A0A077ZGN6_TRITR Loading...

DNA polymerase III subunit delta

AlphaFold DB , UniProt , Accession A0A077ZGN6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 957 aa.

						>A0A077ZGN6_TRITR|A0A077ZGN6
MKVMILDSGDPNGPLSRAVRNQLRLNGVELLDKETTRKDVPSLRLGAVSISQDTASVFRNGQTAEYQMVMTVSASVLIPGRDIYPISAKVFRSFFDNPQMALAKDNEQEMIIKEMYDRAAEQLIRKLPSIRAADIRSDEEQASTTTDTPATPARVSTTLGLRAAYLLLGNDPLLLQESQDAVRQVAAAQGFEEHHTFSIDPNTDWNAIFSLCQAMSLFASRQTLLLLLPENGPNAAINEQLLTLTGLLHDDLLLIVRGNKLSKAQENAAWFTALANRSVQVTCQTPEQAQLPRWVAARAKQLNLELDDAANQVLCYCYEGNLLALAQALERLSLLWPDGKLTLPRVEQAVNDAAHFTPFHWVDALLMGKSKRALHILQQLRLEGSEPVILLRTLQRELLLLVNLKRQSAHTPLRALFDKHRALFGGTFDPVHYGHLKPVETLANLIGLTRVTIIPNNVPPHRPQPEANSVQRKHMLELAIADKPLFTLDERELKRNAPSYTAQTLKEWRQEQGPDVPLAFIIGQDSLLTFPTWYEYETILDNAHLIVCRRPGYPLEMAQPQYQQWLEDHLTHNPEDLHLQPAGKIYLAETPWFNISATIIRERLQNGESCDDLLPEPGMMRLWLIRHGETQANVDGLYSGHAPTPLTARGIEQAQNLHTLLDDVSFDLVLCSELERAQHTARLVLSDRQLPVHIIPELNEMFFGDWEMRHHRDLMQEDAENYSAWCNDWQHAIPTNGEGFQAFSQRVERFIARLSEYQHYQNILIVSHQGVLSLLIARLIGMPAESMWHFRVDQGCWSAIDINQKFATLRVLNSRAIGKLFYKNGDAICGAGWDDSPLSKADSATIVPKSPLVQGKALQDFVIDKIDDLKGQDIIALDVQGKSSITDCMIICTGTSSRHVMSIADHVVQESRAAGLLPLGVEGENSADWIVVDLGDVIVHVMQEESRRLYELEKLWS
					

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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	61.2	Low	83	Confident	71 Å²	71	55.5 Å²	55.5	35%	0.35	33%	0.327	S	S	.	.				0	152.8	0	-64.7	135.4	174.7	0	0	107.9	P41 I78	M1-P41 HydrophobicContact CE-CB 3.94Å; M1-P41 HydrophobicContact CE-CG 3.89Å; M1-P41 HydrophobicContact CG-CG 4.12Å; M1-P41 HydrophobicContact SD-CB 3.86Å; M1-P41 HydrophobicContact SD-CG 3.95Å; M1-I78 HydrophobicContact CE-CD1 3.79Å; M1-I78 HydrophobicContact CE-CG1 3.78Å
2	K	76	Confident	83.1	Confident	181 Å²	181	60.5 Å²	60.5	79%	0.787	35%	0.351	S	S	*	.			trans	-94.1	-25.9	175.4	-78.9	-166.2	175.6	-173.2	0	113.9	E29	K2-E29 WeakPolarHBondContact O-CB 3.43Å; K2-E29 PolarHBondContact O-N 3.4Å
3	V	84.4	Confident	83.4	Confident	39 Å²	39	56.5 Å²	56.5	24%	0.236	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.7	-178	-171.2	0	0	0	0	107.9	E29 L31 V40	V3-E29 CarbonylContact C-O 3.46Å; V3-E29 WeakPolarHBondContact CA-O 3.26Å; V3-E29 HydrophobicContact CG2-CB 4.3Å; V3-L31 HydrophobicContact CG1-CD1 3.72Å; V3-L31 HydrophobicContact CG1-CD2 3.99Å; V3-L31 HydrophobicContact CG1-CG 3.58Å; V3-V40 HydrophobicContact CG1-CG1 4.15Å
4	M	87.3	Confident	84	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	154.1	-179.3	-156.9	177.1	67.5	0	0	111.7	L23 V28 E29 L30 L31 P41 L43 L127	M4-L23 HydrophobicContact CE-CD1 3.51Å; M4-L23 HydrophobicContact CE-CD2 3.51Å; M4-L23 HydrophobicContact CE-CG 4.18Å; M4-V28 HydrophobicContact CB-CG1 3.75Å; M4-E29 PolarHBondContact N-O 3.22Å; M4-L30 WeakPolarHBondContact O-CA 3.36Å; M4-L31 PolarHBondContact O-N 3.27Å; M4-L31 VanDerWaalsContact O-N 3.09Å; M4-P41 WeakPolarHBondContact CA-O 3.47Å; M4-P41 HydrophobicContact CG-CB 4.35Å; M4-P41 WeakPolarHBondContact CG-O 3.45Å; M4-L43 HydrophobicContact CE-CB 3.43Å; M4-L43 VanDerWaalsContact CE-CB 3.43Å; M4-L43 HydrophobicContact CE-CD2 3.96Å; M4-L43 HydrophobicContact CE-CG 4.35Å; M4-L43 HydrophobicContact SD-CB 3.95Å; M4-L127 HydrophobicContact SD-CD1 4.43Å
5	I	88.7	Confident	84.6	Confident	21 Å²	21	54 Å²	54	11%	0.108	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	140.4	168.4	-64.3	164.3	0	0	0	108.9	L31 V40 P41 S42 L43	I5-L31 HydrophobicContact CG1-CB 4.08Å; I5-V40 HydrophobicContact CD1-CB 4.28Å; I5-V40 HydrophobicContact CG1-CG1 4.27Å; I5-P41 PolarHBondContact N-O 3.25Å; I5-S42 CarbonylContact O-C 3.59Å; I5-S42 VanDerWaalsContact O-CA 3.25Å; I5-S42 WeakPolarHBondContact O-CA 3.47Å; I5-L43 PolarHBondContact O-N 3.11Å
6	L	89.7	Confident	85.1	Confident	23 Å²	23	50.9 Å²	50.9	12%	0.12	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	115.1	170.3	-178.2	67.9	0	0	0	109.8	V19 R20 L30 L43 L45	L6-V19 HydrophobicContact CD1-CG1 3.71Å; L6-V19 HydrophobicContact CD2-CG1 4.27Å; L6-R20 HydrophobicContact CD2-CG 3.41Å; L6-R20 VanDerWaalsContact CD2-CG 3.41Å; L6-L30 HydrophobicContact CB-CD2 3.92Å; L6-L43 HydrophobicContact CD1-CB 4.27Å; L6-L43 HydrophobicContact CD1-CD2 4.01Å; L6-L43 HydrophobicContact CD1-CG 4.06Å; L6-L45 HydrophobicContact CD1-CD1 4.22Å; L6-L45 HydrophobicContact CD1-CD2 4.48Å; L6-L45 HydrophobicContact CD1-CG 4.1Å
7	D	87.8	Confident	85.5	Confident	20 Å²	20	57.8 Å²	57.8	11%	0.107	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.3	174.4	-170.7	17.4	0	0	0	109.9	K33 L43 R44 L45	D7-K33 WeakPolarHBondContact OD1-CE 3.3Å; D7-K33 IonicContact OD1-NZ 3.78Å; D7-K33 PolarHBondContact OD1-NZ 3Å; D7-L43 PolarHBondContact N-O 3.38Å; D7-R44 HydrophobicContact CB-CB 4.2Å; D7-R44 CarbonylContact O-C 3.56Å; D7-R44 WeakPolarHBondContact O-CA 3.43Å; D7-R44 IonicContact OD2-CZ 2.78Å; D7-R44 VanDerWaalsContact OD2-CZ 3.23Å; D7-R44 IonicContact OD2-NE 3.56Å; D7-R44 PolarHBondContact OD2-NE 3.05Å; D7-R44 IonicContact OD2-NH2 3.94Å; D7-R44 PolarHBondContact OD2-NH2 3.49Å; D7-L45 PolarHBondContact O-N 3.05Å
8	S	87.6	Confident	85.9	Confident	20 Å²	20	54.9 Å²	54.9	14%	0.14	31%	0.305	C	S	.	.			trans	-157.9	142	-179	-176.1	0	0	0	0	110.8	D10 S16	S8-D10 VanDerWaalsContact C-N 3.3Å; S8-D10 PolarHBondContact OG-N 2.79Å; S8-D10 PolarHBondContact OG-O 3.17Å; S8-S16 PolarHBondContact OG-OG 3.35Å
9	G	81.6	Confident	86.3	Confident	84 Å²	84	52 Å²	52	87%	0.866	29%	0.289	S	S	*	.	S	Bend	trans	-69.6	-26	174	0	0	0	0	0	113.6
10	D	86.1	Confident	86.5	Confident	86 Å²	86	53.8 Å²	53.8	46%	0.46	29%	0.291	S	S	.	.			trans	-122.3	94.1	168.5	176.8	1.9	0	0	0	109.5	S8 N12 G13 S16	S8-D10 VanDerWaalsContact C-N 3.3Å; S8-D10 PolarHBondContact OG-N 2.79Å; S8-D10 PolarHBondContact OG-O 3.17Å; D10-N12 PolarHBondContact O-N 2.7Å; D10-N12 VanDerWaalsContact O-N 3.16Å; D10-N12 PolarHBondContact OD1-N 3.43Å; D10-G13 PolarHBondContact OD1-N 2.96Å; D10-G13 WeakPolarHBondContact OD2-CA 3.47Å; D10-G13 PolarHBondContact OD2-N 3.15Å; D10-S16 VanDerWaalsContact O-CB 3.22Å; D10-S16 WeakPolarHBondContact O-CB 3.48Å; D10-S16 PolarHBondContact O-OG 3.09Å
11	P	82.2	Confident	86.7	Confident	65 Å²	65	54.3 Å²	54.3	42%	0.422	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.5	179.7	-25.6	35.8	0	0	0	115	R20	P11-R20 VanDerWaalsContact O-CZ 3.27Å; P11-R20 PolarHBondContact O-NH1 2.97Å; P11-R20 PolarHBondContact O-NH2 3.47Å
12	N	84.2	Confident	88.2	Confident	115 Å²	115	52.8 Å²	52.8	62%	0.615	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-12.7	-174.4	-75.9	-52.3	0	0	0	114.1	D10 R17	D10-N12 PolarHBondContact O-N 2.7Å; D10-N12 VanDerWaalsContact O-N 3.16Å; D10-N12 PolarHBondContact OD1-N 3.43Å; N12-R17 WeakPolarHBondContact O-CD 3.2Å; N12-R17 PolarHBondContact O-NE 3.42Å; N12-R17 VanDerWaalsContact O-NE 3.07Å
13	G	88	Confident	88.8	Confident	8 Å²	8	44.1 Å²	44.1	8%	0.082	25%	0.248	C	C	.	.	S	Bend	trans	-59.5	165.1	-178.6	0	0	0	0	0	115.3	D10 L15 S16 R17	D10-G13 PolarHBondContact OD1-N 2.96Å; D10-G13 WeakPolarHBondContact OD2-CA 3.47Å; D10-G13 PolarHBondContact OD2-N 3.15Å; G13-L15 PolarHBondContact O-N 3.18Å; G13-S16 PolarHBondContact O-N 3.26Å; G13-S16 VanDerWaalsContact O-N 3.16Å; G13-R17 PolarHBondContact O-N 3.39Å
14	P	90.9	Very high	88.9	Confident	66 Å²	66	50.8 Å²	50.8	43%	0.429	27%	0.269	S	S	.	.	H	α-helix	trans	-60.3	-45.1	-172.6	24	-34.6	0	0	0	112.9	S16 R17 A18 Y116	P14-S16 PolarHBondContact O-N 3.24Å; P14-R17 PolarHBondContact O-N 3.11Å; P14-A18 WeakPolarHBondContact O-CB 3.46Å; P14-A18 PolarHBondContact O-N 2.76Å; P14-Y116 HydrophobicContact CB-CD1 4.41Å; P14-Y116 HydrophobicContact CB-CD2 3.55Å; P14-Y116 HydrophobicContact CB-CE2 3.74Å; P14-Y116 HydrophobicContact CB-CG 3.91Å; P14-Y116 HydrophobicContact CG-CD1 4.35Å; P14-Y116 HydrophobicContact CG-CD2 3.72Å; P14-Y116 HydrophobicContact CG-CE1 4.03Å; P14-Y116 HydrophobicContact CG-CE2 3.33Å; P14-Y116 HydrophobicContact CG-CG 4.21Å
15	L	93.1	Very high	88.9	Confident	10 Å²	10	56.5 Å²	56.5	5%	0.052	30%	0.299	C	S	.	.	H	α-helix	trans	-59.3	-47.5	174.3	-176.9	67.3	0	0	0	111.8	G13 R17 A18 V19 L45 V48 V72 Y116 A119	G13-L15 PolarHBondContact O-N 3.18Å; L15-R17 PolarHBondContact O-N 3.23Å; L15-A18 PolarHBondContact O-N 3.29Å; L15-V19 HydrophobicContact CD1-CG2 3.97Å; L15-V19 HydrophobicContact CG-CG2 4.13Å; L15-V19 WeakPolarHBondContact O-CB 3.49Å; L15-V19 WeakPolarHBondContact O-CG2 3.49Å; L15-V19 PolarHBondContact O-N 3.03Å; L15-L45 HydrophobicContact CD2-CB 4.48Å; L15-L45 HydrophobicContact CD2-CD1 4.1Å; L15-L45 HydrophobicContact CD2-CD2 4.4Å; L15-L45 HydrophobicContact CG-CD1 4.1Å; L15-V48 HydrophobicContact CD2-CG2 3.64Å; L15-V72 HydrophobicContact CD1-CG1 4.27Å; L15-V72 HydrophobicContact CD1-CG2 4.4Å; L15-V72 HydrophobicContact CD2-CG1 3.55Å; L15-V72 HydrophobicContact CD2-CG2 4.49Å; L15-Y116 HydrophobicContact CB-CD1 3.68Å; L15-Y116 HydrophobicContact CB-CE1 3.92Å; L15-Y116 HydrophobicContact CD1-CD1 4.22Å; L15-A119 HydrophobicContact CD1-CB 4.38Å
16	S	92.5	Very high	88.6	Confident	4 Å²	4	60.2 Å²	60.2	3%	0.028	32%	0.319	C	S	.	.	H	α-helix	trans	-64	-25.9	179.5	-59.2	0	0	0	0	112.9	S8 D10 G13 P14 R20	S8-S16 PolarHBondContact OG-OG 3.35Å; D10-S16 VanDerWaalsContact O-CB 3.22Å; D10-S16 WeakPolarHBondContact O-CB 3.48Å; D10-S16 PolarHBondContact O-OG 3.09Å; G13-S16 PolarHBondContact O-N 3.26Å; G13-S16 VanDerWaalsContact O-N 3.16Å; P14-S16 PolarHBondContact O-N 3.24Å; S16-R20 WeakPolarHBondContact O-CG 3.34Å; S16-R20 PolarHBondContact O-N 3.47Å; S16-R20 PolarHBondContact O-NH1 3.28Å
17	R	91.6	Very high	88.4	Confident	169 Å²	169	62 Å²	62	64%	0.638	34%	0.342	S	S	*	.	H	α-helix	trans	-76.1	-49	171	-74.1	174.8	166.7	-170.9	-4.1	111.4	N12 G13 P14 L15 V19 R20 N21	N12-R17 WeakPolarHBondContact O-CD 3.2Å; N12-R17 PolarHBondContact O-NE 3.42Å; N12-R17 VanDerWaalsContact O-NE 3.07Å; G13-R17 PolarHBondContact O-N 3.39Å; P14-R17 PolarHBondContact O-N 3.11Å; L15-R17 PolarHBondContact O-N 3.23Å; R17-V19 PolarHBondContact O-N 3.11Å; R17-R20 PolarHBondContact O-N 3.05Å; R17-N21 WeakPolarHBondContact O-CB 3.5Å; R17-N21 PolarHBondContact O-N 2.97Å
18	A	92.9	Very high	88.3	Confident	5 Å²	5	62 Å²	62	4%	0.041	34%	0.343	C	S	.	.	H	α-helix	trans	-58	-48	177.8	0	0	0	0	0	111.9	P14 L15 N21 Q22 D117 A120	P14-A18 WeakPolarHBondContact O-CB 3.46Å; P14-A18 PolarHBondContact O-N 2.76Å; L15-A18 PolarHBondContact O-N 3.29Å; A18-N21 WeakPolarHBondContact O-CB 3.46Å; A18-N21 PolarHBondContact O-N 3.37Å; A18-N21 VanDerWaalsContact O-N 3.13Å; A18-Q22 WeakPolarHBondContact O-CG 3.13Å; A18-Q22 PolarHBondContact O-N 3.19Å; A18-D117 WeakPolarHBondContact CB-OD1 3.39Å; A18-A120 HydrophobicContact CB-CB 3.63Å
