromaticContact CE1-CE1 3.75Å; F855-Y870 HydrophobicContact CE1-CE1 3.75Å; F855-Y870 HydrophobicContact CE1-CG 4.37Å; F855-Y870 AromaticContact CZ-CD1 3.93Å; F855-Y870 HydrophobicContact CZ-CD1 3.93Å; F855-Y870 AromaticContact CZ-CE1 3.87Å; F855-Y870 HydrophobicContact CZ-CE1 3.87Å; Y870-D872 WeakPolarHBondContact CB-OD1 3.5Å; Y870-D872 PolarHBondContact O-N 3.38Å; Y870-G873 PolarHBondContact O-N 3.28Å; Y870-R874 HydrophobicContact CD2-CB 4.08Å; Y870-R874 PolarHBondContact N-O 3.35Å; Y870-F876 HydrophobicContact CD2-CB 4.19Å; Y870-F876 HydrophobicContact CD2-CD2 4.38Å; Y870-F876 AromaticContact CE1-CD2 3.99Å; Y870-F876 HydrophobicContact CE1-CD2 3.99Å; Y870-F876 HydrophobicContact CE1-CE2 4.43Å; Y870-F876 HydrophobicContact CE2-CB 4.12Å; Y870-F876 AromaticContact CE2-CD2 3.6Å; Y870-F876 HydrophobicContact CE2-CD2 3.6Å; Y870-F876 HydrophobicContact CE2-CG 4.35Å; Y870-F876 AromaticContact CZ-CD2 3.37Å; Y870-F876 AromaticContact CZ-CE2 3.93Å; Y870-F876 VanDerWaalsContact OH-CD2 3.3Å; Y870-F876 WeakPolarHBondContact OH-CD2 3.37Å; Y870-F876 WeakPolarHBondContact OH-CE2 3.22Å
871	P	92.1	Very high	93.2	Very high	11 Å²	11	29.8 Å²	29.8	7%	0.071	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.2	178.8	-24.8	31.2	0	0	0	115.1	Y624 E854 G873	Y624-P871 HydrophobicContact CD1-CB 3.18Å; Y624-P871 HydrophobicContact CD1-CG 4.06Å; Y624-P871 HydrophobicContact CE1-CB 3.5Å; Y624-P871 HydrophobicContact CG-CB 3.79Å; E854-P871 HydrophobicContact CB-CB 4.01Å; E854-P871 HydrophobicContact CB-CG 3.69Å; E854-P871 WeakPolarHBondContact O-CA 3.38Å; E854-P871 VanDerWaalsContact O-CG 3.31Å; E854-P871 WeakPolarHBondContact O-CG 3.4Å; P871-G873 VanDerWaalsContact C-N 3.35Å
872	D	90.8	Very high	93	Very high	53 Å²	53	37.4 Å²	37.4	28%	0.283	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	5.1	177.3	66.3	-8.3	0	0	0	113.8	Y624 Y870 R874	Y624-D872 HydrophobicContact CD2-CB 3.92Å; Y624-D872 HydrophobicContact CE2-CB 4.34Å; Y870-D872 WeakPolarHBondContact CB-OD1 3.5Å; Y870-D872 PolarHBondContact O-N 3.38Å; D872-R874 IonicContact OD1-CZ 3Å; D872-R874 PolarHBondContact OD1-N 2.85Å; D872-R874 IonicContact OD1-NE 2.93Å; D872-R874 PolarHBondContact OD1-NE 3.07Å; D872-R874 IonicContact OD1-NH2 3.56Å; D872-R874 PolarHBondContact OD1-NH2 2.86Å; D872-R874 IonicContact OD2-CZ 3.45Å; D872-R874 IonicContact OD2-NE 3.41Å; D872-R874 PolarHBondContact OD2-NE 2.92Å; D872-R874 IonicContact OD2-NH2 2.83Å; D872-R874 PolarHBondContact OD2-NH2 3.22Å
873	G	92.3	Very high	92.9	Very high	10 Å²	10	35.9 Å²	35.9	10%	0.103	18%	0.177	C	C	.	.	S	Bend	trans	85.3	3.8	178.9	0	0	0	0	0	114.9	F869 Y870 P871	F869-G873 WeakPolarHBondContact CD1-O 3.44Å; Y870-G873 PolarHBondContact O-N 3.28Å; P871-G873 VanDerWaalsContact C-N 3.35Å
874	R	92.7	Very high	92.7	Very high	104 Å²	104	38 Å²	38	39%	0.392	19%	0.194	S	C	.	.			trans	-73.3	137.8	172.7	-73.7	-175.6	-69.5	102.4	12.6	111.1	N626 F869 Y870 D872	N626-R874 VanDerWaalsContact CG-NH2 3.29Å; N626-R874 PolarHBondContact ND2-NH2 3.37Å; N626-R874 PolarHBondContact OD1-NH2 3.18Å; F869-R874 CarbonylContact C-O 3.53Å; F869-R874 VanDerWaalsContact CA-O 3.29Å; F869-R874 WeakPolarHBondContact CA-O 3.47Å; Y870-R874 HydrophobicContact CD2-CB 4.08Å; Y870-R874 PolarHBondContact N-O 3.35Å; D872-R874 IonicContact OD1-CZ 3Å; D872-R874 PolarHBondContact OD1-N 2.85Å; D872-R874 IonicContact OD1-NE 2.93Å; D872-R874 PolarHBondContact OD1-NE 3.07Å; D872-R874 IonicContact OD1-NH2 3.56Å; D872-R874 PolarHBondContact OD1-NH2 2.86Å; D872-R874 IonicContact OD2-CZ 3.45Å; D872-R874 IonicContact OD2-NE 3.41Å; D872-R874 PolarHBondContact OD2-NE 2.92Å; D872-R874 IonicContact OD2-NH2 2.83Å; D872-R874 PolarHBondContact OD2-NH2 3.22Å
875	F	92.9	Very high	92.4	Very high	53 Å²	53	39 Å²	39	23%	0.232	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	137.8	176.5	177.7	-100.4	0	0	0	111.7	E839 Q867 F869 A877 Q878	E839-F875 HydrophobicContact CB-CD1 3.91Å; E839-F875 HydrophobicContact CB-CD2 4.15Å; E839-F875 HydrophobicContact CB-CE1 3.73Å; E839-F875 HydrophobicContact CB-CE2 3.98Å; E839-F875 HydrophobicContact CB-CG 4.1Å; E839-F875 HydrophobicContact CB-CZ 3.76Å; E839-F875 HydrophobicContact CG-CD1 4.43Å; E839-F875 HydrophobicContact CG-CE1 3.76Å; E839-F875 HydrophobicContact CG-CE2 4.25Å; E839-F875 HydrophobicContact CG-CZ 3.65Å; E839-F875 WeakPolarHBondContact OE2-CE1 3.45Å; Q867-F875 HydrophobicContact CG-CE2 4.42Å; F869-F875 HydrophobicContact CD1-CB 4.33Å; F869-F875 HydrophobicContact CE1-CB 4.11Å; F869-F875 HydrophobicContact CE1-CD2 4.19Å; F869-F875 HydrophobicContact CZ-CD2 4.29Å; F875-A877 WeakPolarHBondContact CE2-O 3.49Å; F875-A877 VanDerWaalsContact CZ-C 3.43Å; F875-Q878 HydrophobicContact CE2-CB 3.99Å; F875-Q878 HydrophobicContact CE2-CG 4.43Å; F875-Q878 HydrophobicContact CZ-CB 4.03Å; F875-Q878 HydrophobicContact CZ-CG 4.04Å