19	V	93.1	Very high	88.2	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-62.2	-44.8	178.9	171	0	0	0	0	112.1	L6 L15 R17 N21 Q22 L23 L43 L45 A120 L123 I124	L6-V19 HydrophobicContact CD1-CG1 3.71Å; L6-V19 HydrophobicContact CD2-CG1 4.27Å; L15-V19 HydrophobicContact CD1-CG2 3.97Å; L15-V19 HydrophobicContact CG-CG2 4.13Å; L15-V19 WeakPolarHBondContact O-CB 3.49Å; L15-V19 WeakPolarHBondContact O-CG2 3.49Å; L15-V19 PolarHBondContact O-N 3.03Å; R17-V19 PolarHBondContact O-N 3.11Å; V19-N21 VanDerWaalsContact C-N 3.28Å; V19-N21 PolarHBondContact O-N 3.22Å; V19-Q22 PolarHBondContact O-N 3.18Å; V19-L23 HydrophobicContact CG1-CD1 3.87Å; V19-L23 HydrophobicContact CG1-CG 4.41Å; V19-L23 WeakPolarHBondContact O-CB 3.3Å; V19-L23 VanDerWaalsContact O-CG 3.3Å; V19-L23 WeakPolarHBondContact O-CG 3.3Å; V19-L23 PolarHBondContact O-N 2.81Å; V19-L43 HydrophobicContact CG1-CD2 3.76Å; V19-L45 HydrophobicContact CB-CD1 4.39Å; V19-L45 HydrophobicContact CG1-CD2 4.38Å; V19-L45 HydrophobicContact CG2-CD1 4.24Å; V19-L45 HydrophobicContact CG2-CD2 4.1Å; V19-A120 HydrophobicContact CB-CB 4.46Å; V19-A120 HydrophobicContact CG2-CB 3.72Å; V19-L123 HydrophobicContact CG2-CD1 4.44Å; V19-I124 HydrophobicContact CG1-CD1 4.43Å
20	R	92.1	Very high	88.3	Confident	87 Å²	87	65.8 Å²	65.8	33%	0.328	34%	0.338	S	S	.	.	H	α-helix	trans	-60.1	-39.5	173.5	-76	-168.3	-165.8	89.3	-17	112.1	L6 P11 S16 R17 R24 L30	L6-R20 HydrophobicContact CD2-CG 3.41Å; L6-R20 VanDerWaalsContact CD2-CG 3.41Å; P11-R20 VanDerWaalsContact O-CZ 3.27Å; P11-R20 PolarHBondContact O-NH1 2.97Å; P11-R20 PolarHBondContact O-NH2 3.47Å; S16-R20 WeakPolarHBondContact O-CG 3.34Å; S16-R20 PolarHBondContact O-N 3.47Å; S16-R20 PolarHBondContact O-NH1 3.28Å; R17-R20 PolarHBondContact O-N 3.05Å; R20-R24 WeakPolarHBondContact O-CB 3.42Å; R20-R24 PolarHBondContact O-N 2.97Å; R20-L30 HydrophobicContact CB-CD1 4.06Å; R20-L30 HydrophobicContact CG-CD1 3.72Å
21	N	90.3	Very high	88.1	Confident	66 Å²	66	63.2 Å²	63.2	35%	0.353	32%	0.324	S	S	.	.	H	α-helix	trans	-68.3	-43.6	-178.9	-155.2	28.8	0	0	0	111.1	R17 A18 V19 R24 L25	R17-N21 WeakPolarHBondContact O-CB 3.5Å; R17-N21 PolarHBondContact O-N 2.97Å; A18-N21 WeakPolarHBondContact O-CB 3.46Å; A18-N21 PolarHBondContact O-N 3.37Å; A18-N21 VanDerWaalsContact O-N 3.13Å; V19-N21 VanDerWaalsContact C-N 3.28Å; V19-N21 PolarHBondContact O-N 3.22Å; N21-R24 PolarHBondContact O-N 3.2Å; N21-R24 PolarHBondContact OD1-NH2 2.99Å; N21-L25 VanDerWaalsContact O-CG 3.31Å; N21-L25 WeakPolarHBondContact O-CG 3.38Å; N21-L25 PolarHBondContact O-N 3Å
22	Q	91.5	Very high	87.3	Confident	38 Å²	38	66.5 Å²	66.5	18%	0.178	34%	0.338	C	S	.	.	H	α-helix	trans	-64.4	-41.2	174.9	-70	-68.2	3	0	0	112.7	A18 V19 R24 L25 N26 A120 I124	A18-Q22 WeakPolarHBondContact O-CG 3.13Å; A18-Q22 PolarHBondContact O-N 3.19Å; V19-Q22 PolarHBondContact O-N 3.18Å; Q22-R24 PolarHBondContact O-N 2.64Å; Q22-L25 PolarHBondContact O-N 2.96Å; Q22-N26 WeakPolarHBondContact O-CB 3.37Å; Q22-N26 PolarHBondContact O-N 2.85Å; Q22-N26 PolarHBondContact O-ND2 2.94Å; Q22-A120 HydrophobicContact CG-CB 3.86Å; Q22-I124 HydrophobicContact CB-CB 4.49Å; Q22-I124 HydrophobicContact CB-CG1 3.73Å
23	L	90.2	Very high	86.1	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-60	-44.8	174.4	-75.9	169.4	0	0	0	112	M4 V19 N26 G27 V28 L30 L43 I124 L127	M4-L23 HydrophobicContact CE-CD1 3.51Å; M4-L23 HydrophobicContact CE-CD2 3.51Å; M4-L23 HydrophobicContact CE-CG 4.18Å; V19-L23 HydrophobicContact CG1-CD1 3.87Å; V19-L23 HydrophobicContact CG1-CG 4.41Å; V19-L23 WeakPolarHBondContact O-CB 3.3Å; V19-L23 VanDerWaalsContact O-CG 3.3Å; V19-L23 WeakPolarHBondContact O-CG 3.3Å; V19-L23 PolarHBondContact O-N 2.81Å; L23-N26 CarbonylContact O-C 3.17Å; L23-N26 PolarHBondContact O-N 3.02Å; L23-G27 PolarHBondContact O-N 3.28Å; L23-V28 HydrophobicContact CB-CB 4.25Å; L23-V28 HydrophobicContact CD2-CB 4.12Å; L23-V28 HydrophobicContact CD2-CG1 4.26Å; L23-V28 HydrophobicContact CD2-CG2 4.06Å; L23-V28 WeakPolarHBondContact O-CB 3.48Å; L23-V28 PolarHBondContact O-N 3.4Å; L23-L30 HydrophobicContact CD1-CD2 3.98Å; L23-L43 HydrophobicContact CD1-CD2 4.41Å; L23-I124 HydrophobicContact CD2-CD1 3.53Å; L23-I124 HydrophobicContact CD2-CG1 4.4Å; L23-I124 HydrophobicContact CG-CD1 3.74Å; L23-I124 HydrophobicContact CG-CG1 4.43Å; L23-L127 HydrophobicContact CD2-CD1 3.95Å
24	R	86.6	Confident	84.4	Confident	179 Å²	179	76.2 Å²	76.2	68%	0.675	38%	0.375	S	S	*	.	H	α-helix	trans	-63.1	-41.3	175.5	-176.2	178.7	64.1	144.5	-0.4	112.4	R20 N21 Q22 N26 G27	R20-R24 WeakPolarHBondContact O-CB 3.42Å; R20-R24 PolarHBondContact O-N 2.97Å; N21-R24 PolarHBondContact O-N 3.2Å; N21-R24 PolarHBondContact OD1-NH2 2.99Å; Q22-R24 PolarHBondContact O-N 2.64Å; R24-N26 VanDerWaalsContact C-N 3.27Å; R24-N26 PolarHBondContact O-N 3.04Å; R24-G27 PolarHBondContact O-N 3.12Å; R24-G27 VanDerWaalsContact O-N 3.16Å
25	L	85.8	Confident	82.6	Confident	121 Å²	121	75.8 Å²	75.8	63%	0.634	37%	0.371	S	S	*	.	H	α-helix	trans	-63.7	-32.8	175.3	-73.1	167.5	0	0	0	112.3	N21 Q22 G27	N21-L25 VanDerWaalsContact O-CG 3.31Å; N21-L25 WeakPolarHBondContact O-CG 3.38Å; N21-L25 PolarHBondContact O-N 3Å; Q22-L25 PolarHBondContact O-N 2.96Å; L25-G27 VanDerWaalsContact C-N 3.26Å; L25-G27 PolarHBondContact O-N 2.85Å
26	N	83.9	Confident	80.5	Confident	99 Å²	99	82 Å²	82	53%	0.529	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	13.9	175.6	-74.4	-96.3	0	0	0	113.4	Q22 L23 R24 V28 I124	Q22-N26 WeakPolarHBondContact O-CB 3.37Å; Q22-N26 PolarHBondContact O-N 2.85Å; Q22-N26 PolarHBondContact O-ND2 2.94Å; L23-N26 CarbonylContact O-C 3.17Å; L23-N26 PolarHBondContact O-N 3.02Å; R24-N26 VanDerWaalsContact C-N 3.27Å; R24-N26 PolarHBondContact O-N 3.04Å; N26-V28 VanDerWaalsContact C-N 3.34Å; N26-V28 PolarHBondContact O-N 2.95Å; N26-I124 HydrophobicContact CB-CG2 4.18Å
27	G	84.3	Confident	78.8	Confident	59 Å²	59	86.9 Å²	86.9	61%	0.608	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	24	174.3	0	0	0	0	0	115.1	L23 R24 L25	L23-G27 PolarHBondContact O-N 3.28Å; R24-G27 PolarHBondContact O-N 3.12Å; R24-G27 VanDerWaalsContact O-N 3.16Å; L25-G27 VanDerWaalsContact C-N 3.26Å; L25-G27 PolarHBondContact O-N 2.85Å
28	V	85.5	Confident	77.4	Confident	20 Å²	20	88 Å²	88	12%	0.121	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-92.6	121.6	176.6	-173.4	0	0	0	0	110.3	M4 L23 N26	M4-V28 HydrophobicContact CB-CG1 3.75Å; L23-V28 HydrophobicContact CB-CB 4.25Å; L23-V28 HydrophobicContact CD2-CB 4.12Å; L23-V28 HydrophobicContact CD2-CG1 4.26Å; L23-V28 HydrophobicContact CD2-CG2 4.06Å; L23-V28 WeakPolarHBondContact O-CB 3.48Å; L23-V28 PolarHBondContact O-N 3.4Å; N26-V28 VanDerWaalsContact C-N 3.34Å; N26-V28 PolarHBondContact O-N 2.95Å
29	E	85.5	Confident	76.4	Confident	123 Å²	123	92.4 Å²	92.4	58%	0.575	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	133.1	171.2	-171.9	176.9	-173.3	0	0	110.3	K2 V3 M4	K2-E29 WeakPolarHBondContact O-CB 3.43Å; K2-E29 PolarHBondContact O-N 3.4Å; V3-E29 CarbonylContact C-O 3.46Å; V3-E29 WeakPolarHBondContact CA-O 3.26Å; V3-E29 HydrophobicContact CG2-CB 4.3Å; M4-E29 PolarHBondContact N-O 3.22Å
30	L	85	Confident	75.7	Confident	62 Å²	62	93 Å²	93	33%	0.325	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131	-179.3	-77.8	168.7	0	0	0	110.6	M4 L6 R20 L23	M4-L30 WeakPolarHBondContact O-CA 3.36Å; L6-L30 HydrophobicContact CB-CD2 3.92Å; R20-L30 HydrophobicContact CB-CD1 4.06Å; R20-L30 HydrophobicContact CG-CD1 3.72Å; L23-L30 HydrophobicContact CD1-CD2 3.98Å
31	L	81.3	Confident	75.5	Confident	32 Å²	32	90 Å²	90	17%	0.168	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	143.4	169.7	-60	179.1	0	0	0	111.3	V3 M4 I5 V40	V3-L31 HydrophobicContact CG1-CD1 3.72Å; V3-L31 HydrophobicContact CG1-CD2 3.99Å; V3-L31 HydrophobicContact CG1-CG 3.58Å; M4-L31 PolarHBondContact O-N 3.27Å; M4-L31 VanDerWaalsContact O-N 3.09Å; I5-L31 HydrophobicContact CG1-CB 4.08Å; L31-V40 HydrophobicContact CD1-CB 4.29Å; L31-V40 HydrophobicContact CD1-CG1 4.04Å; L31-V40 HydrophobicContact CD1-CG2 3.81Å
32	D	66.2	Low	75.4	Confident	133 Å²	133	87.6 Å²	87.6	71%	0.711	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-69.9	144	171.5	-79.1	-53	0	0	0	112.2	E34 T35	D32-E34 PolarHBondContact O-N 2.81Å; D32-E34 VanDerWaalsContact O-N 3.08Å; D32-T35 WeakPolarHBondContact O-CB 3.27Å; D32-T35 PolarHBondContact O-N 2.83Å; D32-T35 PolarHBondContact O-OG1 2.76Å
33	K	58	Low	75.4	Confident	140 Å²	140	85.8 Å²	85.8	61%	0.609	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-10.3	-174.2	-166.7	172.6	173.3	-179.3	0	113.9	D7 T35	D7-K33 WeakPolarHBondContact OD1-CE 3.3Å; D7-K33 IonicContact OD1-NZ 3.78Å; D7-K33 PolarHBondContact OD1-NZ 3Å; K33-T35 VanDerWaalsContact C-N 3.3Å
34	E	52.3	Low	75.4	Confident	187 Å²	187	92.2 Å²	92.2	87%	0.874	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-14.5	170.9	-60.6	-167.1	158.7	0	0	113.1	D32 T36	D32-E34 PolarHBondContact O-N 2.81Å; D32-E34 VanDerWaalsContact O-N 3.08Å; E34-T36 PolarHBondContact O-N 3.23Å
35	T	53.1	Low	75.7	Confident	57 Å²	57	84.2 Å²	84.2	35%	0.35	43%	0.43	S	S	.	.			trans	-74.7	117.7	175.2	60.3	0	0	0	0	110.9	D32 K33 R37	D32-T35 WeakPolarHBondContact O-CB 3.27Å; D32-T35 PolarHBondContact O-N 2.83Å; D32-T35 PolarHBondContact O-OG1 2.76Å; K33-T35 VanDerWaalsContact C-N 3.3Å; T35-R37 PolarHBondContact O-N 2.71Å
36	T	49.1	Very low	75.8	Confident	140 Å²	140	80.4 Å²	80.4	86%	0.859	42%	0.42	S	S	*	.			trans	-73.4	24.3	-179.5	46.7	0	0	0	0	114.2	E34 K38	E34-T36 PolarHBondContact O-N 3.23Å; T36-K38 PolarHBondContact O-N 3.41Å; T36-K38 VanDerWaalsContact O-N 3.1Å
37	R	57.3	Low	75.8	Confident	107 Å²	107	79.2 Å²	79.2	40%	0.404	42%	0.424	S	S	.	.			trans	-78.1	91.4	-175	-76	-134.1	-74.9	156.4	-16.4	111.9	T35 D39 V40	T35-R37 PolarHBondContact O-N 2.71Å; R37-D39 VanDerWaalsContact CA-OD1 3.24Å; R37-D39 WeakPolarHBondContact CA-OD1 3.47Å; R37-D39 WeakPolarHBondContact CB-OD1 3.46Å; R37-D39 WeakPolarHBondContact CD-OD1 3.28Å; R37-D39 WeakPolarHBondContact CD-OD2 3.31Å; R37-D39 IonicContact CZ-OD2 3.83Å; R37-D39 IonicContact NE-OD2 2.77Å; R37-D39 IonicContact NH1-OD2 2.8Å; R37-D39 PolarHBondContact NH1-OD2 2.96Å; R37-D39 PolarHBondContact O-N 3.16Å; R37-V40 HydrophobicContact CB-CG2 4.11Å
38	K	62.3	Low	76.2	Confident	194 Å²	194	79.1 Å²	79.1	84%	0.843	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-5.2	172.1	-63.3	-171.4	177.5	-172.8	0	113.6	T36 P79	T36-K38 PolarHBondContact O-N 3.41Å; T36-K38 VanDerWaalsContact O-N 3.1Å; K38-P79 VanDerWaalsContact O-CB 3.26Å; K38-P79 WeakPolarHBondContact O-CB 3.41Å; K38-P79 VanDerWaalsContact O-CG 3.28Å; K38-P79 WeakPolarHBondContact O-CG 3.34Å