876	F	91	Very high	92.1	Very high	48 Å²	48	42.7 Å²	42.7	21%	0.211	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	-56.3	176.1	178.4	-101.8	0	0	0	112.1	P629 F855 I868 Y870	P629-F876 HydrophobicContact CG-CE1 4.26Å; P629-F876 HydrophobicContact CG-CE2 4.36Å; P629-F876 HydrophobicContact CG-CZ 3.67Å; F855-F876 HydrophobicContact CD1-CG 4.42Å; F855-F876 HydrophobicContact CE1-CB 4.47Å; F855-F876 HydrophobicContact CE1-CD1 4.31Å; F855-F876 HydrophobicContact CE1-CD2 4.03Å; F855-F876 HydrophobicContact CE1-CE2 4.36Å; F855-F876 AromaticContact CE1-CG 3.98Å; F855-F876 HydrophobicContact CE1-CG 3.98Å; I868-F876 HydrophobicContact CB-CD1 4.32Å; I868-F876 HydrophobicContact CG2-CB 4.47Å; I868-F876 HydrophobicContact CG2-CD1 4.07Å; I868-F876 WeakPolarHBondContact O-CA 3.2Å; I868-F876 VanDerWaalsContact O-CB 3.3Å; I868-F876 WeakPolarHBondContact O-CB 3.42Å; I868-F876 PolarHBondContact O-N 3.45Å; Y870-F876 HydrophobicContact CD2-CB 4.19Å; Y870-F876 HydrophobicContact CD2-CD2 4.38Å; Y870-F876 AromaticContact CE1-CD2 3.99Å; Y870-F876 HydrophobicContact CE1-CD2 3.99Å; Y870-F876 HydrophobicContact CE1-CE2 4.43Å; Y870-F876 HydrophobicContact CE2-CB 4.12Å; Y870-F876 AromaticContact CE2-CD2 3.6Å; Y870-F876 HydrophobicContact CE2-CD2 3.6Å; Y870-F876 HydrophobicContact CE2-CG 4.35Å; Y870-F876 AromaticContact CZ-CD2 3.37Å; Y870-F876 AromaticContact CZ-CE2 3.93Å; Y870-F876 VanDerWaalsContact OH-CD2 3.3Å; Y870-F876 WeakPolarHBondContact OH-CD2 3.37Å; Y870-F876 WeakPolarHBondContact OH-CE2 3.22Å
877	A	91.1	Very high	91.6	Very high	15 Å²	15	43.3 Å²	43.3	12%	0.124	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	166.4	-176.4	0	0	0	0	0	111.4	I868 F875	I868-A877 HydrophobicContact CD1-CB 4.46Å; I868-A877 PolarHBondContact N-O 2.8Å; I868-A877 PolarHBondContact O-N 2.88Å; F875-A877 WeakPolarHBondContact CE2-O 3.49Å; F875-A877 VanDerWaalsContact CZ-C 3.43Å
878	Q	92.1	Very high	91.4	Very high	78 Å²	78	46.6 Å²	46.6	36%	0.364	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	158.3	172.8	67.6	177	22	0	0	111.8	V866 Q867 F875	V866-Q878 CarbonylContact O-C 3.59Å; V866-Q878 VanDerWaalsContact O-CA 3.23Å; V866-Q878 WeakPolarHBondContact O-CA 3.28Å; Q867-Q878 HydrophobicContact CG-CB 3.94Å; F875-Q878 HydrophobicContact CE2-CB 3.99Å; F875-Q878 HydrophobicContact CE2-CG 4.43Å; F875-Q878 HydrophobicContact CZ-CB 4.03Å; F875-Q878 HydrophobicContact CZ-CG 4.04Å
879	F	92.4	Very high	91.4	Very high	21 Å²	21	46.6 Å²	46.6	9%	0.092	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	165.5	170.3	64.4	-88.2	0	0	0	111.4	R865 V866 I868 I903 F916	R865-F879 WeakPolarHBondContact CA-O 3.46Å; R865-F879 WeakPolarHBondContact CB-O 3.4Å; V866-F879 HydrophobicContact CB-CD1 4.34Å; V866-F879 HydrophobicContact CB-CD2 4.47Å; V866-F879 HydrophobicContact CB-CE1 3.84Å; V866-F879 HydrophobicContact CB-CE2 3.99Å; V866-F879 HydrophobicContact CB-CZ 3.66Å; V866-F879 HydrophobicContact CG1-CE1 3.77Å; V866-F879 HydrophobicContact CG1-CZ 3.78Å; V866-F879 HydrophobicContact CG2-CE2 4.09Å; V866-F879 HydrophobicContact CG2-CZ 4.02Å; V866-F879 PolarHBondContact N-O 3.38Å; V866-F879 PolarHBondContact O-N 3.45Å; I868-F879 HydrophobicContact CD1-CE1 4.17Å; F879-I903 HydrophobicContact CE1-CD1 3.77Å; F879-I903 HydrophobicContact CZ-CD1 3.77Å; F879-I903 HydrophobicContact CZ-CG2 4.23Å; F879-F916 AromaticContact CD2-CD1 3.93Å; F879-F916 HydrophobicContact CD2-CD1 3.93Å; F879-F916 AromaticContact CD2-CE1 3.96Å; F879-F916 HydrophobicContact CD2-CE1 3.96Å; F879-F916 HydrophobicContact CD2-CG 4.38Å; F879-F916 HydrophobicContact CD2-CZ 4.43Å; F879-F916 HydrophobicContact CE2-CB 4.14Å; F879-F916 AromaticContact CE2-CD1 3.61Å; F879-F916 HydrophobicContact CE2-CD1 3.61Å; F879-F916 AromaticContact CE2-CD2 3.84Å; F879-F916 HydrophobicContact CE2-CD2 3.84Å; F879-F916 AromaticContact CE2-CE1 3.86Å; F879-F916 HydrophobicContact CE2-CE1 3.86Å; F879-F916 HydrophobicContact CE2-CE2 4.08Å; F879-F916 AromaticContact CE2-CG 3.6Å; F879-F916 HydrophobicContact CE2-CG 3.6Å; F879-F916 HydrophobicContact CE2-CZ 4.09Å; F879-F916 HydrophobicContact CZ-CB 4.31Å; F879-F916 HydrophobicContact CZ-CD2 4.48Å; F879-F916 HydrophobicContact CZ-CG 4.23Å