39	D	71.6	Confident	76.4	Confident	97 Å²	97	81.4 Å²	81.4	52%	0.519	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-0.6	-179.5	55.3	-66.5	0	0	0	114.6	R37	R37-D39 VanDerWaalsContact CA-OD1 3.24Å; R37-D39 WeakPolarHBondContact CA-OD1 3.47Å; R37-D39 WeakPolarHBondContact CB-OD1 3.46Å; R37-D39 WeakPolarHBondContact CD-OD1 3.28Å; R37-D39 WeakPolarHBondContact CD-OD2 3.31Å; R37-D39 IonicContact CZ-OD2 3.83Å; R37-D39 IonicContact NE-OD2 2.77Å; R37-D39 IonicContact NH1-OD2 2.8Å; R37-D39 PolarHBondContact NH1-OD2 2.96Å; R37-D39 PolarHBondContact O-N 3.16Å
40	V	78.5	Confident	76.5	Confident	13 Å²	13	78.8 Å²	78.8	8%	0.079	42%	0.417	C	S	.	.	S	Bend	trans	-116.2	133.6	-174.4	-176.3	0	0	0	0	111.5	V3 I5 L31 R37	V3-V40 HydrophobicContact CG1-CG1 4.15Å; I5-V40 HydrophobicContact CD1-CB 4.28Å; I5-V40 HydrophobicContact CG1-CG1 4.27Å; L31-V40 HydrophobicContact CD1-CB 4.29Å; L31-V40 HydrophobicContact CD1-CG1 4.04Å; L31-V40 HydrophobicContact CD1-CG2 3.81Å; R37-V40 HydrophobicContact CB-CG2 4.11Å
41	P	86.8	Confident	76.5	Confident	22 Å²	22	78.1 Å²	78.1	14%	0.143	42%	0.418	C	S	.	.			trans	-58	147.8	173.3	-24.1	34.6	0	0	0	112.8	M1 M4 I5 L77 I78	M1-P41 HydrophobicContact CE-CB 3.94Å; M1-P41 HydrophobicContact CE-CG 3.89Å; M1-P41 HydrophobicContact CG-CG 4.12Å; M1-P41 HydrophobicContact SD-CB 3.86Å; M1-P41 HydrophobicContact SD-CG 3.95Å; M4-P41 WeakPolarHBondContact CA-O 3.47Å; M4-P41 HydrophobicContact CG-CB 4.35Å; M4-P41 WeakPolarHBondContact CG-O 3.45Å; I5-P41 PolarHBondContact N-O 3.25Å; P41-L77 WeakPolarHBondContact CA-O 3.33Å; P41-I78 HydrophobicContact CB-CG1 4.38Å
42	S	88.4	Confident	76.5	Confident	17 Å²	17	80.5 Å²	80.5	12%	0.119	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137	174.2	69.2	0	0	0	0	113.1	I5 V76 L77	I5-S42 CarbonylContact O-C 3.59Å; I5-S42 VanDerWaalsContact O-CA 3.25Å; I5-S42 WeakPolarHBondContact O-CA 3.47Å; S42-V76 CarbonylContact O-C 3.47Å; S42-V76 WeakPolarHBondContact O-CA 3.31Å; S42-L77 PolarHBondContact N-O 3.22Å; S42-L77 PolarHBondContact O-N 3.06Å
43	L	91.3	Very high	76.9	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114.7	169.5	171.7	61.9	0	0	0	107.9	M4 I5 L6 D7 V19 L23 L45 A74 V76 I86 I124	M4-L43 HydrophobicContact CE-CB 3.43Å; M4-L43 VanDerWaalsContact CE-CB 3.43Å; M4-L43 HydrophobicContact CE-CD2 3.96Å; M4-L43 HydrophobicContact CE-CG 4.35Å; M4-L43 HydrophobicContact SD-CB 3.95Å; I5-L43 PolarHBondContact O-N 3.11Å; L6-L43 HydrophobicContact CD1-CB 4.27Å; L6-L43 HydrophobicContact CD1-CD2 4.01Å; L6-L43 HydrophobicContact CD1-CG 4.06Å; D7-L43 PolarHBondContact N-O 3.38Å; V19-L43 HydrophobicContact CG1-CD2 3.76Å; L23-L43 HydrophobicContact CD1-CD2 4.41Å; L43-L45 HydrophobicContact CD2-CD2 4.46Å; L43-L45 HydrophobicContact CG-CD2 4.34Å; L43-A74 HydrophobicContact CD1-CB 4.12Å; L43-V76 HydrophobicContact CD1-CG2 3.97Å; L43-I86 HydrophobicContact CD1-CD1 3.94Å; L43-I124 HydrophobicContact CD2-CD1 4.18Å
44	R	91	Very high	77.7	Confident	134 Å²	134	75.4 Å²	75.4	51%	0.506	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	122	172.3	175.2	171.9	-73.7	164.8	0.1	110.2	D7 A74 S75	D7-R44 HydrophobicContact CB-CB 4.2Å; D7-R44 CarbonylContact O-C 3.56Å; D7-R44 WeakPolarHBondContact O-CA 3.43Å; D7-R44 IonicContact OD2-CZ 2.78Å; D7-R44 VanDerWaalsContact OD2-CZ 3.23Å; D7-R44 IonicContact OD2-NE 3.56Å; D7-R44 PolarHBondContact OD2-NE 3.05Å; D7-R44 IonicContact OD2-NH2 3.94Å; D7-R44 PolarHBondContact OD2-NH2 3.49Å; R44-A74 CarbonylContact O-C 3.52Å; R44-A74 WeakPolarHBondContact O-CA 3.39Å; R44-A74 WeakPolarHBondContact O-CB 3.33Å; R44-S75 PolarHBondContact N-O 2.81Å; R44-S75 PolarHBondContact O-N 3.19Å
45	L	91.9	Very high	78.4	Confident	12 Å²	12	68.9 Å²	68.9	6%	0.063	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	130.9	169	-57	-178	0	0	0	109.7	L6 D7 L15 V19 L43 A74 L123	L6-L45 HydrophobicContact CD1-CD1 4.22Å; L6-L45 HydrophobicContact CD1-CD2 4.48Å; L6-L45 HydrophobicContact CD1-CG 4.1Å; D7-L45 PolarHBondContact O-N 3.05Å; L15-L45 HydrophobicContact CD2-CB 4.48Å; L15-L45 HydrophobicContact CD2-CD1 4.1Å; L15-L45 HydrophobicContact CD2-CD2 4.4Å; L15-L45 HydrophobicContact CG-CD1 4.1Å; V19-L45 HydrophobicContact CB-CD1 4.39Å; V19-L45 HydrophobicContact CG1-CD2 4.38Å; V19-L45 HydrophobicContact CG2-CD1 4.24Å; V19-L45 HydrophobicContact CG2-CD2 4.1Å; L43-L45 HydrophobicContact CD2-CD2 4.46Å; L43-L45 HydrophobicContact CG-CD2 4.34Å; L45-A74 HydrophobicContact CD2-CB 4.16Å; L45-L123 HydrophobicContact CD2-CD1 4.21Å
46	G	87.6	Confident	78.9	Confident	41 Å²	41	67.7 Å²	67.7	42%	0.423	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-148.8	179.9	0	0	0	0	0	112.5	S73	G46-S73 VanDerWaalsContact CA-O 3.28Å; G46-S73 WeakPolarHBondContact CA-O 3.37Å; G46-S73 PolarHBondContact N-O 3Å
47	A	85.8	Confident	79.7	Confident	73 Å²	73	65.7 Å²	65.7	60%	0.603	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	144.4	177.6	0	0	0	0	0	112.3	S73	A47-S73 PolarHBondContact N-OG 3.24Å; A47-S73 PolarHBondContact O-N 2.93Å; A47-S73 PolarHBondContact O-OG 3.45Å
48	V	90.9	Very high	79.7	Confident	57 Å²	57	64.5 Å²	64.5	35%	0.345	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.8	167.7	-179.7	0	0	0	0	107.6	L15 M70 T71 V72 Y116	L15-V48 HydrophobicContact CD2-CG2 3.64Å; V48-M70 HydrophobicContact CG1-CG 4.08Å; V48-M70 HydrophobicContact CG1-SD 4.48Å; V48-T71 WeakPolarHBondContact CA-O 3.17Å; V48-V72 HydrophobicContact CG1-CG2 4.18Å; V48-V72 HydrophobicContact CG2-CG1 4.23Å; V48-V72 HydrophobicContact CG2-CG2 4.13Å; V48-Y116 HydrophobicContact CG1-CE1 4.18Å
49	S	89.7	Confident	79.2	Confident	69 Å²	69	68 Å²	68	48%	0.483	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	150.9	166	61.3	0	0	0	0	110.3	M70 T71	S49-M70 CarbonylContact O-C 3.6Å; S49-M70 VanDerWaalsContact O-CA 3.28Å; S49-M70 WeakPolarHBondContact O-CA 3.38Å; S49-T71 PolarHBondContact N-O 2.56Å; S49-T71 PolarHBondContact O-N 3.48Å
50	I	88.1	Confident	78.6	Confident	67 Å²	67	67.2 Å²	67.2	34%	0.344	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	114.4	170	-54.1	177.4	0	0	0	106.6	M68 V69 M70 I112	I50-M68 HydrophobicContact CG2-CE 3.72Å; I50-V69 WeakPolarHBondContact CA-O 3.28Å; I50-M70 HydrophobicContact CD1-CE 3.75Å; I50-M70 HydrophobicContact CG1-CB 4.28Å; I50-M70 HydrophobicContact CG1-CE 4.14Å; I50-M70 HydrophobicContact CG1-CG 4.17Å; I50-I112 HydrophobicContact CD1-CG2 4.32Å
51	S	86.1	Confident	77.5	Confident	49 Å²	49	69.7 Å²	69.7	34%	0.343	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	162.2	165.2	73.7	0	0	0	0	110.5	D53 M68 V69	S51-D53 PolarHBondContact OG-OD2 2.79Å; S51-M68 CarbonylContact O-C 3.6Å; S51-M68 VanDerWaalsContact O-CA 3.3Å; S51-M68 WeakPolarHBondContact O-CA 3.49Å; S51-V69 PolarHBondContact N-O 3.06Å; S51-V69 PolarHBondContact O-N 3.33Å; S51-V69 WeakPolarHBondContact OG-CB 3.45Å
52	Q	81.1	Confident	76.1	Confident	82 Å²	82	75.1 Å²	75.1	38%	0.383	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	111	169	-179.6	-175.8	-35.2	0	0	108.3	Y66 Q67 M68 F94	Q52-Y66 HydrophobicContact CG-CD1 4.01Å; Q52-Y66 HydrophobicContact CG-CG 4.16Å; Q52-Y66 VanDerWaalsContact NE2-CD1 3.33Å; Q52-Q67 WeakPolarHBondContact CA-O 3.14Å; Q52-M68 HydrophobicContact CG-CG 4.33Å; Q52-F94 HydrophobicContact CG-CE1 4.3Å
53	D	74.8	Confident	74.7	Confident	82 Å²	82	75.7 Å²	75.7	44%	0.439	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	148.6	-174.6	-60.8	-71.9	0	0	0	109.9	S51 A55 Y66 Q67	S51-D53 PolarHBondContact OG-OD2 2.79Å; D53-A55 PolarHBondContact O-N 3.11Å; D53-Y66 CarbonylContact O-C 3.56Å; D53-Y66 WeakPolarHBondContact O-CA 3.37Å; D53-Q67 PolarHBondContact N-O 2.9Å; D53-Q67 PolarHBondContact O-N 3.16Å
54	T	75	Confident	73.4	Confident	84 Å²	84	76.4 Å²	76.4	52%	0.515	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	105.9	178.7	-52.9	0	0	0	0	109.2	V57 Y66	T54-V57 HydrophobicContact CG2-CG2 3.9Å; T54-Y66 HydrophobicContact CG2-CE1 4.38Å; T54-Y66 WeakPolarHBondContact OG1-CE1 3.41Å
55	A	65.7	Low	72.5	Confident	49 Å²	49	70.2 Å²	70.2	41%	0.405	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-37.5	-176.2	0	0	0	0	0	112.5	D53 E65 Q67	D53-A55 PolarHBondContact O-N 3.11Å; A55-E65 HydrophobicContact CB-CG 4.15Å; A55-E65 PolarHBondContact N-O 3.17Å; A55-Q67 HydrophobicContact CB-CB 4.1Å
56	S	63.9	Low	71.8	Confident	32 Å²	32	72.1 Å²	72.1	22%	0.224	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	158.2	169	68.5	0	0	0	0	112.9	E65	S56-E65 PolarHBondContact N-O 2.94Å; S56-E65 PolarHBondContact O-N 2.88Å; S56-E65 WeakPolarHBondContact OG-CB 3.32Å; S56-E65 PolarHBondContact OG-OE2 3.28Å
57	V	66.2	Low	71.5	Confident	99 Å²	99	73.1 Å²	73.1	60%	0.6	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	128.8	172.2	-178.9	0	0	0	0	107.9	T54	T54-V57 HydrophobicContact CG2-CG2 3.9Å
58	F	57.9	Low	71.5	Confident	82 Å²	82	69.8 Å²	69.8	36%	0.36	38%	0.381	S	S	.	.			trans	-75.9	155.5	-177.9	-74.8	-107.7	0	0	0	111.4	N60 G61 T63 E65 F95	F58-N60 WeakPolarHBondContact CB-OD1 3.43Å; F58-N60 PolarHBondContact O-N 2.95Å; F58-G61 PolarHBondContact O-N 2.73Å; F58-T63 WeakPolarHBondContact CB-O 3.44Å; F58-T63 HydrophobicContact CD2-CG2 3.81Å; F58-T63 WeakPolarHBondContact CD2-O 3.26Å; F58-T63 HydrophobicContact CE2-CG2 4.07Å; F58-T63 HydrophobicContact CG-CG2 4.26Å; F58-T63 PolarHBondContact N-O 3.2Å; F58-E65 HydrophobicContact CE2-CB 4.29Å; F58-F95 AromaticContact CE2-CD1 3.86Å; F58-F95 HydrophobicContact CE2-CD1 3.86Å; F58-F95 AromaticContact CE2-CE1 3.9Å; F58-F95 HydrophobicContact CE2-CE1 3.9Å; F58-F95 AromaticContact CZ-CD1 3.98Å; F58-F95 HydrophobicContact CZ-CD1 3.98Å; F58-F95 AromaticContact CZ-CE1 3.73Å; F58-F95 HydrophobicContact CZ-CE1 3.73Å
59	R	51.1	Low	71.3	Confident	266 Å²	266	67.6 Å²	67.6	100%	1.004	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-10.4	180	-75.8	-173.5	172.7	-164.9	-3.9	115.5
60	N	59.5	Low	71.4	Confident	82 Å²	82	64.3 Å²	64.3	44%	0.439	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-12	174.3	66	-2.7	0	0	0	113.4	F58 Q62 T63	F58-N60 WeakPolarHBondContact CB-OD1 3.43Å; F58-N60 PolarHBondContact O-N 2.95Å; N60-Q62 PolarHBondContact O-N 2.91Å; N60-Q62 VanDerWaalsContact O-N 3.1Å; N60-Q62 PolarHBondContact OD1-N 3.01Å; N60-T63 PolarHBondContact ND2-OG1 3.02Å; N60-T63 PolarHBondContact OD1-N 3.19Å
61	G	55.9	Low	71.5	Confident	64 Å²	64	63.5 Å²	63.5	66%	0.66	34%	0.343	S	S	*	.	S	Bend	trans	64.5	6.1	-174.4	0	0	0	0	0	115	F58	F58-G61 PolarHBondContact O-N 2.73Å
62	Q	55.7	Low	71.8	Confident	137 Å²	137	61.2 Å²	61.2	64%	0.64	33%	0.327	S	S	*	.	S	Bend	trans	-117.9	-13.7	-173.7	-69.5	178.2	-0.9	0	0	112.8	N60 P98	N60-Q62 PolarHBondContact O-N 2.91Å; N60-Q62 VanDerWaalsContact O-N 3.1Å; N60-Q62 PolarHBondContact OD1-N 3.01Å; Q62-P98 WeakPolarHBondContact O-CD 3.38Å; Q62-P98 WeakPolarHBondContact O-CG 3.38Å
63	T	59.2	Low	72.3	Confident	29 Å²	29	59.7 Å²	59.7	18%	0.178	33%	0.325	C	S	.	.			trans	-120.7	132.5	178.2	-51.2	0	0	0	0	108.8	F58 N60	F58-T63 WeakPolarHBondContact CB-O 3.44Å; F58-T63 HydrophobicContact CD2-CG2 3.81Å; F58-T63 WeakPolarHBondContact CD2-O 3.26Å; F58-T63 HydrophobicContact CE2-CG2 4.07Å; F58-T63 HydrophobicContact CG-CG2 4.26Å; F58-T63 PolarHBondContact N-O 3.2Å; N60-T63 PolarHBondContact ND2-OG1 3.02Å; N60-T63 PolarHBondContact OD1-N 3.19Å