880	G	90.5	Very high	91.2	Very high	30 Å²	30	49.7 Å²	49.7	31%	0.309	26%	0.26	S	S	.	.			trans	98	152	-175.9	0	0	0	0	0	112.5	S864	S864-G880 CarbonylContact O-C 3.51Å
881	S	90.4	Very high	91.1	Very high	61 Å²	61	47.8 Å²	47.8	43%	0.427	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	159.5	177.5	53.8	0	0	0	0	109.5	S864 G883 E888 L889	S864-S881 CarbonylContact O-C 3.57Å; S864-S881 PolarHBondContact O-N 3.28Å; S881-G883 PolarHBondContact O-N 2.73Å; S881-E888 CarbonylContact O-C 3.55Å; S881-E888 VanDerWaalsContact O-CA 3.27Å; S881-E888 WeakPolarHBondContact O-CA 3.1Å; S881-L889 PolarHBondContact O-N 3.3Å
882	W	92.7	Very high	91.2	Very high	168 Å²	168	47.3 Å²	47.3	64%	0.636	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	131.2	176.4	-176.8	89.9	0	0	0	111.6	L889 R890	W882-L889 WeakPolarHBondContact CA-O 3.45Å; W882-R890 VanDerWaalsContact CZ2-NH2 3.3Å
883	G	91.1	Very high	91.5	Very high	4 Å²	4	44.8 Å²	44.8	4%	0.041	24%	0.237	C	C	.	.	S	Bend	trans	153.6	-175.2	173.5	0	0	0	0	0	114	S881 E888 L889 R890 N910	S881-G883 PolarHBondContact O-N 2.73Å; G883-E888 VanDerWaalsContact C-CB 3.44Å; G883-E888 VanDerWaalsContact C-OE2 3.28Å; G883-E888 WeakPolarHBondContact CA-OE2 3.31Å; G883-L889 PolarHBondContact N-O 2.96Å; G883-L889 VanDerWaalsContact N-O 3.16Å; G883-L889 CarbonylContact O-C 3.49Å; G883-R890 WeakPolarHBondContact O-CG 3.48Å; G883-N910 PolarHBondContact O-ND2 3.03Å
884	S	90.1	Very high	91.7	Very high	68 Å²	68	44.3 Å²	44.3	48%	0.476	23%	0.232	S	C	.	.	S	Bend	trans	-114.5	-3.3	-177.3	58.3	0	0	0	0	113.5	E888 N910 R912	S884-E888 PolarHBondContact N-OE2 3.19Å; S884-N910 WeakPolarHBondContact CB-OD1 3.49Å; S884-R912 PolarHBondContact O-NH1 2.8Å; S884-R912 PolarHBondContact O-NH2 3.29Å; S884-R912 VanDerWaalsContact O-NH2 3.16Å
885	G	89.5	Confident	91.9	Very high	27 Å²	27	39.4 Å²	39.4	28%	0.278	21%	0.214	S	C	.	.	S	Bend	trans	-71.5	-174.8	173.8	0	0	0	0	0	113.4	E888 R912	G885-E888 WeakPolarHBondContact CA-OE2 3.35Å; G885-E888 PolarHBondContact N-OE2 2.85Å; G885-E888 PolarHBondContact O-N 3.42Å; G885-R912 PolarHBondContact O-NH2 3.14Å
886	D	87.3	Confident	92.1	Very high	95 Å²	95	38.6 Å²	38.6	51%	0.508	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	124.7	-174.7	-72.3	3.7	0	0	0	110.9	M639 K642 E888	M639-D886 HydrophobicContact CE-CB 3.56Å; M639-D886 VanDerWaalsContact CE-CG 3.49Å; M639-D886 WeakPolarHBondContact CE-OD2 3.31Å; M639-D886 HydrophobicContact SD-CB 3.88Å; K642-D886 WeakPolarHBondContact CD-OD1 3.31Å; K642-D886 WeakPolarHBondContact CE-OD1 3.22Å; K642-D886 IonicContact NZ-OD1 2.97Å; K642-D886 PolarHBondContact NZ-OD1 2.82Å; K642-D886 IonicContact NZ-OD2 3.98Å; K642-D886 PolarHBondContact NZ-OD2 3.47Å; D886-E888 PolarHBondContact O-N 2.76Å
887	G	85.3	Confident	92.2	Very high	13 Å²	13	37.2 Å²	37.2	13%	0.134	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-9.1	-170.1	0	0	0	0	0	114.4	Q914	G887-Q914 VanDerWaalsContact N-OE1 3.16Å
888	E	92.1	Very high	92.1	Very high	68 Å²	68	37.1 Å²	37.1	32%	0.318	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	147.1	169.8	-57.6	179.5	166.7	0	0	110.4	S881 G883 S884 G885 D886 R912 Q914	S881-E888 CarbonylContact O-C 3.55Å; S881-E888 VanDerWaalsContact O-CA 3.27Å; S881-E888 WeakPolarHBondContact O-CA 3.1Å; G883-E888 VanDerWaalsContact C-CB 3.44Å; G883-E888 VanDerWaalsContact C-OE2 3.28Å; G883-E888 WeakPolarHBondContact CA-OE2 3.31Å; S884-E888 PolarHBondContact N-OE2 3.19Å; G885-E888 WeakPolarHBondContact CA-OE2 3.35Å; G885-E888 PolarHBondContact N-OE2 2.85Å; G885-E888 PolarHBondContact O-N 3.42Å; D886-E888 PolarHBondContact O-N 2.76Å; E888-R912 PolarHBondContact O-NH2 2.8Å; E888-Q914 PolarHBondContact O-NE2 3.35Å
889	L	93.8	Very high	91.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.4	-172.4	-59.6	169.9	0	0	0	110.3	S864 V866 S881 W882 G883 I892 V905 D907 F916	S864-L889 WeakPolarHBondContact CB-O 3.45Å; V866-L889 HydrophobicContact CG2-CD1 4.32Å; S881-L889 PolarHBondContact O-N 3.3Å; W882-L889 WeakPolarHBondContact CA-O 3.45Å; G883-L889 PolarHBondContact N-O 2.96Å; G883-L889 VanDerWaalsContact N-O 3.16Å; G883-L889 CarbonylContact O-C 3.49Å; L889-I892 HydrophobicContact CD1-CD1 4.31Å; L889-V905 HydrophobicContact CD2-CG2 3.85Å; L889-D907 HydrophobicContact CD2-CB 4.32Å; L889-F916 HydrophobicContact CD2-CE2 4.45Å; L889-F916 HydrophobicContact CD2-CZ 4.39Å
890	R	92.7	Very high	91.3	Very high	68 Å²	68	40.8 Å²	40.8	26%	0.257	23%	0.232	S	C	.	.	S	Bend	trans	-138	118.3	168.6	-74.4	-177.5	176	170.1	-0.1	111.2	W882 G883 I892 D907 E909	W882-R890 VanDerWaalsContact CZ2-NH2 3.3Å; G883-R890 WeakPolarHBondContact O-CG 3.48Å; R890-I892 PolarHBondContact O-N 3.02Å; R890-D907 PolarHBondContact N-OD1 2.95Å; R890-D907 VanDerWaalsContact O-OD1 3.14Å; R890-E909 HydrophobicContact CB-CB 3.68Å; R890-E909 PolarHBondContact O-N 2.95Å
891	A	90.2	Very high	91.1	Very high	9 Å²	9	39.3 Å²	39.3	7%	0.074	22%	0.217	C	C	.	.	S	Bend	trans	49.5	58.2	-179.7	0	0	0	0	0	112.8	E893 R908 E909	A891-E893 PolarHBondContact O-N 3.34Å; A891-R908 VanDerWaalsContact O-CB 3.28Å; A891-R908 WeakPolarHBondContact O-CB 3.28Å; A891-E909 HydrophobicContact CB-CB 4.5Å; A891-E909 VanDerWaalsContact CB-CD 3.47Å; A891-E909 HydrophobicContact CB-CG 3.85Å; A891-E909 VanDerWaalsContact CB-OE1 3.22Å; A891-E909 WeakPolarHBondContact CB-OE1 3.13Å
892	I	95.3	Very high	91.1	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	131.9	176.1	-175.8	174.1	0	0	0	110.6	A859 S861 V866 L889 R890 V905 S906	A859-I892 HydrophobicContact CB-CB 4.35Å; A859-I892 HydrophobicContact CB-CD1 3.68Å; A859-I892 HydrophobicContact CB-CG1 3.73Å; A859-I892 HydrophobicContact CB-CG2 3.84Å; S861-I892 VanDerWaalsContact CB-O 3.25Å; S861-I892 WeakPolarHBondContact CB-O 3.36Å; S861-I892 PolarHBondContact OG-O 3.04Å; V866-I892 HydrophobicContact CG2-CD1 3.59Å; L889-I892 HydrophobicContact CD1-CD1 4.31Å; R890-I892 PolarHBondContact O-N 3.02Å; I892-V905 HydrophobicContact CD1-CB 3.56Å; I892-V905 HydrophobicContact CD1-CG1 3.56Å; I892-V905 HydrophobicContact CD1-CG2 4.35Å; I892-V905 HydrophobicContact CG1-CB 4.18Å; I892-S906 WeakPolarHBondContact CA-O 3.34Å
893	E	96.1	Very high	91.1	Very high	1 Å²	1	30 Å²	30	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-71.9	-175.6	-77.6	-75.9	153.6	0	0	111.8	R657 W752 F800 K846 G847 A891 S906 R908	R657-E893 HydrophobicContact CB-CB 4.35Å; R657-E893 HydrophobicContact CB-CG 4.46Å; R657-E893 HydrophobicContact CG-CB 4.49Å; R657-E893 HydrophobicContact CG-CG 4.07Å; R657-E893 IonicContact NH1-OE1 2.74Å; R657-E893 PolarHBondContact NH1-OE1 2.97Å; R657-E893 IonicContact NH1-OE2 3.17Å; R657-E893 PolarHBondContact NH1-OE2 3.2Å; R657-E893 VanDerWaalsContact NH1-OE2 3.07Å; W752-E893 WeakPolarHBondContact CZ2-OE2 3.43Å; F800-E893 WeakPolarHBondContact CE2-O 3.44Å; K846-E893 VanDerWaalsContact CB-O 3.31Å; K846-E893 WeakPolarHBondContact CB-O 3.49Å; K846-E893 IonicContact NZ-OE1 3.43Å; K846-E893 PolarHBondContact NZ-OE1 3.31Å; G847-E893 VanDerWaalsContact CA-O 3.23Å; G847-E893 WeakPolarHBondContact CA-O 3.2Å; G847-E893 PolarHBondContact N-O 2.81Å; A891-E893 PolarHBondContact O-N 3.34Å; E893-S906 PolarHBondContact N-O 2.92Å; E893-R908 HydrophobicContact CG-CB 3.57Å; E893-R908 HydrophobicContact CG-CG 3.9Å; E893-R908 WeakPolarHBondContact OE1-CD 3.2Å; E893-R908 IonicContact OE1-NE 2.74Å
894	D	97.2	Very high	91.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	158.7	-178.7	-155.1	1.9	0	0	0	111.3	R657 L659 F800 R896 S906	R657-D894 WeakPolarHBondContact O-CB 3.42Å; L659-D894 HydrophobicContact CB-CB 4.24Å; L659-D894 HydrophobicContact CG-CB 4.19Å; L659-D894 PolarHBondContact N-OD2 3.03Å; F800-D894 HydrophobicContact CD1-CB 4.47Å; F800-D894 HydrophobicContact CE1-CB 3.71Å; F800-D894 WeakPolarHBondContact CE1-OD2 3.2Å; F800-D894 HydrophobicContact CZ-CB 3.75Å; D894-R896 VanDerWaalsContact CG-NH1 3.33Å; D894-R896 IonicContact OD1-CZ 2.84Å; D894-R896 IonicContact OD1-NH1 3.29Å; D894-R896 PolarHBondContact OD1-NH1 2.89Å; D894-R896 IonicContact OD1-NH2 2.8Å; D894-R896 IonicContact OD2-CZ 3.06Å; D894-R896 IonicContact OD2-NH1 2.9Å; D894-R896 PolarHBondContact OD2-NH1 3.28Å; D894-R896 IonicContact OD2-NH2 3.39Å; D894-R896 PolarHBondContact OD2-NH2 2.96Å; D894-S906 PolarHBondContact O-N 2.97Å
895	I	96.4	Very high	91.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	138	-179.8	-175	162.8	0	0	0	109.4	G847 A849 F857 A859 V866 I903 I904 V905	G847-I895 VanDerWaalsContact C-CG2 3.44Å; G847-I895 WeakPolarHBondContact O-CG2 3.44Å; A849-I895 HydrophobicContact CB-CG2 4.06Å; A849-I895 WeakPolarHBondContact CB-O 3.5Å; F857-I895 HydrophobicContact CB-CD1 3.84Å; F857-I895 HydrophobicContact CB-CG1 4.45Å; A859-I895 HydrophobicContact CB-CB 4.47Å; A859-I895 HydrophobicContact CB-CG2 4.35Å; V866-I895 HydrophobicContact CB-CD1 4.39Å; V866-I895 HydrophobicContact CG1-CD1 3.45Å; V866-I895 VanDerWaalsContact CG1-CD1 3.45Å; V866-I895 HydrophobicContact CG2-CD1 3.97Å; I895-I903 HydrophobicContact CD1-CG2 3.6Å; I895-I903 HydrophobicContact CG1-CG2 3.81Å; I895-I904 CarbonylContact C-O 3.58Å; I895-I904 WeakPolarHBondContact CA-O 3.48Å; I895-V905 HydrophobicContact CB-CG1 4.48Å; I895-V905 HydrophobicContact CD1-CG1 4.03Å; I895-V905 HydrophobicContact CG1-CG1 4.01Å