64	A	63.8	Low	73.1	Confident	14 Å²	14	56.2 Å²	56.2	12%	0.116	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	147.5	176	0	0	0	0	0	110.2	Y66 D96	A64-Y66 HydrophobicContact CB-CD2 4.43Å; A64-Y66 HydrophobicContact CB-CE2 3.88Å; A64-D96 PolarHBondContact O-N 3.44Å
65	E	72.6	Confident	73.9	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.019	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	120.6	169	-176.4	178.2	-117.1	0	0	107.7	A55 S56 F58 F94 F95 R392	A55-E65 HydrophobicContact CB-CG 4.15Å; A55-E65 PolarHBondContact N-O 3.17Å; S56-E65 PolarHBondContact N-O 2.94Å; S56-E65 PolarHBondContact O-N 2.88Å; S56-E65 WeakPolarHBondContact OG-CB 3.32Å; S56-E65 PolarHBondContact OG-OE2 3.28Å; F58-E65 HydrophobicContact CE2-CB 4.29Å; E65-F94 WeakPolarHBondContact CA-O 3.45Å; E65-F95 HydrophobicContact CB-CD1 4.05Å; E65-F95 HydrophobicContact CB-CE1 3.91Å; E65-F95 HydrophobicContact CG-CD1 4.17Å; E65-F95 HydrophobicContact CG-CE1 3.71Å; E65-F95 HydrophobicContact CG-CZ 4.44Å; E65-F95 WeakPolarHBondContact OE1-CE1 3.4Å; E65-R392 IonicContact OE1-CZ 2.81Å; E65-R392 IonicContact OE1-NH1 3.08Å; E65-R392 PolarHBondContact OE1-NH1 3.04Å; E65-R392 IonicContact OE2-CZ 3.69Å; E65-R392 IonicContact OE2-NH1 3.2Å; E65-R392 PolarHBondContact OE2-NH1 3.31Å
66	Y	77.1	Confident	75.1	Confident	53 Å²	53	51.1 Å²	51.1	21%	0.208	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135	178.9	-71.6	-68.7	0	0	0	110.3	Q52 D53 T54 A64 S93 F94 D96	Q52-Y66 HydrophobicContact CG-CD1 4.01Å; Q52-Y66 HydrophobicContact CG-CG 4.16Å; Q52-Y66 VanDerWaalsContact NE2-CD1 3.33Å; D53-Y66 CarbonylContact O-C 3.56Å; D53-Y66 WeakPolarHBondContact O-CA 3.37Å; T54-Y66 HydrophobicContact CG2-CE1 4.38Å; T54-Y66 WeakPolarHBondContact OG1-CE1 3.41Å; A64-Y66 HydrophobicContact CB-CD2 4.43Å; A64-Y66 HydrophobicContact CB-CE2 3.88Å; Y66-S93 CarbonylContact O-C 3.56Å; Y66-S93 WeakPolarHBondContact O-CA 3.28Å; Y66-F94 VanDerWaalsContact CB-CE1 3.5Å; Y66-F94 HydrophobicContact CD2-CE2 4.13Å; Y66-F94 AromaticContact CD2-CZ 3.99Å; Y66-F94 HydrophobicContact CD2-CZ 3.99Å; Y66-F94 HydrophobicContact CG-CE1 4.37Å; Y66-F94 HydrophobicContact CG-CZ 4.2Å; Y66-F94 PolarHBondContact N-O 3.27Å; Y66-F94 PolarHBondContact O-N 3.28Å; Y66-D96 HydrophobicContact CD2-CB 3.85Å; Y66-D96 HydrophobicContact CE2-CB 3.58Å
67	Q	81.9	Confident	76	Confident	61 Å²	61	53.3 Å²	53.3	29%	0.285	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	113.8	173.9	-177.1	179.9	-58.4	0	0	108.9	Q52 D53 A55 V69 R92	Q52-Q67 WeakPolarHBondContact CA-O 3.14Å; D53-Q67 PolarHBondContact N-O 2.9Å; D53-Q67 PolarHBondContact O-N 3.16Å; A55-Q67 HydrophobicContact CB-CB 4.1Å; Q67-V69 HydrophobicContact CG-CG2 4.27Å; Q67-R92 CarbonylContact C-O 3.58Å; Q67-R92 WeakPolarHBondContact CA-O 3.48Å
68	M	85.8	Confident	76.8	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.015	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	136.4	171.1	-61.1	-173.7	68.4	0	0	110.1	I50 S51 Q52 F91 R92 F94 Q108 I111 I112 M115	I50-M68 HydrophobicContact CG2-CE 3.72Å; S51-M68 CarbonylContact O-C 3.6Å; S51-M68 VanDerWaalsContact O-CA 3.3Å; S51-M68 WeakPolarHBondContact O-CA 3.49Å; Q52-M68 HydrophobicContact CG-CG 4.33Å; M68-F91 CarbonylContact O-C 3.49Å; M68-F91 WeakPolarHBondContact O-CA 3.27Å; M68-R92 PolarHBondContact N-O 3.46Å; M68-R92 PolarHBondContact O-N 3.49Å; M68-F94 HydrophobicContact CG-CD1 3.92Å; M68-F94 HydrophobicContact CG-CE1 3.66Å; M68-F94 HydrophobicContact SD-CD1 3.98Å; M68-F94 HydrophobicContact SD-CE1 3.7Å; M68-Q108 HydrophobicContact CE-CG 4.4Å; M68-Q108 HydrophobicContact SD-CG 4.18Å; M68-I111 HydrophobicContact SD-CG2 4.04Å; M68-I112 HydrophobicContact CE-CD1 3.97Å; M68-I112 HydrophobicContact CE-CG1 3.59Å; M68-M115 HydrophobicContact CB-CE 3.83Å; M68-M115 HydrophobicContact CB-SD 4.04Å; M68-M115 WeakPolarHBondContact O-CE 3Å
69	V	86.8	Confident	77.6	Confident	11 Å²	11	47.6 Å²	47.6	7%	0.067	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	103.8	178.8	-168	0	0	0	0	109.9	I50 S51 Q67 K89 F91	I50-V69 WeakPolarHBondContact CA-O 3.28Å; S51-V69 PolarHBondContact N-O 3.06Å; S51-V69 PolarHBondContact O-N 3.33Å; S51-V69 WeakPolarHBondContact OG-CB 3.45Å; Q67-V69 HydrophobicContact CG-CG2 4.27Å; V69-K89 HydrophobicContact CG1-CD 4.37Å; V69-K89 HydrophobicContact CG1-CG 4.1Å; V69-F91 HydrophobicContact CB-CD1 4.39Å; V69-F91 HydrophobicContact CG1-CD1 3.86Å; V69-F91 HydrophobicContact CG1-CE1 3.69Å; V69-F91 HydrophobicContact CG1-CZ 4.42Å; V69-F91 HydrophobicContact CG2-CD1 3.85Å; V69-F91 HydrophobicContact CG2-CE1 4.15Å
70	M	92.2	Very high	78.3	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	123	171.8	-177.3	-175.8	-72.8	0	0	109.3	V48 S49 I50 V72 K89 V90 M115 Y116 A119	V48-M70 HydrophobicContact CG1-CG 4.08Å; V48-M70 HydrophobicContact CG1-SD 4.48Å; S49-M70 CarbonylContact O-C 3.6Å; S49-M70 VanDerWaalsContact O-CA 3.28Å; S49-M70 WeakPolarHBondContact O-CA 3.38Å; I50-M70 HydrophobicContact CD1-CE 3.75Å; I50-M70 HydrophobicContact CG1-CB 4.28Å; I50-M70 HydrophobicContact CG1-CE 4.14Å; I50-M70 HydrophobicContact CG1-CG 4.17Å; M70-V72 HydrophobicContact CG-CG2 3.97Å; M70-V72 HydrophobicContact SD-CG2 4Å; M70-K89 CarbonylContact O-C 3.56Å; M70-K89 WeakPolarHBondContact O-CA 3.21Å; M70-V90 HydrophobicContact CB-CB 4.47Å; M70-V90 PolarHBondContact N-O 2.78Å; M70-V90 PolarHBondContact O-N 2.88Å; M70-M115 HydrophobicContact CB-CB 4.3Å; M70-M115 HydrophobicContact CB-CE 3.69Å; M70-M115 HydrophobicContact CB-SD 4.43Å; M70-M115 HydrophobicContact CE-CB 3.55Å; M70-M115 HydrophobicContact SD-CB 3.96Å; M70-Y116 HydrophobicContact CE-CD1 3.63Å; M70-Y116 HydrophobicContact CE-CD2 3.85Å; M70-Y116 HydrophobicContact CE-CE1 3.6Å; M70-Y116 HydrophobicContact CE-CE2 3.82Å; M70-Y116 HydrophobicContact CE-CG 3.76Å; M70-Y116 HydrophobicContact SD-CD1 3.81Å; M70-Y116 HydrophobicContact SD-CE1 4.04Å; M70-Y116 HydrophobicContact SD-CG 4.31Å; M70-A119 HydrophobicContact SD-CB 4.03Å
71	T	89.9	Confident	78.6	Confident	51 Å²	51	39 Å²	39	31%	0.313	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.8	169.5	-53.1	0	0	0	0	109	V48 S49	V48-T71 WeakPolarHBondContact CA-O 3.17Å; S49-T71 PolarHBondContact N-O 2.56Å; S49-T71 PolarHBondContact O-N 3.48Å
72	V	92.3	Very high	79.2	Confident	1 Å²	1	42 Å²	42	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132.6	178.4	-178.2	0	0	0	0	109.5	L15 V48 M70 S87 A88 A119 L123	L15-V72 HydrophobicContact CD1-CG1 4.27Å; L15-V72 HydrophobicContact CD1-CG2 4.4Å; L15-V72 HydrophobicContact CD2-CG1 3.55Å; L15-V72 HydrophobicContact CD2-CG2 4.49Å; V48-V72 HydrophobicContact CG1-CG2 4.18Å; V48-V72 HydrophobicContact CG2-CG1 4.23Å; V48-V72 HydrophobicContact CG2-CG2 4.13Å; M70-V72 HydrophobicContact CG-CG2 3.97Å; M70-V72 HydrophobicContact SD-CG2 4Å; V72-S87 CarbonylContact O-C 3.51Å; V72-S87 WeakPolarHBondContact O-CA 3.31Å; V72-S87 WeakPolarHBondContact O-CB 3.03Å; V72-A88 HydrophobicContact CB-CB 4.34Å; V72-A88 PolarHBondContact N-O 2.83Å; V72-A88 PolarHBondContact O-N 3.39Å; V72-A119 HydrophobicContact CB-CB 4.48Å; V72-A119 HydrophobicContact CG2-CB 3.71Å; V72-L123 HydrophobicContact CG1-CD1 3.92Å
73	S	91.5	Very high	80.3	Confident	49 Å²	49	40.3 Å²	40.3	34%	0.343	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	146.6	169.9	61.4	0	0	0	0	110.4	G46 A47	G46-S73 VanDerWaalsContact CA-O 3.28Å; G46-S73 WeakPolarHBondContact CA-O 3.37Å; G46-S73 PolarHBondContact N-O 3Å; A47-S73 PolarHBondContact N-OG 3.24Å; A47-S73 PolarHBondContact O-N 2.93Å; A47-S73 PolarHBondContact O-OG 3.45Å
74	A	92.2	Very high	81.5	Confident	9 Å²	9	41.6 Å²	41.6	7%	0.074	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	171.2	173.5	0	0	0	0	0	109.9	L43 R44 L45 I86 L123	L43-A74 HydrophobicContact CD1-CB 4.12Å; R44-A74 CarbonylContact O-C 3.52Å; R44-A74 WeakPolarHBondContact O-CA 3.39Å; R44-A74 WeakPolarHBondContact O-CB 3.33Å; L45-A74 HydrophobicContact CD2-CB 4.16Å; A74-I86 CarbonylContact C-O 3.46Å; A74-I86 HydrophobicContact CB-CD1 4.38Å; A74-I86 HydrophobicContact CB-CG1 3.95Å; A74-I86 PolarHBondContact N-O 2.67Å; A74-I86 PolarHBondContact O-N 3.24Å; A74-L123 HydrophobicContact CB-CD1 4.25Å; A74-L123 HydrophobicContact CB-CD2 4.13Å
75	S	90.9	Very high	82.5	Confident	26 Å²	26	45.5 Å²	45.5	18%	0.182	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	151.7	171.3	59.4	0	0	0	0	112	R44 Y84	R44-S75 PolarHBondContact N-O 2.81Å; R44-S75 PolarHBondContact O-N 3.19Å; S75-Y84 CarbonylContact C-O 3.6Å; S75-Y84 VanDerWaalsContact CA-O 3.27Å; S75-Y84 WeakPolarHBondContact CA-O 3.37Å
76	V	89.8	Confident	83.4	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	117.8	175.7	-175.9	0	0	0	0	108.2	S42 L43 I78 Y84 I86 L127 I130	S42-V76 CarbonylContact O-C 3.47Å; S42-V76 WeakPolarHBondContact O-CA 3.31Å; L43-V76 HydrophobicContact CD1-CG2 3.97Å; V76-I78 HydrophobicContact CG1-CD1 4.43Å; V76-I78 HydrophobicContact CG1-CG1 4.24Å; V76-Y84 PolarHBondContact N-O 3.05Å; V76-Y84 PolarHBondContact O-N 3.1Å; V76-I86 HydrophobicContact CG2-CD1 4Å; V76-L127 HydrophobicContact CG2-CD2 3.61Å; V76-I130 HydrophobicContact CB-CD1 3.94Å; V76-I130 HydrophobicContact CG1-CD1 4.49Å; V76-I130 HydrophobicContact CG2-CD1 3.64Å
77	L	84.8	Confident	84.1	Confident	79 Å²	79	46.6 Å²	46.6	41%	0.414	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.4	171.9	175.3	73.3	0	0	0	108.6	P41 S42 I83	P41-L77 WeakPolarHBondContact CA-O 3.33Å; S42-L77 PolarHBondContact N-O 3.22Å; S42-L77 PolarHBondContact O-N 3.06Å; L77-I83 HydrophobicContact CD1-CD1 4.44Å; L77-I83 HydrophobicContact CD1-CG1 3.73Å
78	I	82.9	Confident	84.4	Confident	13 Å²	13	43.8 Å²	43.8	7%	0.067	27%	0.266	C	S	.	.			trans	-111	127.6	174.3	-70.8	155.8	0	0	0	109.2	M1 P41 V76 G80 R81 Y84 I130 D134	M1-I78 HydrophobicContact CE-CD1 3.79Å; M1-I78 HydrophobicContact CE-CG1 3.78Å; P41-I78 HydrophobicContact CB-CG1 4.38Å; V76-I78 HydrophobicContact CG1-CD1 4.43Å; V76-I78 HydrophobicContact CG1-CG1 4.24Å; I78-G80 PolarHBondContact O-N 3.09Å; I78-R81 HydrophobicContact CB-CB 4.13Å; I78-R81 HydrophobicContact CG2-CB 4Å; I78-R81 HydrophobicContact CG2-CG 4.15Å; I78-R81 CarbonylContact O-C 3.53Å; I78-R81 PolarHBondContact O-N 2.58Å; I78-Y84 HydrophobicContact CD1-CD2 3.82Å; I78-Y84 HydrophobicContact CD1-CE2 3.57Å; I78-I130 HydrophobicContact CD1-CG2 3.53Å; I78-D134 VanDerWaalsContact CD1-OD2 3.29Å; I78-D134 WeakPolarHBondContact CD1-OD2 3.24Å