896	R	96	Very high	91.9	Very high	37 Å²	37	25.3 Å²	25.3	14%	0.14	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	148.1	172.3	-71.2	-65.8	179.3	-80.6	-13.9	110.3	L659 L661 I707 D894 I904	L659-R896 HydrophobicContact CB-CG 3.86Å; L659-R896 PolarHBondContact O-NE 2.98Å; L659-R896 PolarHBondContact O-NH2 2.94Å; L661-R896 HydrophobicContact CD1-CB 4.11Å; L661-R896 HydrophobicContact CG-CB 4.15Å; I707-R896 PolarHBondContact O-NH2 3.2Å; D894-R896 VanDerWaalsContact CG-NH1 3.33Å; D894-R896 IonicContact OD1-CZ 2.84Å; D894-R896 IonicContact OD1-NH1 3.29Å; D894-R896 PolarHBondContact OD1-NH1 2.89Å; D894-R896 IonicContact OD1-NH2 2.8Å; D894-R896 IonicContact OD2-CZ 3.06Å; D894-R896 IonicContact OD2-NH1 2.9Å; D894-R896 PolarHBondContact OD2-NH1 3.28Å; D894-R896 IonicContact OD2-NH2 3.39Å; D894-R896 PolarHBondContact OD2-NH2 2.96Å; R896-I904 PolarHBondContact N-O 3.47Å; R896-I904 PolarHBondContact O-N 3.35Å
897	V	93.4	Very high	92.3	Very high	19 Å²	19	20.8 Å²	20.8	12%	0.115	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.8	179.7	-174.3	0	0	0	0	108.5	L661 A849 D851 F857 L902 I903	L661-V897 WeakPolarHBondContact CD1-O 3.34Å; A849-V897 HydrophobicContact CB-CG2 4.11Å; D851-V897 HydrophobicContact CB-CG1 4.11Å; F857-V897 HydrophobicContact CB-CG2 4.3Å; F857-V897 HydrophobicContact CD1-CG2 4.04Å; F857-V897 HydrophobicContact CD2-CG2 3.69Å; F857-V897 HydrophobicContact CE1-CG2 4.33Å; F857-V897 HydrophobicContact CE2-CG2 4.02Å; F857-V897 HydrophobicContact CG-CG2 3.73Å; F857-V897 HydrophobicContact CZ-CG2 4.33Å; V897-L902 WeakPolarHBondContact CA-O 3.32Å; V897-I903 HydrophobicContact CG2-CG1 4.36Å; V897-I903 HydrophobicContact CG2-CG2 4.49Å
898	T	90.6	Very high	92.8	Very high	12 Å²	12	22 Å²	22	7%	0.074	11%	0.114	C	C	.	.			trans	-86.7	167.3	175.4	58.2	0	0	0	0	111.1	L661 I683 D900 G901 L902 I904	L661-T898 HydrophobicContact CD1-CG2 3.6Å; L661-T898 HydrophobicContact CD2-CG2 4.11Å; I683-T898 HydrophobicContact CD1-CG2 3.89Å; T898-D900 VanDerWaalsContact C-N 3.3Å; T898-D900 WeakPolarHBondContact CB-OD1 3.5Å; T898-D900 PolarHBondContact O-N 3.2Å; T898-D900 PolarHBondContact OG1-OD1 2.99Å; T898-G901 VanDerWaalsContact O-CA 3.25Å; T898-G901 WeakPolarHBondContact O-CA 3.37Å; T898-G901 PolarHBondContact O-N 2.91Å; T898-L902 HydrophobicContact CG2-CB 4.34Å; T898-L902 PolarHBondContact N-O 3.4Å; T898-L902 WeakPolarHBondContact OG1-CA 3.26Å; T898-L902 VanDerWaalsContact OG1-CB 3.27Å; T898-L902 WeakPolarHBondContact OG1-CB 3.3Å; T898-L902 PolarHBondContact OG1-N 2.72Å; T898-L902 PolarHBondContact OG1-O 3.48Å; T898-I904 HydrophobicContact CG2-CD1 4.26Å
899	S	84.5	Confident	92.9	Very high	86 Å²	86	22.8 Å²	22.8	60%	0.601	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-27	179.2	55	0	0	0	0	113.9	E852 G901	E852-S899 WeakPolarHBondContact OE1-CB 3.32Å; S899-G901 PolarHBondContact O-N 3Å
900	D	82.8	Confident	92.9	Very high	90 Å²	90	24 Å²	24	48%	0.481	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	0.7	168.7	63.8	-32.6	0	0	0	112.9	K636 T898 L902	K636-D900 PolarHBondContact NZ-O 3.18Å; T898-D900 VanDerWaalsContact C-N 3.3Å; T898-D900 WeakPolarHBondContact CB-OD1 3.5Å; T898-D900 PolarHBondContact O-N 3.2Å; T898-D900 PolarHBondContact OG1-OD1 2.99Å; D900-L902 VanDerWaalsContact OD2-CD1 3.29Å; D900-L902 WeakPolarHBondContact OD2-CD1 3.33Å; D900-L902 WeakPolarHBondContact OD2-CG 3.42Å
901	G	85.1	Confident	93.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.			trans	79.7	14.7	173.1	0	0	0	0	0	115.1	N631 K636 T898 S899 I903	N631-G901 VanDerWaalsContact ND2-CA 3.32Å; N631-G901 WeakPolarHBondContact ND2-CA 3.2Å; K636-G901 PolarHBondContact NZ-O 3.15Å; T898-G901 VanDerWaalsContact O-CA 3.25Å; T898-G901 WeakPolarHBondContact O-CA 3.37Å; T898-G901 PolarHBondContact O-N 2.91Å; S899-G901 PolarHBondContact O-N 3Å; G901-I903 PolarHBondContact O-N 2.97Å
902	L	90.3	Very high	93.3	Very high	32 Å²	32	22.3 Å²	22.3	17%	0.168	12%	0.116	C	C	.	.			trans	-62.8	134.2	170.7	-61.1	171.3	0	0	0	108.5	I640 I683 V897 T898 D900 V915 F916	I640-L902 HydrophobicContact CD1-CD2 3.62Å; I683-L902 HydrophobicContact CD1-CD1 4.47Å; I683-L902 HydrophobicContact CG1-CD1 4.21Å; V897-L902 WeakPolarHBondContact CA-O 3.32Å; T898-L902 HydrophobicContact CG2-CB 4.34Å; T898-L902 PolarHBondContact N-O 3.4Å; T898-L902 WeakPolarHBondContact OG1-CA 3.26Å; T898-L902 VanDerWaalsContact OG1-CB 3.27Å; T898-L902 WeakPolarHBondContact OG1-CB 3.3Å; T898-L902 PolarHBondContact OG1-N 2.72Å; T898-L902 PolarHBondContact OG1-O 3.48Å; D900-L902 VanDerWaalsContact OD2-CD1 3.29Å; D900-L902 WeakPolarHBondContact OD2-CD1 3.33Å; D900-L902 WeakPolarHBondContact OD2-CG 3.42Å; L902-V915 HydrophobicContact CB-CG1 3.96Å; L902-V915 HydrophobicContact CD1-CG1 4.47Å; L902-V915 HydrophobicContact CD2-CG1 4.31Å; L902-V915 HydrophobicContact CG-CG1 4.49Å; L902-F916 WeakPolarHBondContact CA-O 3.29Å
903	I	93	Very high	93.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	114.6	-179.7	-53.1	166.8	0	0	0	107.5	Y633 F857 F879 I895 V897 G901 V905 V915 F916	Y633-I903 HydrophobicContact CD1-CD1 4.26Å; F857-I903 HydrophobicContact CD1-CD1 3.95Å; F857-I903 HydrophobicContact CD1-CG1 4.3Å; F857-I903 HydrophobicContact CE1-CD1 3.55Å; F857-I903 HydrophobicContact CE1-CG1 4Å; F879-I903 HydrophobicContact CE1-CD1 3.77Å; F879-I903 HydrophobicContact CZ-CD1 3.77Å; F879-I903 HydrophobicContact CZ-CG2 4.23Å; I895-I903 HydrophobicContact CD1-CG2 3.6Å; I895-I903 HydrophobicContact CG1-CG2 3.81Å; V897-I903 HydrophobicContact CG2-CG1 4.36Å; V897-I903 HydrophobicContact CG2-CG2 4.49Å; G901-I903 PolarHBondContact O-N 2.97Å; I903-V905 HydrophobicContact CG2-CG1 4.16Å; I903-V915 CarbonylContact O-C 3.54Å; I903-V915 VanDerWaalsContact O-CA 3.3Å; I903-V915 WeakPolarHBondContact O-CA 3.43Å; I903-F916 HydrophobicContact CB-CB 4.23Å; I903-F916 PolarHBondContact N-O 3.1Å; I903-F916 PolarHBondContact O-N 3.42Å
904	I	95.3	Very high	93.3	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.9	-179.1	-48.5	-177	0	0	0	108.2	L659 L661 V668 I683 I895 R896 T898 I913 Q914 V915	L659-I904 HydrophobicContact CD1-CG2 4.1Å; L661-I904 HydrophobicContact CD2-CD1 3.82Å; V668-I904 HydrophobicContact CG1-CD1 4.35Å; V668-I904 HydrophobicContact CG1-CG2 4.39Å; V668-I904 HydrophobicContact CG2-CD1 3.62Å; I683-I904 HydrophobicContact CD1-CD1 3.61Å; I895-I904 CarbonylContact C-O 3.58Å; I895-I904 WeakPolarHBondContact CA-O 3.48Å; R896-I904 PolarHBondContact N-O 3.47Å; R896-I904 PolarHBondContact O-N 3.35Å; T898-I904 HydrophobicContact CG2-CD1 4.26Å; I904-I913 HydrophobicContact CG2-CG2 3.53Å; I904-Q914 WeakPolarHBondContact CA-O 3.38Å; I904-V915 HydrophobicContact CG1-CG1 4.25Å; I904-V915 HydrophobicContact CG1-CG2 4.21Å; I904-V915 HydrophobicContact CG2-CG2 4.3Å
905	V	96.1	Very high	93.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.4	-177.6	-58.9	0	0	0	0	111.8	V866 L889 I892 I895 I903 I913 Q914 F916	V866-V905 HydrophobicContact CG2-CG1 3.96Å; L889-V905 HydrophobicContact CD2-CG2 3.85Å; I892-V905 HydrophobicContact CD1-CB 3.56Å; I892-V905 HydrophobicContact CD1-CG1 3.56Å; I892-V905 HydrophobicContact CD1-CG2 4.35Å; I892-V905 HydrophobicContact CG1-CB 4.18Å; I895-V905 HydrophobicContact CB-CG1 4.48Å; I895-V905 HydrophobicContact CD1-CG1 4.03Å; I895-V905 HydrophobicContact CG1-CG1 4.01Å; I903-V905 HydrophobicContact CG2-CG1 4.16Å; V905-I913 WeakPolarHBondContact O-CA 3.16Å; V905-I913 WeakPolarHBondContact O-CG2 3.46Å; V905-Q914 HydrophobicContact CG2-CB 3.78Å; V905-Q914 PolarHBondContact N-O 2.97Å; V905-Q914 PolarHBondContact O-N 2.76Å; V905-Q914 VanDerWaalsContact O-N 3.07Å; V905-F916 HydrophobicContact CG2-CD2 4.19Å; V905-F916 HydrophobicContact CG2-CE2 3.62Å
906	S	96.7	Very high	92.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	109.5	173	-175.3	0	0	0	0	110	P656 R657 I892 E893 D894 R908	P656-S906 PolarHBondContact O-OG 2.87Å; R657-S906 WeakPolarHBondContact O-CB 3.1Å; R657-S906 PolarHBondContact O-OG 3.01Å; R657-S906 VanDerWaalsContact O-OG 3.1Å; I892-S906 WeakPolarHBondContact CA-O 3.34Å; E893-S906 PolarHBondContact N-O 2.92Å; D894-S906 PolarHBondContact O-N 2.97Å; S906-R908 PolarHBondContact O-N 3.31Å
907	D	95.7	Very high	92.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	83.2	-176.7	-172.4	5.2	0	0	0	109.1	L889 R890 E909 N910 H911 R912 Q914	L889-D907 HydrophobicContact CD2-CB 4.32Å; R890-D907 PolarHBondContact N-OD1 2.95Å; R890-D907 VanDerWaalsContact O-OD1 3.14Å; D907-E909 PolarHBondContact O-N 3.04Å; D907-N910 HydrophobicContact CB-CB 4.5Å; D907-N910 VanDerWaalsContact CG-ND2 3.33Å; D907-N910 CarbonylContact O-C 3.55Å; D907-N910 PolarHBondContact O-N 3.15Å; D907-N910 PolarHBondContact OD1-ND2 2.97Å; D907-N910 VanDerWaalsContact OD1-ND2 3.1Å; D907-N910 WeakPolarHBondContact OD2-CB 3.4Å; D907-N910 PolarHBondContact OD2-ND2 2.62Å; D907-H911 PolarHBondContact O-N 3.1Å; D907-R912 WeakPolarHBondContact CA-O 3.12Å; D907-R912 HydrophobicContact CB-CG 3.91Å; D907-R912 WeakPolarHBondContact CB-O 3.5Å; D907-R912 PolarHBondContact N-O 2.88Å; D907-R912 PolarHBondContact O-N 2.85Å; D907-R912 IonicContact OD2-CZ 2.8Å; D907-R912 IonicContact OD2-NE 3.8Å; D907-R912 PolarHBondContact OD2-NE 3.16Å; D907-R912 IonicContact OD2-NH2 2.88Å; D907-R912 PolarHBondContact OD2-NH2 3.41Å; D907-Q914 PolarHBondContact OD2-NE2 3.19Å