79	P	72.9	Confident	84.6	Confident	47 Å²	47	48.3 Å²	48.3	31%	0.305	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.6	121.9	177.5	-34.9	36.7	0	0	0	114.3	K38 R81	K38-P79 VanDerWaalsContact O-CB 3.26Å; K38-P79 WeakPolarHBondContact O-CB 3.41Å; K38-P79 VanDerWaalsContact O-CG 3.28Å; K38-P79 WeakPolarHBondContact O-CG 3.34Å; P79-R81 VanDerWaalsContact C-N 3.25Å; P79-R81 PolarHBondContact O-N 3.24Å
80	G	66.2	Low	84.6	Confident	90 Å²	90	48 Å²	48	93%	0.928	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	11.6	-179.8	0	0	0	0	0	114.9	I78	I78-G80 PolarHBondContact O-N 3.09Å
81	R	66.2	Low	84.4	Confident	78 Å²	78	51.8 Å²	51.8	29%	0.294	30%	0.3	S	S	.	.	S	Bend	trans	-136.5	-178.6	-178.8	-60.5	-169.7	178.7	-173.4	-3.4	111.6	I78 P79 D134 S137 D138	I78-R81 HydrophobicContact CB-CB 4.13Å; I78-R81 HydrophobicContact CG2-CB 4Å; I78-R81 HydrophobicContact CG2-CG 4.15Å; I78-R81 CarbonylContact O-C 3.53Å; I78-R81 PolarHBondContact O-N 2.58Å; P79-R81 VanDerWaalsContact C-N 3.25Å; P79-R81 PolarHBondContact O-N 3.24Å; R81-D134 VanDerWaalsContact CD-OD1 3.29Å; R81-D134 WeakPolarHBondContact CD-OD1 3.37Å; R81-D134 IonicContact CZ-OD1 2.7Å; R81-D134 IonicContact NE-OD1 2.77Å; R81-D134 VanDerWaalsContact NH1-C 3.34Å; R81-D134 VanDerWaalsContact NH1-CG 3.3Å; R81-D134 PolarHBondContact NH1-O 2.88Å; R81-D134 IonicContact NH1-OD1 3.36Å; R81-D134 PolarHBondContact NH1-OD1 3.21Å; R81-S137 PolarHBondContact NH1-OG 3.19Å; R81-D138 IonicContact CZ-OD1 3.71Å; R81-D138 IonicContact CZ-OD2 3.86Å; R81-D138 IonicContact NH1-OD2 2.89Å; R81-D138 IonicContact NH2-OD1 3.26Å; R81-D138 PolarHBondContact NH2-OD1 3.23Å; R81-D138 IonicContact NH2-OD2 2.77Å; R81-D138 PolarHBondContact NH2-OD2 3.01Å
82	D	67.6	Low	84.1	Confident	127 Å²	127	51.5 Å²	51.5	68%	0.679	29%	0.294	S	S	*	.			trans	-68.2	169.4	-176.5	-97.4	-55	0	0	0	115.1	Y84	D82-Y84 HydrophobicContact CB-CE2 4.49Å; D82-Y84 WeakPolarHBondContact O-CD2 3.31Å
83	I	79.9	Confident	83.2	Confident	101 Å²	101	52.8 Å²	52.8	52%	0.518	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	110.1	173.3	-61	172.2	0	0	0	108.5	L77 P85	L77-I83 HydrophobicContact CD1-CD1 4.44Å; L77-I83 HydrophobicContact CD1-CG1 3.73Å; I83-P85 VanDerWaalsContact O-CD 3.24Å; I83-P85 WeakPolarHBondContact O-CD 3.46Å
84	Y	83.9	Confident	82.4	Confident	56 Å²	56	50.9 Å²	50.9	22%	0.22	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	109.6	-179.8	-62.5	-95.4	0	0	0	110.3	S75 V76 I78 D82 I130	S75-Y84 CarbonylContact C-O 3.6Å; S75-Y84 VanDerWaalsContact CA-O 3.27Å; S75-Y84 WeakPolarHBondContact CA-O 3.37Å; V76-Y84 PolarHBondContact N-O 3.05Å; V76-Y84 PolarHBondContact O-N 3.1Å; I78-Y84 HydrophobicContact CD1-CD2 3.82Å; I78-Y84 HydrophobicContact CD1-CE2 3.57Å; D82-Y84 HydrophobicContact CB-CE2 4.49Å; D82-Y84 WeakPolarHBondContact O-CD2 3.31Å; Y84-I130 HydrophobicContact CD1-CG2 3.94Å; Y84-I130 HydrophobicContact CD2-CG2 3.75Å; Y84-I130 HydrophobicContact CE1-CG2 4.24Å; Y84-I130 HydrophobicContact CE2-CG2 4.08Å; Y84-I130 HydrophobicContact CG-CG1 4.42Å; Y84-I130 HydrophobicContact CG-CG2 3.68Å
85	P	86	Confident	81.2	Confident	96 Å²	96	55.5 Å²	55.5	62%	0.623	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	136.9	176.7	31	-34.6	0	0	0	110.8	I83	I83-P85 VanDerWaalsContact O-CD 3.24Å; I83-P85 WeakPolarHBondContact O-CD 3.46Å
86	I	90.5	Very high	80	Confident	19 Å²	19	55.6 Å²	55.6	10%	0.097	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	154.4	173.4	56.6	169.8	0	0	0	111	L43 A74 V76 L123 K126 I130	L43-I86 HydrophobicContact CD1-CD1 3.94Å; A74-I86 CarbonylContact C-O 3.46Å; A74-I86 HydrophobicContact CB-CD1 4.38Å; A74-I86 HydrophobicContact CB-CG1 3.95Å; A74-I86 PolarHBondContact N-O 2.67Å; A74-I86 PolarHBondContact O-N 3.24Å; V76-I86 HydrophobicContact CG2-CD1 4Å; I86-L123 HydrophobicContact CB-CD2 4.45Å; I86-L123 HydrophobicContact CD1-CB 4.46Å; I86-L123 HydrophobicContact CD1-CD2 3.9Å; I86-L123 HydrophobicContact CG1-CD2 4.01Å; I86-K126 HydrophobicContact CB-CD 4.33Å; I86-K126 HydrophobicContact CG2-CB 4.14Å; I86-K126 HydrophobicContact CG2-CD 4.38Å; I86-I130 HydrophobicContact CG2-CD1 3.93Å
87	S	91.1	Very high	78.5	Confident	61 Å²	61	58.9 Å²	58.9	43%	0.427	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	156.4	-179.7	60.3	0	0	0	0	111.8	V72 K126	V72-S87 CarbonylContact O-C 3.51Å; V72-S87 WeakPolarHBondContact O-CA 3.31Å; V72-S87 WeakPolarHBondContact O-CB 3.03Å; S87-K126 WeakPolarHBondContact O-CE 3.4Å; S87-K126 PolarHBondContact O-NZ 2.96Å
88	A	88.8	Confident	77.2	Confident	2 Å²	2	59.1 Å²	59.1	2%	0.017	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145	168.2	0	0	0	0	0	109	V72 A119 Q122 L123	V72-A88 HydrophobicContact CB-CB 4.34Å; V72-A88 PolarHBondContact N-O 2.83Å; V72-A88 PolarHBondContact O-N 3.39Å; A88-A119 HydrophobicContact CB-CB 4.19Å; A88-Q122 HydrophobicContact CB-CB 3.66Å; A88-Q122 HydrophobicContact CB-CG 4.49Å; A88-Q122 VanDerWaalsContact CB-OE1 3.27Å; A88-L123 HydrophobicContact CB-CD2 4.12Å; A88-L123 HydrophobicContact CB-CG 4.03Å
89	K	90.1	Very high	75.9	Confident	99 Å²	99	66.3 Å²	66.3	43%	0.43	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	120.6	173.6	-165	172.3	-175.8	179.6	0	108.1	V69 M70 F91 Q122	V69-K89 HydrophobicContact CG1-CD 4.37Å; V69-K89 HydrophobicContact CG1-CG 4.1Å; M70-K89 CarbonylContact O-C 3.56Å; M70-K89 WeakPolarHBondContact O-CA 3.21Å; K89-F91 HydrophobicContact CD-CE1 4.46Å; K89-F91 HydrophobicContact CD-CE2 4.33Å; K89-F91 HydrophobicContact CD-CZ 3.77Å; K89-F91 HydrophobicContact CG-CE2 4.09Å; K89-F91 HydrophobicContact CG-CZ 3.93Å; K89-Q122 PolarHBondContact O-NE2 2.8Å; K89-Q122 PolarHBondContact O-OE1 2.81Å
90	V	87.3	Confident	75	Confident	5 Å²	5	69.1 Å²	69.1	3%	0.03	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.5	-176.5	-174.9	0	0	0	0	108.5	M70 M115 R118 A119	M70-V90 HydrophobicContact CB-CB 4.47Å; M70-V90 PolarHBondContact N-O 2.78Å; M70-V90 PolarHBondContact O-N 2.88Å; V90-M115 HydrophobicContact CG1-CB 4.2Å; V90-M115 HydrophobicContact CG1-CG 4.07Å; V90-M115 WeakPolarHBondContact O-CE 3.41Å; V90-R118 HydrophobicContact CG1-CB 3.98Å; V90-R118 HydrophobicContact CG2-CB 3.97Å; V90-A119 HydrophobicContact CG2-CB 3.93Å
91	F	87.4	Confident	74.1	Confident	78 Å²	78	68.1 Å²	68.1	34%	0.342	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	148.3	174.7	-54.4	-92.1	0	0	0	108.6	M68 V69 K89 E386	M68-F91 CarbonylContact O-C 3.49Å; M68-F91 WeakPolarHBondContact O-CA 3.27Å; V69-F91 HydrophobicContact CB-CD1 4.39Å; V69-F91 HydrophobicContact CG1-CD1 3.86Å; V69-F91 HydrophobicContact CG1-CE1 3.69Å; V69-F91 HydrophobicContact CG1-CZ 4.42Å; V69-F91 HydrophobicContact CG2-CD1 3.85Å; V69-F91 HydrophobicContact CG2-CE1 4.15Å; K89-F91 HydrophobicContact CD-CE1 4.46Å; K89-F91 HydrophobicContact CD-CE2 4.33Å; K89-F91 HydrophobicContact CD-CZ 3.77Å; K89-F91 HydrophobicContact CG-CE2 4.09Å; K89-F91 HydrophobicContact CG-CZ 3.93Å; F91-E386 VanDerWaalsContact O-OE1 3.13Å
92	R	83.3	Confident	72.8	Confident	45 Å²	45	71.5 Å²	71.5	17%	0.17	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	137.2	166.7	-82.1	-68.1	170	-89.2	10.2	109.8	Q67 M68 I111 E114 M115 E386	Q67-R92 CarbonylContact C-O 3.58Å; Q67-R92 WeakPolarHBondContact CA-O 3.48Å; M68-R92 PolarHBondContact N-O 3.46Å; M68-R92 PolarHBondContact O-N 3.49Å; R92-I111 HydrophobicContact CB-CG2 3.62Å; R92-I111 HydrophobicContact CG-CG2 3.85Å; R92-E114 IonicContact CZ-OE1 3.74Å; R92-E114 IonicContact CZ-OE2 3.93Å; R92-E114 VanDerWaalsContact CZ-OE2 3.27Å; R92-E114 IonicContact NE-OE2 2.73Å; R92-E114 PolarHBondContact NE-OE2 3.2Å; R92-E114 IonicContact NH2-OE1 3.61Å; R92-E114 PolarHBondContact NH2-OE1 2.84Å; R92-E114 IonicContact NH2-OE2 2.71Å; R92-E114 PolarHBondContact NH2-OE2 2.89Å; R92-M115 HydrophobicContact CB-CE 4.1Å; R92-M115 HydrophobicContact CB-CG 4.19Å; R92-M115 HydrophobicContact CB-SD 4.01Å; R92-M115 HydrophobicContact CG-CE 4.3Å; R92-M115 HydrophobicContact CG-CG 3.51Å; R92-M115 HydrophobicContact CG-SD 4.02Å; R92-E386 IonicContact CZ-OE1 3.88Å; R92-E386 IonicContact NE-OE1 2.99Å; R92-E386 IonicContact NH1-OE1 2.72Å; R92-E386 PolarHBondContact NH1-OE1 3.33Å
93	S	74.5	Confident	72.1	Confident	28 Å²	28	67.3 Å²	67.3	20%	0.196	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.3	178.5	-49.6	0	0	0	0	110.9	Y66 E386	Y66-S93 CarbonylContact O-C 3.56Å; Y66-S93 WeakPolarHBondContact O-CA 3.28Å; S93-E386 PolarHBondContact N-OE2 3.09Å; S93-E386 PolarHBondContact OG-OE2 2.75Å; S93-E386 VanDerWaalsContact OG-OE2 3.07Å
94	F	74.6	Confident	70.9	Confident	10 Å²	10	65.7 Å²	65.7	4%	0.044	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	160.9	176.3	80.7	-87.6	0	0	0	113.2	Q52 E65 Y66 M68 I111	Q52-F94 HydrophobicContact CG-CE1 4.3Å; E65-F94 WeakPolarHBondContact CA-O 3.45Å; Y66-F94 VanDerWaalsContact CB-CE1 3.5Å; Y66-F94 HydrophobicContact CD2-CE2 4.13Å; Y66-F94 AromaticContact CD2-CZ 3.99Å; Y66-F94 HydrophobicContact CD2-CZ 3.99Å; Y66-F94 HydrophobicContact CG-CE1 4.37Å; Y66-F94 HydrophobicContact CG-CZ 4.2Å; Y66-F94 PolarHBondContact N-O 3.27Å; Y66-F94 PolarHBondContact O-N 3.28Å; M68-F94 HydrophobicContact CG-CD1 3.92Å; M68-F94 HydrophobicContact CG-CE1 3.66Å; M68-F94 HydrophobicContact SD-CD1 3.98Å; M68-F94 HydrophobicContact SD-CE1 3.7Å; F94-I111 HydrophobicContact CB-CD1 3.69Å; F94-I111 HydrophobicContact CG-CD1 4.36Å
95	F	67.7	Low	69.8	Low	105 Å²	105	67.8 Å²	67.8	46%	0.461	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.6	-177.3	-63.1	-69.8	0	0	0	111.8	F58 E65 N97	F58-F95 AromaticContact CE2-CD1 3.86Å; F58-F95 HydrophobicContact CE2-CD1 3.86Å; F58-F95 AromaticContact CE2-CE1 3.9Å; F58-F95 HydrophobicContact CE2-CE1 3.9Å; F58-F95 AromaticContact CZ-CD1 3.98Å; F58-F95 HydrophobicContact CZ-CD1 3.98Å; F58-F95 AromaticContact CZ-CE1 3.73Å; F58-F95 HydrophobicContact CZ-CE1 3.73Å; E65-F95 HydrophobicContact CB-CD1 4.05Å; E65-F95 HydrophobicContact CB-CE1 3.91Å; E65-F95 HydrophobicContact CG-CD1 4.17Å; E65-F95 HydrophobicContact CG-CE1 3.71Å; E65-F95 HydrophobicContact CG-CZ 4.44Å; E65-F95 WeakPolarHBondContact OE1-CE1 3.4Å; F95-N97 PolarHBondContact O-N 2.78Å
96	D	64.4	Low	68.8	Low	28 Å²	28	68 Å²	68	15%	0.15	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	106.6	173.1	-165.1	4.1	0	0	0	110.3	A64 Y66 K104	A64-D96 PolarHBondContact O-N 3.44Å; Y66-D96 HydrophobicContact CD2-CB 3.85Å; Y66-D96 HydrophobicContact CE2-CB 3.58Å; D96-K104 WeakPolarHBondContact OD1-CE 3.44Å; D96-K104 IonicContact OD1-NZ 2.71Å; D96-K104 PolarHBondContact OD1-NZ 3.3Å; D96-K104 IonicContact OD2-NZ 3.7Å; D96-K104 PolarHBondContact OD2-NZ 2.75Å
97	N	58.7	Low	67.7	Low	69 Å²	69	71.5 Å²	71.5	37%	0.369	38%	0.378	S	S	.	.			trans	-104.8	110.1	170.4	-179.1	-4.8	0	0	0	109.4	F95 Q99 M100	F95-N97 PolarHBondContact O-N 2.78Å; N97-Q99 PolarHBondContact O-N 3.25Å; N97-Q99 WeakPolarHBondContact OD1-CB 3.26Å; N97-Q99 PolarHBondContact OD1-N 3.04Å; N97-Q99 VanDerWaalsContact OD1-N 3.13Å; N97-M100 PolarHBondContact O-N 3.04Å