908	R	95.4	Very high	92.6	Very high	40 Å²	40	22.1 Å²	22.1	15%	0.151	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-50.5	-163.6	-174.8	-167.2	71.1	108.7	-7.2	113.5	W655 A891 E893 S906 H911	W655-R908 HydrophobicContact CB-CG 3.86Å; W655-R908 HydrophobicContact CG-CG 4.15Å; A891-R908 VanDerWaalsContact O-CB 3.28Å; A891-R908 WeakPolarHBondContact O-CB 3.28Å; E893-R908 HydrophobicContact CG-CB 3.57Å; E893-R908 HydrophobicContact CG-CG 3.9Å; E893-R908 WeakPolarHBondContact OE1-CD 3.2Å; E893-R908 IonicContact OE1-NE 2.74Å; S906-R908 PolarHBondContact O-N 3.31Å; R908-H911 PolarHBondContact O-N 3.48Å
909	E	93.7	Very high	92.8	Very high	84 Å²	84	22.6 Å²	22.6	39%	0.393	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-24.1	-174	-78.8	174.8	-163.3	0	0	112.7	R890 A891 D907 H911	R890-E909 HydrophobicContact CB-CB 3.68Å; R890-E909 PolarHBondContact O-N 2.95Å; A891-E909 HydrophobicContact CB-CB 4.5Å; A891-E909 VanDerWaalsContact CB-CD 3.47Å; A891-E909 HydrophobicContact CB-CG 3.85Å; A891-E909 VanDerWaalsContact CB-OE1 3.22Å; A891-E909 WeakPolarHBondContact CB-OE1 3.13Å; D907-E909 PolarHBondContact O-N 3.04Å; E909-H911 PolarHBondContact O-CD2 3.34Å
910	N	94.8	Very high	93.2	Very high	25 Å²	25	18.9 Å²	18.9	13%	0.134	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	0.7	169.3	-67.5	-40	0	0	0	112.7	G883 S884 D907 R912	G883-N910 PolarHBondContact O-ND2 3.03Å; S884-N910 WeakPolarHBondContact CB-OD1 3.49Å; D907-N910 HydrophobicContact CB-CB 4.5Å; D907-N910 VanDerWaalsContact CG-ND2 3.33Å; D907-N910 CarbonylContact O-C 3.55Å; D907-N910 PolarHBondContact O-N 3.15Å; D907-N910 PolarHBondContact OD1-ND2 2.97Å; D907-N910 VanDerWaalsContact OD1-ND2 3.1Å; D907-N910 WeakPolarHBondContact OD2-CB 3.4Å; D907-N910 PolarHBondContact OD2-ND2 2.62Å; N910-R912 VanDerWaalsContact C-N 3.3Å; N910-R912 HydrophobicContact CB-CG 3.93Å; N910-R912 PolarHBondContact O-N 2.97Å
911	H	96.1	Very high	93.9	Very high	17 Å²	17	14.4 Å²	14.4	8%	0.079	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	39.6	175.8	-58.2	-89.3	0	0	0	113.8	G644 H645 K646 N654 W655 D907 R908 E909	G644-H911 CarbonylContact C-O 3.59Å; H645-H911 CarbonylContact C-O 3.46Å; H645-H911 VanDerWaalsContact CA-O 3.3Å; H645-H911 WeakPolarHBondContact CA-O 3.44Å; H645-H911 PolarHBondContact N-O 2.88Å; K646-H911 HydrophobicContact CB-CB 3.92Å; N654-H911 PolarHBondContact OD1-CE1 2.89Å; W655-H911 AromaticContact CD1-CE1 3.35Å; W655-H911 AromaticContact CD1-ND1 3.9Å; W655-H911 PolarHBondContact N-ND1 2.87Å; W655-H911 AromaticContact NE1-CE1 3.6Å; D907-H911 PolarHBondContact O-N 3.1Å; R908-H911 PolarHBondContact O-N 3.48Å; E909-H911 PolarHBondContact O-CD2 3.34Å
912	R	95.5	Very high	94.5	Very high	24 Å²	24	15.4 Å²	15.4	9%	0.091	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	166.9	-173.2	68.7	-174.8	178.7	-177.1	1.5	112.5	G644 S884 G885 E888 D907 N910 Q914	G644-R912 WeakPolarHBondContact O-CB 3.22Å; S884-R912 PolarHBondContact O-NH1 2.8Å; S884-R912 PolarHBondContact O-NH2 3.29Å; S884-R912 VanDerWaalsContact O-NH2 3.16Å; G885-R912 PolarHBondContact O-NH2 3.14Å; E888-R912 PolarHBondContact O-NH2 2.8Å; D907-R912 WeakPolarHBondContact CA-O 3.12Å; D907-R912 HydrophobicContact CB-CG 3.91Å; D907-R912 WeakPolarHBondContact CB-O 3.5Å; D907-R912 PolarHBondContact N-O 2.88Å; D907-R912 PolarHBondContact O-N 2.85Å; D907-R912 IonicContact OD2-CZ 2.8Å; D907-R912 IonicContact OD2-NE 3.8Å; D907-R912 PolarHBondContact OD2-NE 3.16Å; D907-R912 IonicContact OD2-NH2 2.88Å; D907-R912 PolarHBondContact OD2-NH2 3.41Å; N910-R912 VanDerWaalsContact C-N 3.3Å; N910-R912 HydrophobicContact CB-CG 3.93Å; N910-R912 PolarHBondContact O-N 2.97Å; R912-Q914 HydrophobicContact CG-CG 4.47Å
913	I	96.7	Very high	94.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	136.7	170.3	-55	-55	0	0	0	108.3	K642 F643 F653 P656 L659 I670 I904 V905	K642-I913 WeakPolarHBondContact CA-O 3.35Å; F643-I913 HydrophobicContact CD1-CB 4.44Å; F643-I913 HydrophobicContact CD2-CB 4.32Å; F643-I913 HydrophobicContact CE1-CB 3.97Å; F643-I913 HydrophobicContact CE1-CG2 3.82Å; F643-I913 HydrophobicContact CE2-CB 3.84Å; F643-I913 HydrophobicContact CE2-CG1 3.99Å; F643-I913 HydrophobicContact CE2-CG2 4.28Å; F643-I913 HydrophobicContact CZ-CB 3.65Å; F643-I913 HydrophobicContact CZ-CG1 4.16Å; F643-I913 HydrophobicContact CZ-CG2 3.59Å; F643-I913 PolarHBondContact N-O 3.47Å; F643-I913 PolarHBondContact O-N 3.1Å; F653-I913 HydrophobicContact CE2-CG1 4.02Å; F653-I913 HydrophobicContact CZ-CG1 4.06Å; P656-I913 HydrophobicContact CB-CD1 4.07Å; P656-I913 HydrophobicContact CG-CD1 4.32Å; L659-I913 HydrophobicContact CD2-CD1 3.9Å; I670-I913 HydrophobicContact CD1-CG1 4.11Å; I670-I913 HydrophobicContact CG1-CD1 4.21Å; I670-I913 HydrophobicContact CG1-CG1 4.14Å; I670-I913 HydrophobicContact CG2-CD1 4.11Å; I904-I913 HydrophobicContact CG2-CG2 3.53Å; V905-I913 WeakPolarHBondContact O-CA 3.16Å; V905-I913 WeakPolarHBondContact O-CG2 3.46Å
914	Q	94.3	Very high	94.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	146.6	174.6	-66.1	-171.1	62	0	0	110.6	M639 K642 G887 E888 I904 V905 D907 R912 F916	M639-Q914 HydrophobicContact SD-CG 4.4Å; M639-Q914 PolarHBondContact SD-OE1 2.69Å; K642-Q914 HydrophobicContact CB-CG 4.16Å; G887-Q914 VanDerWaalsContact N-OE1 3.16Å; E888-Q914 PolarHBondContact O-NE2 3.35Å; I904-Q914 WeakPolarHBondContact CA-O 3.38Å; V905-Q914 HydrophobicContact CG2-CB 3.78Å; V905-Q914 PolarHBondContact N-O 2.97Å; V905-Q914 PolarHBondContact O-N 2.76Å; V905-Q914 VanDerWaalsContact O-N 3.07Å; D907-Q914 PolarHBondContact OD2-NE2 3.19Å; R912-Q914 HydrophobicContact CG-CG 4.47Å; Q914-F916 HydrophobicContact CB-CD2 4.44Å; Q914-F916 HydrophobicContact CB-CE2 3.73Å; Q914-F916 HydrophobicContact CB-CZ 4.32Å
915	V	93.5	Very high	94.9	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.024	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.5	177.7	-172.6	0	0	0	0	108.9	I640 L641 F643 L902 I903 I904	I640-V915 PolarHBondContact N-O 3.21Å; L641-V915 HydrophobicContact CB-CB 4.12Å; L641-V915 HydrophobicContact CB-CG2 4.31Å; L641-V915 HydrophobicContact CD2-CG2 4.22Å; L641-V915 PolarHBondContact N-O 3.09Å; L641-V915 PolarHBondContact O-N 2.88Å; F643-V915 HydrophobicContact CE1-CG2 4.3Å; L902-V915 HydrophobicContact CB-CG1 3.96Å; L902-V915 HydrophobicContact CD1-CG1 4.47Å; L902-V915 HydrophobicContact CD2-CG1 4.31Å; L902-V915 HydrophobicContact CG-CG1 4.49Å; I903-V915 CarbonylContact O-C 3.54Å; I903-V915 VanDerWaalsContact O-CA 3.3Å; I903-V915 WeakPolarHBondContact O-CA 3.43Å; I904-V915 HydrophobicContact CG1-CG1 4.25Å; I904-V915 HydrophobicContact CG1-CG2 4.21Å; I904-V915 HydrophobicContact CG2-CG2 4.3Å
916	F	90.2	Very high	94.8	Very high	4 Å²	4	18 Å²	18	2%	0.018	8%	0.081	C	C	.	.			trans	-121.9	0	-175.9	-66.5	-95	0	0	0	112.5	K636 M639 I640 F879 L889 L902 I903 V905 Q914	K636-F916 WeakPolarHBondContact O-CB 3.19Å; M639-F916 HydrophobicContact CB-CD1 4.23Å; M639-F916 HydrophobicContact CB-CE1 3.97Å; M639-F916 HydrophobicContact CB-CZ 4.45Å; I640-F916 WeakPolarHBondContact CD1-OXT 3.29Å; F879-F916 AromaticContact CD2-CD1 3.93Å; F879-F916 HydrophobicContact CD2-CD1 3.93Å; F879-F916 AromaticContact CD2-CE1 3.96Å; F879-F916 HydrophobicContact CD2-CE1 3.96Å; F879-F916 HydrophobicContact CD2-CG 4.38Å; F879-F916 HydrophobicContact CD2-CZ 4.43Å; F879-F916 HydrophobicContact CE2-CB 4.14Å; F879-F916 AromaticContact CE2-CD1 3.61Å; F879-F916 HydrophobicContact CE2-CD1 3.61Å; F879-F916 AromaticContact CE2-CD2 3.84Å; F879-F916 HydrophobicContact CE2-CD2 3.84Å; F879-F916 AromaticContact CE2-CE1 3.86Å; F879-F916 HydrophobicContact CE2-CE1 3.86Å; F879-F916 HydrophobicContact CE2-CE2 4.08Å; F879-F916 AromaticContact CE2-CG 3.6Å; F879-F916 HydrophobicContact CE2-CG 3.6Å; F879-F916 HydrophobicContact CE2-CZ 4.09Å; F879-F916 HydrophobicContact CZ-CB 4.31Å; F879-F916 HydrophobicContact CZ-CD2 4.48Å; F879-F916 HydrophobicContact CZ-CG 4.23Å; L889-F916 HydrophobicContact CD2-CE2 4.45Å; L889-F916 HydrophobicContact CD2-CZ 4.39Å; L902-F916 WeakPolarHBondContact CA-O 3.29Å; I903-F916 HydrophobicContact CB-CB 4.23Å; I903-F916 PolarHBondContact N-O 3.1Å; I903-F916 PolarHBondContact O-N 3.42Å; V905-F916 HydrophobicContact CG2-CD2 4.19Å; V905-F916 HydrophobicContact CG2-CE2 3.62Å; Q914-F916 HydrophobicContact CB-CD2 4.44Å; Q914-F916 HydrophobicContact CB-CE2 3.73Å; Q914-F916 HydrophobicContact CB-CZ 4.32Å

Retrieved 916 of 916 residues in 348.3 ms (Link to these results)

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