98	P	56.9	Low	66.9	Low	84 Å²	84	70.8 Å²	70.8	55%	0.545	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-56.6	-15.5	-178.4	-27.9	35.3	0	0	0	115.5	Q62	Q62-P98 WeakPolarHBondContact O-CD 3.38Å; Q62-P98 WeakPolarHBondContact O-CG 3.38Å
99	Q	56.1	Low	66.5	Low	165 Å²	165	77.4 Å²	77.4	77%	0.771	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-81	-8.1	-177.4	-57.8	-175.9	3.3	0	0	114.1	N97	N97-Q99 PolarHBondContact O-N 3.25Å; N97-Q99 WeakPolarHBondContact OD1-CB 3.26Å; N97-Q99 PolarHBondContact OD1-N 3.04Å; N97-Q99 VanDerWaalsContact OD1-N 3.13Å
100	M	53.4	Low	66	Low	106 Å²	106	79.4 Å²	79.4	52%	0.522	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-131.5	47.8	-175.4	-56.4	-154.4	-48.2	0	0	114.8	N97 L102 A103 K104	N97-M100 PolarHBondContact O-N 3.04Å; M100-L102 VanDerWaalsContact C-N 3.26Å; M100-L102 PolarHBondContact O-N 3.16Å; M100-L102 VanDerWaalsContact O-N 3.08Å; M100-A103 HydrophobicContact CB-CB 4.04Å; M100-A103 HydrophobicContact CE-CB 4.15Å; M100-A103 WeakPolarHBondContact O-CB 3.28Å; M100-A103 PolarHBondContact O-N 3.12Å; M100-K104 PolarHBondContact O-N 3.47Å
101	A	48.7	Very low	65.8	Low	68 Å²	68	80.3 Å²	80.3	56%	0.562	42%	0.415	S	S	*	.	H	α-helix	trans	-51.3	-34.8	-176.3	0	0	0	0	0	115.7	K104	A101-K104 WeakPolarHBondContact O-CB 3.46Å; A101-K104 PolarHBondContact O-N 2.84Å
102	L	39.2	Very low	65.8	Low	150 Å²	150	78.7 Å²	78.7	79%	0.785	41%	0.41	S	S	*	.	H	α-helix	trans	-78.4	-16.2	177.5	-87.5	162.2	0	0	0	114.5	M100 N106	M100-L102 VanDerWaalsContact C-N 3.26Å; M100-L102 PolarHBondContact O-N 3.16Å; M100-L102 VanDerWaalsContact O-N 3.08Å; L102-N106 PolarHBondContact O-ND2 3.07Å
103	A	51.3	Low	66	Low	38 Å²	38	83.3 Å²	83.3	31%	0.314	43%	0.431	S	S	.	.	H	α-helix	trans	-81.3	-36.4	170.2	0	0	0	0	0	111	M100 D105 N106 E107	M100-A103 HydrophobicContact CB-CB 4.04Å; M100-A103 HydrophobicContact CE-CB 4.15Å; M100-A103 WeakPolarHBondContact O-CB 3.28Å; M100-A103 PolarHBondContact O-N 3.12Å; A103-D105 PolarHBondContact O-N 2.78Å; A103-N106 PolarHBondContact O-N 2.81Å; A103-E107 WeakPolarHBondContact O-CB 3.39Å; A103-E107 PolarHBondContact O-N 2.79Å
104	K	55.4	Low	66.7	Low	68 Å²	68	85.1 Å²	85.1	30%	0.296	44%	0.436	S	S	.	.	H	α-helix	trans	-49.7	-53.7	-176.6	-173.6	175.1	-175.4	161.1	0	113.5	D96 M100 A101 N106 E107 Q108	D96-K104 WeakPolarHBondContact OD1-CE 3.44Å; D96-K104 IonicContact OD1-NZ 2.71Å; D96-K104 PolarHBondContact OD1-NZ 3.3Å; D96-K104 IonicContact OD2-NZ 3.7Å; D96-K104 PolarHBondContact OD2-NZ 2.75Å; M100-K104 PolarHBondContact O-N 3.47Å; A101-K104 WeakPolarHBondContact O-CB 3.46Å; A101-K104 PolarHBondContact O-N 2.84Å; K104-N106 VanDerWaalsContact C-N 3.35Å; K104-N106 PolarHBondContact O-N 2.99Å; K104-E107 PolarHBondContact O-N 2.76Å; K104-Q108 VanDerWaalsContact O-CB 3.32Å; K104-Q108 WeakPolarHBondContact O-CB 3.49Å; K104-Q108 PolarHBondContact O-N 2.86Å
105	D	59.8	Low	67.5	Low	100 Å²	100	84.6 Å²	84.6	54%	0.535	43%	0.434	S	S	.	.	H	α-helix	trans	-63.5	-41.6	-176.9	-58.7	-13.5	0	0	0	111.4	A103 Q108 E109	A103-D105 PolarHBondContact O-N 2.78Å; D105-Q108 PolarHBondContact O-N 2.63Å; D105-E109 WeakPolarHBondContact O-CB 3.38Å; D105-E109 WeakPolarHBondContact O-CG 3.39Å; D105-E109 PolarHBondContact O-N 3.31Å
106	N	65.5	Low	68.8	Low	99 Å²	99	81.5 Å²	81.5	53%	0.529	42%	0.42	S	S	.	.	H	α-helix	trans	-66.7	-41.7	177.6	-71	-81.9	0	0	0	112.2	L102 A103 K104 M110	L102-N106 PolarHBondContact O-ND2 3.07Å; A103-N106 PolarHBondContact O-N 2.81Å; K104-N106 VanDerWaalsContact C-N 3.35Å; K104-N106 PolarHBondContact O-N 2.99Å; N106-M110 WeakPolarHBondContact O-CB 3.31Å; N106-M110 WeakPolarHBondContact O-CG 3.45Å; N106-M110 PolarHBondContact O-N 2.95Å
107	E	67.7	Low	70	Confident	94 Å²	94	83.2 Å²	83.2	44%	0.439	43%	0.429	S	S	.	.	H	α-helix	trans	-66.5	-43.4	177.1	-174.1	169.1	-171.7	0	0	110.9	A103 K104 M110 I111	A103-E107 WeakPolarHBondContact O-CB 3.39Å; A103-E107 PolarHBondContact O-N 2.79Å; K104-E107 PolarHBondContact O-N 2.76Å; E107-M110 PolarHBondContact O-N 2.9Å; E107-I111 HydrophobicContact CG-CD1 4.04Å; E107-I111 WeakPolarHBondContact O-CB 3.45Å; E107-I111 VanDerWaalsContact O-CG1 3.26Å; E107-I111 WeakPolarHBondContact O-CG1 3.34Å; E107-I111 PolarHBondContact O-N 2.78Å
108	Q	75.1	Confident	71.5	Confident	46 Å²	46	84.9 Å²	84.9	22%	0.215	43%	0.43	C	S	.	.	H	α-helix	trans	-65.2	-40.8	176.3	-170.2	166.5	9	0	0	112.1	M68 K104 D105 I111 I112	M68-Q108 HydrophobicContact CE-CG 4.4Å; M68-Q108 HydrophobicContact SD-CG 4.18Å; K104-Q108 VanDerWaalsContact O-CB 3.32Å; K104-Q108 WeakPolarHBondContact O-CB 3.49Å; K104-Q108 PolarHBondContact O-N 2.86Å; D105-Q108 PolarHBondContact O-N 2.63Å; Q108-I111 PolarHBondContact O-N 2.9Å; Q108-I112 HydrophobicContact CG-CD1 4Å; Q108-I112 WeakPolarHBondContact O-CB 3.38Å; Q108-I112 VanDerWaalsContact O-CG1 3.24Å; Q108-I112 WeakPolarHBondContact O-CG1 3.34Å; Q108-I112 PolarHBondContact O-N 3.11Å
109	E	79	Confident	73.2	Confident	141 Å²	141	80.9 Å²	80.9	66%	0.659	40%	0.404	S	S	*	.	H	α-helix	trans	-62	-42.3	171.6	-80.6	-166.2	177.7	0	0	112.5	D105 I112 K113	D105-E109 WeakPolarHBondContact O-CB 3.38Å; D105-E109 WeakPolarHBondContact O-CG 3.39Å; D105-E109 PolarHBondContact O-N 3.31Å; E109-I112 PolarHBondContact O-N 3.15Å; E109-K113 VanDerWaalsContact O-CB 3.29Å; E109-K113 WeakPolarHBondContact O-CB 3.4Å; E109-K113 PolarHBondContact O-N 2.81Å
110	M	80.4	Confident	75	Confident	140 Å²	140	73 Å²	73	69%	0.69	37%	0.367	S	S	*	.	H	α-helix	trans	-63	-41.7	176.2	-78.6	-178.1	56.5	0	0	112.1	N106 E107 K113 E114	N106-M110 WeakPolarHBondContact O-CB 3.31Å; N106-M110 WeakPolarHBondContact O-CG 3.45Å; N106-M110 PolarHBondContact O-N 2.95Å; E107-M110 PolarHBondContact O-N 2.9Å; M110-K113 PolarHBondContact O-N 3.21Å; M110-E114 PolarHBondContact O-N 2.78Å
111	I	83.5	Confident	76.7	Confident	24 Å²	24	70.1 Å²	70.1	12%	0.123	35%	0.352	C	S	.	.	H	α-helix	trans	-63.8	-51.4	176.3	-72.8	170	0	0	0	110.6	M68 R92 F94 E107 Q108 K113 E114 M115	M68-I111 HydrophobicContact SD-CG2 4.04Å; R92-I111 HydrophobicContact CB-CG2 3.62Å; R92-I111 HydrophobicContact CG-CG2 3.85Å; F94-I111 HydrophobicContact CB-CD1 3.69Å; F94-I111 HydrophobicContact CG-CD1 4.36Å; E107-I111 HydrophobicContact CG-CD1 4.04Å; E107-I111 WeakPolarHBondContact O-CB 3.45Å; E107-I111 VanDerWaalsContact O-CG1 3.26Å; E107-I111 WeakPolarHBondContact O-CG1 3.34Å; E107-I111 PolarHBondContact O-N 2.78Å; Q108-I111 PolarHBondContact O-N 2.9Å; I111-K113 PolarHBondContact O-N 2.67Å; I111-E114 PolarHBondContact O-N 3.47Å; I111-E114 VanDerWaalsContact O-N 3.11Å; I111-M115 HydrophobicContact CG2-SD 4.12Å; I111-M115 VanDerWaalsContact O-CG 3.32Å; I111-M115 WeakPolarHBondContact O-CG 3.45Å; I111-M115 PolarHBondContact O-N 2.88Å
112	I	87.5	Confident	78.7	Confident	45 Å²	45	70.2 Å²	70.2	23%	0.231	34%	0.341	C	S	.	.	H	α-helix	trans	-56.1	-41.6	177.2	-72.3	166.6	0	0	0	110.9	I50 M68 Q108 E109 M115 Y116	I50-I112 HydrophobicContact CD1-CG2 4.32Å; M68-I112 HydrophobicContact CE-CD1 3.97Å; M68-I112 HydrophobicContact CE-CG1 3.59Å; Q108-I112 HydrophobicContact CG-CD1 4Å; Q108-I112 WeakPolarHBondContact O-CB 3.38Å; Q108-I112 VanDerWaalsContact O-CG1 3.24Å; Q108-I112 WeakPolarHBondContact O-CG1 3.34Å; Q108-I112 PolarHBondContact O-N 3.11Å; E109-I112 PolarHBondContact O-N 3.15Å; I112-M115 WeakPolarHBondContact O-CB 3.36Å; I112-M115 PolarHBondContact O-N 3.44Å; I112-Y116 HydrophobicContact CG2-CD2 3.92Å; I112-Y116 HydrophobicContact CG2-CE2 3.47Å; I112-Y116 VanDerWaalsContact CG2-CE2 3.47Å; I112-Y116 WeakPolarHBondContact O-CD2 3.45Å; I112-Y116 PolarHBondContact O-N 2.92Å; I112-Y116 VanDerWaalsContact O-N 3.13Å
113	K	87.5	Confident	81.2	Confident	142 Å²	142	63 Å²	63	62%	0.617	30%	0.304	S	S	*	.	H	α-helix	trans	-62.5	-45.9	176.4	-177.1	-174.9	172.6	-169.1	0	112.3	E109 M110 I111 M115 Y116 D117	E109-K113 VanDerWaalsContact O-CB 3.29Å; E109-K113 WeakPolarHBondContact O-CB 3.4Å; E109-K113 PolarHBondContact O-N 2.81Å; M110-K113 PolarHBondContact O-N 3.21Å; I111-K113 PolarHBondContact O-N 2.67Å; K113-M115 VanDerWaalsContact C-N 3.3Å; K113-M115 PolarHBondContact O-N 3.15Å; K113-Y116 PolarHBondContact O-N 3.13Å; K113-D117 PolarHBondContact O-N 3Å
114	E	87.8	Confident	83	Confident	65 Å²	65	61.7 Å²	61.7	30%	0.304	29%	0.291	S	S	.	.	H	α-helix	trans	-64.1	-37.3	176.3	-153.7	-134.6	149.9	0	0	111.4	R92 M110 I111 Y116 D117 R118	R92-E114 IonicContact CZ-OE1 3.74Å; R92-E114 IonicContact CZ-OE2 3.93Å; R92-E114 VanDerWaalsContact CZ-OE2 3.27Å; R92-E114 IonicContact NE-OE2 2.73Å; R92-E114 PolarHBondContact NE-OE2 3.2Å; R92-E114 IonicContact NH2-OE1 3.61Å; R92-E114 PolarHBondContact NH2-OE1 2.84Å; R92-E114 IonicContact NH2-OE2 2.71Å; R92-E114 PolarHBondContact NH2-OE2 2.89Å; M110-E114 PolarHBondContact O-N 2.78Å; I111-E114 PolarHBondContact O-N 3.47Å; I111-E114 VanDerWaalsContact O-N 3.11Å; E114-Y116 VanDerWaalsContact C-N 3.29Å; E114-Y116 PolarHBondContact O-N 2.81Å; E114-D117 PolarHBondContact O-N 3.36Å; E114-R118 WeakPolarHBondContact O-CG 3.48Å; E114-R118 PolarHBondContact O-N 3.07Å; E114-R118 IonicContact OE1-CZ 2.77Å; E114-R118 IonicContact OE1-NE 2.69Å; E114-R118 PolarHBondContact OE1-NE 2.95Å; E114-R118 IonicContact OE1-NH2 3.17Å
115	M	92.1	Very high	84.4	Confident	0 Å²	0	67 Å²	67	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59	-39.4	175	-66	174.2	97.2	0	0	112.1	M68 M70 V90 R92 I111 I112 K113 R118 A119	M68-M115 HydrophobicContact CB-CE 3.83Å; M68-M115 HydrophobicContact CB-SD 4.04Å; M68-M115 WeakPolarHBondContact O-CE 3Å; M70-M115 HydrophobicContact CB-CB 4.3Å; M70-M115 HydrophobicContact CB-CE 3.69Å; M70-M115 HydrophobicContact CB-SD 4.43Å; M70-M115 HydrophobicContact CE-CB 3.55Å; M70-M115 HydrophobicContact SD-CB 3.96Å; V90-M115 HydrophobicContact CG1-CB 4.2Å; V90-M115 HydrophobicContact CG1-CG 4.07Å; V90-M115 WeakPolarHBondContact O-CE 3.41Å; R92-M115 HydrophobicContact CB-CE 4.1Å; R92-M115 HydrophobicContact CB-CG 4.19Å; R92-M115 HydrophobicContact CB-SD 4.01Å; R92-M115 HydrophobicContact CG-CE 4.3Å; R92-M115 HydrophobicContact CG-CG 3.51Å; R92-M115 HydrophobicContact CG-SD 4.02Å; I111-M115 HydrophobicContact CG2-SD 4.12Å; I111-M115 VanDerWaalsContact O-CG 3.32Å; I111-M115 WeakPolarHBondContact O-CG 3.45Å; I111-M115 PolarHBondContact O-N 2.88Å; I112-M115 WeakPolarHBondContact O-CB 3.36Å; I112-M115 PolarHBondContact O-N 3.44Å; K113-M115 VanDerWaalsContact C-N 3.3Å; K113-M115 PolarHBondContact O-N 3.15Å; M115-R118 PolarHBondContact O-N 3.03Å; M115-A119 VanDerWaalsContact O-CB 3.28Å; M115-A119 WeakPolarHBondContact O-CB 3.32Å; M115-A119 PolarHBondContact O-N 2.96Å
116	Y	94.4	Very high	85.6	Confident	40 Å²	40	66.1 Å²	66.1	16%	0.157	30%	0.301	C	S	.	.	H	α-helix	trans	-65.3	-42.5	174.3	-76.3	-63.2	0	0	0	113.1	P14 L15 V48 M70 I112 K113 E114 R118 A119 A120	P14-Y116 HydrophobicContact CB-CD1 4.41Å; P14-Y116 HydrophobicContact CB-CD2 3.55Å; P14-Y116 HydrophobicContact CB-CE2 3.74Å; P14-Y116 HydrophobicContact CB-CG 3.91Å; P14-Y116 HydrophobicContact CG-CD1 4.35Å; P14-Y116 HydrophobicContact CG-CD2 3.72Å; P14-Y116 HydrophobicContact CG-CE1 4.03Å; P14-Y116 HydrophobicContact CG-CE2 3.33Å; P14-Y116 HydrophobicContact CG-CG 4.21Å; L15-Y116 HydrophobicContact CB-CD1 3.68Å; L15-Y116 HydrophobicContact CB-CE1 3.92Å; L15-Y116 HydrophobicContact CD1-CD1 4.22Å; V48-Y116 HydrophobicContact CG1-CE1 4.18Å; M70-Y116 HydrophobicContact CE-CD1 3.63Å; M70-Y116 HydrophobicContact CE-CD2 3.85Å; M70-Y116 HydrophobicContact CE-CE1 3.6Å; M70-Y116 HydrophobicContact CE-CE2 3.82Å; M70-Y116 HydrophobicContact CE-CG 3.76Å; M70-Y116 HydrophobicContact SD-CD1 3.81Å; M70-Y116 HydrophobicContact SD-CE1 4.04Å; M70-Y116 HydrophobicContact SD-CG 4.31Å; I112-Y116 HydrophobicContact CG2-CD2 3.92Å; I112-Y116 HydrophobicContact CG2-CE2 3.47Å; I112-Y116 VanDerWaalsContact CG2-CE2 3.47Å; I112-Y116 WeakPolarHBondContact O-CD2 3.45Å; I112-Y116 PolarHBondContact O-N 2.92Å; I112-Y116 VanDerWaalsContact O-N 3.13Å; K113-Y116 PolarHBondContact O-N 3.13Å; E114-Y116 VanDerWaalsContact C-N 3.29Å; E114-Y116 PolarHBondContact O-N 2.81Å; Y116-R118 VanDerWaalsContact C-N 3.34Å; Y116-A119 PolarHBondContact O-N 2.99Å; Y116-A120 WeakPolarHBondContact O-CB 3.39Å; Y116-A120 PolarHBondContact O-N 3.48Å
117	D	90.2	Very high	86.6	Confident	63 Å²	63	62.4 Å²	62.4	34%	0.337	28%	0.281	S	S	.	.	H	α-helix	trans	-64.5	-38.3	177.2	-77.3	-37.5	0	0	0	111.6	A18 K113 E114 E121	A18-D117 WeakPolarHBondContact CB-OD1 3.39Å; K113-D117 PolarHBondContact O-N 3Å; E114-D117 PolarHBondContact O-N 3.36Å; D117-E121 PolarHBondContact O-N 2.9Å
118	R	90.8	Very high	86.9	Confident	105 Å²	105	62.2 Å²	62.2	40%	0.396	29%	0.288	S	S	.	.	H	α-helix	trans	-71.1	-38.6	174	-66	-55.1	-173.5	169	6.6	113.7	V90 E114 M115 Y116 A120 E121 Q122	V90-R118 HydrophobicContact CG1-CB 3.98Å; V90-R118 HydrophobicContact CG2-CB 3.97Å; E114-R118 WeakPolarHBondContact O-CG 3.48Å; E114-R118 PolarHBondContact O-N 3.07Å; E114-R118 IonicContact OE1-CZ 2.77Å; E114-R118 IonicContact OE1-NE 2.69Å; E114-R118 PolarHBondContact OE1-NE 2.95Å; E114-R118 IonicContact OE1-NH2 3.17Å; M115-R118 PolarHBondContact O-N 3.03Å; Y116-R118 VanDerWaalsContact C-N 3.34Å; R118-A120 VanDerWaalsContact C-N 3.33Å; R118-E121 IonicContact CZ-OE2 3.32Å; R118-E121 IonicContact NH1-OE2 2.79Å; R118-E121 PolarHBondContact NH1-OE2 3.46Å; R118-E121 WeakPolarHBondContact O-CB 3.35Å; R118-E121 PolarHBondContact O-N 2.75Å; R118-Q122 PolarHBondContact O-N 2.98Å
119	A	92.4	Very high	86.6	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.5	-40.8	176.3	0	0	0	0	0	110.7	L15 M70 V72 A88 V90 M115 Y116 Q122 L123	L15-A119 HydrophobicContact CD1-CB 4.38Å; M70-A119 HydrophobicContact SD-CB 4.03Å; V72-A119 HydrophobicContact CB-CB 4.48Å; V72-A119 HydrophobicContact CG2-CB 3.71Å; A88-A119 HydrophobicContact CB-CB 4.19Å; V90-A119 HydrophobicContact CG2-CB 3.93Å; M115-A119 VanDerWaalsContact O-CB 3.28Å; M115-A119 WeakPolarHBondContact O-CB 3.32Å; M115-A119 PolarHBondContact O-N 2.96Å; Y116-A119 PolarHBondContact O-N 2.99Å; A119-Q122 PolarHBondContact O-N 3.03Å; A119-L123 WeakPolarHBondContact O-CG 3.48Å; A119-L123 PolarHBondContact O-N 3.28Å
120	A	93	Very high	86.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.7	-44.8	171.2	0	0	0	0	0	112	A18 V19 Q22 Y116 R118 Q122 L123 I124	A18-A120 HydrophobicContact CB-CB 3.63Å; V19-A120 HydrophobicContact CB-CB 4.46Å; V19-A120 HydrophobicContact CG2-CB 3.72Å; Q22-A120 HydrophobicContact CG-CB 3.86Å; Y116-A120 WeakPolarHBondContact O-CB 3.39Å; Y116-A120 PolarHBondContact O-N 3.48Å; R118-A120 VanDerWaalsContact C-N 3.33Å; A120-Q122 PolarHBondContact O-N 3.5Å; A120-L123 PolarHBondContact O-N 3.32Å; A120-I124 WeakPolarHBondContact O-CG1 3.11Å; A120-I124 PolarHBondContact O-N 3.29Å
121	E	89.2	Confident	85.4	Confident	45 Å²	45	57.6 Å²	57.6	21%	0.21	27%	0.266	C	S	.	.	H	α-helix	trans	-56.4	-48.9	175.6	-164.7	-169.5	164.1	0	0	111.9	D117 R118 L123 I124 R125	D117-E121 PolarHBondContact O-N 2.9Å; R118-E121 IonicContact CZ-OE2 3.32Å; R118-E121 IonicContact NH1-OE2 2.79Å; R118-E121 PolarHBondContact NH1-OE2 3.46Å; R118-E121 WeakPolarHBondContact O-CB 3.35Å; R118-E121 PolarHBondContact O-N 2.75Å; E121-L123 PolarHBondContact O-N 3.22Å; E121-I124 PolarHBondContact O-N 3.24Å; E121-R125 WeakPolarHBondContact O-CG 3.16Å; E121-R125 PolarHBondContact O-N 3.18Å; E121-R125 IonicContact OE1-CZ 3.22Å; E121-R125 IonicContact OE1-NE 3.44Å; E121-R125 PolarHBondContact OE1-NE 2.61Å; E121-R125 IonicContact OE1-NH2 2.69Å; E121-R125 PolarHBondContact OE1-NH2 3.03Å
122	Q	90.9	Very high	84	Confident	69 Å²	69	58.2 Å²	58.2	32%	0.322	28%	0.275	S	S	.	.	H	α-helix	trans	-61	-40.7	177	-74.2	-174	11.8	0	0	113	A88 K89 R118 A119 A120	A88-Q122 HydrophobicContact CB-CB 3.66Å; A88-Q122 HydrophobicContact CB-CG 4.49Å; A88-Q122 VanDerWaalsContact CB-OE1 3.27Å; K89-Q122 PolarHBondContact O-NE2 2.8Å; K89-Q122 PolarHBondContact O-OE1 2.81Å; R118-Q122 PolarHBondContact O-N 2.98Å; A119-Q122 PolarHBondContact O-N 3.03Å; A120-Q122 PolarHBondContact O-N 3.5Å
123	L	91.7	Very high	82.4	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.5	-43.8	177.8	-71.4	177	0	0	0	111.8	V19 L45 V72 A74 I86 A88 A119 A120 E121 K126	V19-L123 HydrophobicContact CG2-CD1 4.44Å; L45-L123 HydrophobicContact CD2-CD1 4.21Å; V72-L123 HydrophobicContact CG1-CD1 3.92Å; A74-L123 HydrophobicContact CB-CD1 4.25Å; A74-L123 HydrophobicContact CB-CD2 4.13Å; I86-L123 HydrophobicContact CB-CD2 4.45Å; I86-L123 HydrophobicContact CD1-CB 4.46Å; I86-L123 HydrophobicContact CD1-CD2 3.9Å; I86-L123 HydrophobicContact CG1-CD2 4.01Å; A88-L123 HydrophobicContact CB-CD2 4.12Å; A88-L123 HydrophobicContact CB-CG 4.03Å; A119-L123 WeakPolarHBondContact O-CG 3.48Å; A119-L123 PolarHBondContact O-N 3.28Å; A120-L123 PolarHBondContact O-N 3.32Å; E121-L123 PolarHBondContact O-N 3.22Å; L123-K126 PolarHBondContact O-N 3.36Å; L123-K126 VanDerWaalsContact O-N 3.15Å
124	I	89.6	Confident	80.7	Confident	10 Å²	10	52 Å²	52	5%	0.051	25%	0.254	C	S	.	.	H	α-helix	trans	-69.5	-35.2	-178.8	-59.9	-42.6	0	0	0	111.7	V19 Q22 L23 N26 L43 A120 E121 K126 L127	V19-I124 HydrophobicContact CG1-CD1 4.43Å; Q22-I124 HydrophobicContact CB-CB 4.49Å; Q22-I124 HydrophobicContact CB-CG1 3.73Å; L23-I124 HydrophobicContact CD2-CD1 3.53Å; L23-I124 HydrophobicContact CD2-CG1 4.4Å; L23-I124 HydrophobicContact CG-CD1 3.74Å; L23-I124 HydrophobicContact CG-CG1 4.43Å; N26-I124 HydrophobicContact CB-CG2 4.18Å; L43-I124 HydrophobicContact CD2-CD1 4.18Å; A120-I124 WeakPolarHBondContact O-CG1 3.11Å; A120-I124 PolarHBondContact O-N 3.29Å; E121-I124 PolarHBondContact O-N 3.24Å; I124-K126 PolarHBondContact O-N 3.47Å; I124-K126 VanDerWaalsContact O-N 3.09Å; I124-L127 HydrophobicContact CD1-CD1 3.86Å; I124-L127 HydrophobicContact CG2-CD1 4.4Å; I124-L127 PolarHBondContact O-N 2.88Å; I124-L127 VanDerWaalsContact O-N 3.11Å
125	R	85.4	Confident	79	Confident	180 Å²	180	52.9 Å²	52.9	68%	0.679	26%	0.261	S	S	*	.	H	α-helix	trans	-58.2	-19.1	171.6	-74.3	177.8	-177.8	-136	8.7	113.9	E121 P128	E121-R125 WeakPolarHBondContact O-CG 3.16Å; E121-R125 PolarHBondContact O-N 3.18Å; E121-R125 IonicContact OE1-CZ 3.22Å; E121-R125 IonicContact OE1-NE 3.44Å; E121-R125 PolarHBondContact OE1-NE 2.61Å; E121-R125 IonicContact OE1-NH2 2.69Å; E121-R125 PolarHBondContact OE1-NH2 3.03Å; R125-P128 WeakPolarHBondContact O-CD 3.45Å
126	K	84.8	Confident	77	Confident	81 Å²	81	56 Å²	56	35%	0.352	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-7.7	177.8	-68.1	-178.1	176.5	-175.5	0	114.9	I86 S87 L123 I124 S129	I86-K126 HydrophobicContact CB-CD 4.33Å; I86-K126 HydrophobicContact CG2-CB 4.14Å; I86-K126 HydrophobicContact CG2-CD 4.38Å; S87-K126 WeakPolarHBondContact O-CE 3.4Å; S87-K126 PolarHBondContact O-NZ 2.96Å; L123-K126 PolarHBondContact O-N 3.36Å; L123-K126 VanDerWaalsContact O-N 3.15Å; I124-K126 PolarHBondContact O-N 3.47Å; I124-K126 VanDerWaalsContact O-N 3.09Å; K126-S129 PolarHBondContact O-OG 2.9Å
127	L	84.7	Confident	74.8	Confident	21 Å²	21	55.8 Å²	55.8	11%	0.11	28%	0.277	C	S	.	.	H	α-helix	trans	-68.9	-35.5	177.7	-60.7	-177.2	0	0	0	114.8	M4 L23 V76 I124 I130 R131	M4-L127 HydrophobicContact SD-CD1 4.43Å; L23-L127 HydrophobicContact CD2-CD1 3.95Å; V76-L127 HydrophobicContact CG2-CD2 3.61Å; I124-L127 HydrophobicContact CD1-CD1 3.86Å; I124-L127 HydrophobicContact CG2-CD1 4.4Å; I124-L127 PolarHBondContact O-N 2.88Å; I124-L127 VanDerWaalsContact O-N 3.11Å; L127-I130 HydrophobicContact CD2-CD1 4.48Å; L127-R131 PolarHBondContact O-N 2.96Å
128	P	74.6	Confident	72.6	Confident	90 Å²	90	57.1 Å²	57.1	58%	0.584	28%	0.283	S	S	*	.	H	α-helix	trans	-64.7	-39	179.3	-24.7	36	0	0	0	113.9	R125 I130 R131 A132	R125-P128 WeakPolarHBondContact O-CD 3.45Å; P128-I130 VanDerWaalsContact C-N 3.35Å; P128-I130 PolarHBondContact O-N 2.85Å; P128-R131 WeakPolarHBondContact O-CB 3.06Å; P128-R131 PolarHBondContact O-N 3.39Å; P128-A132 PolarHBondContact O-N 2.86Å; P128-A132 VanDerWaalsContact O-N 3.14Å
129	S	68.3	Low	70.3	Confident	72 Å²	72	58.2 Å²	58.2	50%	0.503	29%	0.293	S	S	.	.	H	α-helix	trans	-65.5	-35	-180	39.4	0	0	0	0	113	K126 R131 A132 A133	K126-S129 PolarHBondContact O-OG 2.9Å; S129-R131 VanDerWaalsContact C-N 3.31Å; S129-R131 PolarHBondContact O-N 2.81Å; S129-A132 WeakPolarHBondContact O-CB 3.24Å; S129-A132 PolarHBondContact O-N 2.86Å; S129-A132 VanDerWaalsContact O-N 3.14Å; S129-A133 PolarHBondContact O-N 3.42Å; S129-A133 VanDerWaalsContact O-N 3.14Å
130	I	70.6	Confident	67.9	Low	12 Å²	12	64.9 Å²	64.9	6%	0.062	32%	0.324	C	S	.	.	H	α-helix	trans	-61.8	-43	174.2	-62.1	168.5	0	0	0	110	V76 I78 Y84 I86 L127 P128 A132 A133 D134	V76-I130 HydrophobicContact CB-CD1 3.94Å; V76-I130 HydrophobicContact CG1-CD1 4.49Å; V76-I130 HydrophobicContact CG2-CD1 3.64Å; I78-I130 HydrophobicContact CD1-CG2 3.53Å; Y84-I130 HydrophobicContact CD1-CG2 3.94Å; Y84-I130 HydrophobicContact CD2-CG2 3.75Å; Y84-I130 HydrophobicContact CE1-CG2 4.24Å; Y84-I130 HydrophobicContact CE2-CG2 4.08Å; Y84-I130 HydrophobicContact CG-CG1 4.42Å; Y84-I130 HydrophobicContact CG-CG2 3.68Å; I86-I130 HydrophobicContact CG2-CD1 3.93Å; L127-I130 HydrophobicContact CD2-CD1 4.48Å; P128-I130 VanDerWaalsContact C-N 3.35Å; P128-I130 PolarHBondContact O-N 2.85Å; I130-A132 VanDerWaalsContact C-N 3.26Å; I130-A132 PolarHBondContact O-N 3.28Å; I130-A133 PolarHBondContact O-N 3.1Å; I130-D134 PolarHBondContact O-N 2.86Å
131	R	63.7	Low	65.3	Low	146 Å²	146	72.7 Å²	72.7	55%	0.551	36%	0.361	S	S	*	.	H	α-helix	trans	-66.7	-24.8	176.2	-166	-173.3	177.2	-143.5	-5.8	113.3	L127 P128 S129 D134 I135	L127-R131 PolarHBondContact O-N 2.96Å; P128-R131 WeakPolarHBondContact O-CB 3.06Å; P128-R131 PolarHBondContact O-N 3.39Å; S129-R131 VanDerWaalsContact C-N 3.31Å; S129-R131 PolarHBondContact O-N 2.81Å; R131-D134 WeakPolarHBondContact O-CB 3.31Å; R131-I135 WeakPolarHBondContact O-CG1 3.4Å; R131-I135 PolarHBondContact O-N 2.76Å
132	A	54.8	Low	62.9	Low	37 Å²	37	74.7 Å²	74.7	31%	0.306	39%	0.385	S	S	.	.	H	α-helix	trans	-74.3	-39.8	174.4	0	0	0	0	0	111.5	P128 S129 I130 D134 I135	P128-A132 PolarHBondContact O-N 2.86Å; P128-A132 VanDerWaalsContact O-N 3.14Å; S129-A132 WeakPolarHBondContact O-CB 3.24Å; S129-A132 PolarHBondContact O-N 2.86Å; S129-A132 VanDerWaalsContact O-N 3.14Å; I130-A132 VanDerWaalsContact C-N 3.26Å; I130-A132 PolarHBondContact O-N 3.28Å; A132-D134 VanDerWaalsContact C-N 3.35Å; A132-I135 PolarHBondContact O-N 2.83Å
133	A	53.6	Low	60.1	Low	41 Å²	41	75.5 Å²	75.5	34%	0.339	40%	0.398	S	S	.	.	H	α-helix	trans	-63.3	-40.2	171.4	0	0	0	0	0	111.9	S129 I130 I135 R136 S137	S129-A133 PolarHBondContact O-N 3.42Å; S129-A133 VanDerWaalsContact O-N 3.14Å; I130-A133 PolarHBondContact O-N 3.1Å; A133-I135 VanDerWaalsContact C-N 3.32Å; A133-I135 PolarHBondContact O-N 3.39Å; A133-R136 PolarHBondContact O-N 3.06Å; A133-S137 PolarHBondContact O-N 3.44Å
134	D	52	Low	57.1	Low	15 Å²	15	81.2 Å²	81.2	8%	0.08	43%	0.433	C	S	.	.	H	α-helix	trans	-52.2	-44.9	175.6	-91.8	-35.6	0	0	0	113.2	I78 R81 I130 R131 A132 S137	I78-D134 VanDerWaalsContact CD1-OD2 3.29Å; I78-D134 WeakPolarHBondContact CD1-OD2 3.24Å; R81-D134 VanDerWaalsContact CD-OD1 3.29Å; R81-D134 WeakPolarHBondContact CD-OD1 3.37Å; R81-D134 IonicContact CZ-OD1 2.7Å; R81-D134 IonicContact NE-OD1 2.77Å; R81-D134 VanDerWaalsContact NH1-C 3.34Å; R81-D134 VanDerWaalsContact NH1-CG 3.3Å; R81-D134 PolarHBondContact NH1-O 2.88Å; R81-D134 IonicContact NH1-OD1 3.36Å; R81-D134 PolarHBondContact NH1-OD1 3.21Å; I130-D134 PolarHBondContact O-N 2.86Å; R131-D134 WeakPolarHBondContact O-CB 3.31Å; A132-D134 VanDerWaalsContact C-N 3.35Å; D134-S137 PolarHBondContact O-OG 2.92Å
135	I	53.1	Low	54	Low	84 Å²	84	86.8 Å²	86.8	43%	0.431	47%	0.468	S	S	.	.	H	α-helix	trans	-69.7	-43	-172.9	-68.4	165.6	0	0	0	111	R131 A132 A133 S137 D138	R131-I135 WeakPolarHBondContact O-CG1 3.4Å; R131-I135 PolarHBondContact O-N 2.76Å; A132-I135 PolarHBondContact O-N 2.83Å; A133-I135 VanDerWaalsContact C-N 3.32Å; A133-I135 PolarHBondContact O-N 3.39Å; I135-S137 PolarHBondContact O-N 2.9Å; I135-D138 PolarHBondContact O-N 3.08Å
136	R	50	Low	51.2	Low	66 Å²	66	84.3 Å²	84.3	25%	0.249	47%	0.473	C	S	.	.	H	α-helix	trans	-58.4	-37.6	179.8	-63.9	175.9	-177.1	155.8	-2.3	112.1	A133 D138 E139 E140 E330	A133-R136 PolarHBondContact O-N 3.06Å; R136-D138 VanDerWaalsContact C-N 3.3Å; R136-D138 PolarHBondContact O-N 3.41Å; R136-E139 PolarHBondContact O-N 3.14Å; R136-E140 PolarHBondContact O-N 3.22Å; R136-E330 IonicContact CZ-OE2 2.77Å; R136-E330 IonicContact NH1-OE2 3.31Å; R136-E330 PolarHBondContact NH1-OE2 2.81Å; R136-E330 PolarHBondContact NH2-O 3.39Å; R136-E330 IonicContact NH2-OE2 3.91Å
137	S	47.7	Very low	48.6	Very low	35 Å²	35	87.9 Å²	87.9	25%	0.245	50%	0.496	C	S	.	.	H	α-helix	trans	-67.1	-24.2	-178.1	69.3	0	0	0	0	114.9	R81 A133 D134 I135 Q141	R81-S137 PolarHBondContact NH1-OG 3.19Å; A133-S137 PolarHBondContact O-N 3.44Å; D134-S137 PolarHBondContact O-OG 2.92Å; I135-S137 PolarHBondContact O-N 2.9Å; S137-Q141 WeakPolarHBondContact O-CG 3.43Å
138	D	44.7	Very low	45.9	Very low	90 Å²	90	93.7 Å²	93.7	48%	0.481	53%	0.532	S	S	.	.	H	α-helix	trans	-79.6	-34.3	173.5	-68.8	-50.5	0	0	0	111.7	R81 I135 R136 A142	R81-D138 IonicContact CZ-OD1 3.71Å; R81-D138 IonicContact CZ-OD2 3.86Å; R81-D138 IonicContact NH1-OD2 2.89Å; R81-D138 IonicContact NH2-OD1 3.26Å; R81-D138 PolarHBondContact NH2-OD1 3.23Å; R81-D138 IonicContact NH2-OD2 2.77Å; R81-D138 PolarHBondContact NH2-OD2 3.01Å; I135-D138 PolarHBondContact O-N 3.08Å; R136-D138 VanDerWaalsContact C-N 3.3Å; R136-D138 PolarHBondContact O-N 3.41Å; D138-A142 PolarHBondContact O-N 3.06Å
139	E	42.3	Very low	43.6	Very low	128 Å²	128	95.1 Å²	95.1	60%	0.598	54%	0.542	S	S	*	.	H	α-helix	trans	-74.8	-37.1	-178.4	-64.7	178	149.2	0	0	111.8	R136 A142 S143	R136-E139 PolarHBondContact O-N 3.14Å; E139-A142 PolarHBondContact O-N 3.39Å; E139-S143 PolarHBondContact O-OG 3.3Å
140	E	41.2	Very low	41.7	Very low	141 Å²	141	96.6 Å²	96.6	66%	0.659	56%	0.558	S	S	*	*	H	α-helix	trans	-66	-35.4	173.3	-71.8	-176.8	157.8	0	0	112.8	R136 A142	R136-E140 PolarHBondContact O-N 3.22Å; E140-A142 VanDerWaalsContact C-N 3.27Å; E140-A142 PolarHBondContact O-N 3.31Å
141	Q	39.1	Very low	40	Very low	163 Å²	163	99.6 Å²	99.6	76%	0.762	58%	0.577	S	S	*	*	H	α-helix	trans	-73.8	-16.9	177.1	-72.3	-171.5	18.5	0	0	113.7	S137	S137-Q141 WeakPolarHBondContact O-CG 3.43Å
142	A	39	Very low	38.4	Very low	87 Å²	87	96.1 Å²	96.1	72%	0.719	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-8.6	-179.7	0	0	0	0	0	114.4	D138 E139 E140	D138-A142 PolarHBondContact O-N 3.06Å; E139-A142 PolarHBondContact O-N 3.39Å; E140-A142 VanDerWaalsContact C-N 3.27Å; E140-A142 PolarHBondContact O-N 3.31Å
143	S	31.7	Very low	37.3	Very low	86 Å²	86	99.7 Å²	99.7	60%	0.601	60%	0.603	S	S	*	*			trans	-131.9	39.5	-158.5	53.4	0	0	0	0	115.7	E139 T145	E139-S143 PolarHBondContact O-OG 3.3Å; S143-T145 PolarHBondContact O-N 3.45Å
144	T	27.6	Very low	36.3	Very low	120 Å²	120	106.6 Å²	106.6	74%	0.736	62%	0.621	S	S	*	*			trans	-96.2	83.5	-175.4	62.1	0	0	0	0	115.7
145	T	25.2	Very low	35.3	Very low	127 Å²	127	109.6 Å²	109.6	78%	0.779	64%	0.639	S	S	*	*			trans	-144.9	145.6	153.8	43.1	0	0	0	0	111.9	S143	S143-T145 PolarHBondContact O-N 3.45Å
146	T	26.9	Very low	34.1	Very low	128 Å²	128	109 Å²	109	79%	0.785	64%	0.643	S	S	*	*	S	Bend	trans	70.6	113.9	174.3	53.7	0	0	0	0	119.4
147	D	29.1	Very low	33.2	Very low	157 Å²	157	111.4 Å²	111.4	84%	0.84	67%	0.665	S	S	*	*			trans	49.2	135.9	144.3	-55.1	-13.9	0	0	0	122.7
148	T	27.9	Very low	32.5	Very low	142 Å²	142	115.8 Å²	115.8	87%	0.871	69%	0.69	S	S	*	*			trans	-139.6	124.9	-172	-32.3	0	0	0	0	112.9
149	P	28	Very low	32.5	Very low	121 Å²	121	117.2 Å²	117.2	79%	0.786	70%	0.697	S	S	*	*			trans	-105.1	121.6	176.3	15.7	3.2	0	0	0	114.8
150	A	27.8	Very low	33.8	Very low	102 Å²	102	114 Å²	114	84%	0.843	70%	0.698	S	S	*	*			trans	29.2	110.6	155.3	0	0	0	0	0	121.2
151	T	35.2	Very low	35.9	Very low	75 Å²	75	110 Å²	110	46%	0.46	68%	0.681	S	S	.	*			trans	-86.9	136.8	168.2	-28.6	0	0	0	0	112.6	R154 Q301	T151-R154 HydrophobicContact CG2-CG 4.4Å; T151-Q301 HydrophobicContact CG2-CG 4.42Å
152	P	30.2	Very low	38.3	Very low	73 Å²	73	106.8 Å²	106.8	47%	0.474	66%	0.662	S	S	.	*	S	Bend	trans	-78.3	146.1	162	32.4	-32.9	0	0	0	111.4	R154	P152-R154 VanDerWaalsContact C-N 3.34Å; P152-R154 PolarHBondContact O-N 3.3Å
153	A	31	Very low	40.7	Very low	113 Å²	113	103.9 Å²	103.9	93%	0.934	64%	0.638	S	S	*	*	S	Bend	trans	59.8	21.1	169.2	0	0	0	0	0	118.6
154	R	32.5	Very low	43.7	Very low	186 Å²	186	99.8 Å²	99.8	70%	0.702	61%	0.609	S	S	*	*			trans	-68.8	144.8	157	-101.5	-177.3	170.7	169.3	-2.6	110	T151 P152 S156	T151-R154 HydrophobicContact CG2-CG 4.4Å; P152-R154 VanDerWaalsContact C-N 3.34Å; P152-R154 PolarHBondContact O-N 3.3Å; R154-S156 PolarHBondContact O-N 3.13Å
155	V	32.2	Very low	47	Very low	77 Å²	77	94.9 Å²	94.9	47%	0.467	58%	0.577	S	S	.	*			trans	-55.6	126.3	157.9	175.3	0	0	0	0	107.1	T157	V155-T157 PolarHBondContact O-N 3.43Å
156	S	26.7	Very low	50.4	Low	73 Å²	73	88.9 Å²	88.9	51%	0.51	54%	0.541	S	S	.	.			trans	-70.4	102.9	-172.8	-165.8	0	0	0	0	110.5	R154 T158 L159	R154-S156 PolarHBondContact O-N 3.13Å; S156-T158 PolarHBondContact O-N 3.41Å; S156-T158 PolarHBondContact OG-OG1 3.1Å; S156-L159 PolarHBondContact O-N 3.1Å
157	T	31.5	Very low	53.7	Low	115 Å²	115	82.8 Å²	82.8	71%	0.706	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	8.5	-174.7	45.1	0	0	0	0	114.5	V155 L159	V155-T157 PolarHBondContact O-N 3.43Å; T157-L159 VanDerWaalsContact C-N 3.28Å
158	T	33.5	Very low	56.9	Low	128 Å²	128	75.6 Å²	75.6	79%	0.785	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-9.9	162.3	52.3	0	0	0	0	113	S156	S156-T158 PolarHBondContact O-N 3.41Å; S156-T158 PolarHBondContact OG-OG1 3.1Å
159	L	45	Very low	60	Low	120 Å²	120	68.8 Å²	68.8	63%	0.628	42%	0.423	S	S	*	.	S	Bend	trans	-101.4	127	169.3	-74.6	159.2	0	0	0	109.5	S156 T157	S156-L159 PolarHBondContact O-N 3.1Å; T157-L159 VanDerWaalsContact C-N 3.28Å
160	G	69	Low	62.8	Low	59 Å²	59	67.2 Å²	67.2	61%	0.608	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-65.5	166.6	-179.9	0	0	0	0	0	113.9	R162	G160-R162 PolarHBondContact O-N 3.22Å
161	L	84.6	Confident	65.7	Low	57 Å²	57	62.4 Å²	62.4	30%	0.298	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-53.3	135.1	-178.4	-162.4	73.4	0	0	0	111.2	Y165 V185 F191 L253	L161-Y165 HydrophobicContact CD1-CE2 4.06Å; L161-V185 HydrophobicContact CD1-CG1 4.14Å; L161-F191 HydrophobicContact CD2-CD2 4.21Å; L161-F191 HydrophobicContact CD2-CE2 3.61Å; L161-F191 HydrophobicContact CD2-CZ 4.09Å; L161-L253 HydrophobicContact CD1-CD2 4.5Å; L161-L253 HydrophobicContact CD2-CD1 4.39Å; L161-L253 HydrophobicContact CD2-CD2 4.37Å; L161-L253 HydrophobicContact CG-CD1 4.32Å
162	R	90.5	Very high	68	Low	97 Å²	97	63 Å²	63	37%	0.366	37%	0.373	S	S	.	.			trans	-104.3	153.4	-178.9	-73	-71.9	-161	128.8	1.5	110.7	G160 A164 Y165 L253 N276 V279	G160-R162 PolarHBondContact O-N 3.22Å; R162-A164 PolarHBondContact O-N 3.47Å; R162-Y165 HydrophobicContact CB-CE2 4.16Å; R162-Y165 PolarHBondContact N-OH 3.22Å; R162-Y165 WeakPolarHBondContact O-CE2 3.42Å; R162-L253 WeakPolarHBondContact O-CD1 3.4Å; R162-N276 PolarHBondContact NH1-O 2.66Å; R162-V279 HydrophobicContact CB-CG2 4.33Å; R162-V279 HydrophobicContact CG-CG2 3.9Å
163	A	89.8	Confident	70.9	Confident	26 Å²	26	60 Å²	60	22%	0.215	35%	0.353	C	S	.	.	S	Bend	trans	-66	-22.4	-174	0	0	0	0	0	114	L254 R277	A163-L254 PolarHBondContact O-N 3.49Å; A163-L254 VanDerWaalsContact O-N 3.09Å; A163-R277 HydrophobicContact CB-CB 4.4Å; A163-R277 PolarHBondContact N-O 2.92Å
164	A	94.3	Very high	73.9	Confident	0 Å²	0	56 Å²	56	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	145.1	176.7	0	0	0	0	0	113.2	R162 L254 L274 S278 V279	R162-A164 PolarHBondContact O-N 3.47Å; A164-L254 CarbonylContact C-O 3.56Å; A164-L254 VanDerWaalsContact CA-O 3.22Å; A164-L254 WeakPolarHBondContact CA-O 3.27Å; A164-L254 HydrophobicContact CB-CB 3.98Å; A164-L254 HydrophobicContact CB-CD2 4.15Å; A164-L254 HydrophobicContact CB-CG 4.31Å; A164-L274 HydrophobicContact CB-CD1 4.44Å; A164-L274 HydrophobicContact CB-CD2 4.13Å; A164-S278 CarbonylContact O-C 3.56Å; A164-S278 WeakPolarHBondContact O-CA 3.31Å; A164-S278 WeakPolarHBondContact O-CB 3.42Å; A164-V279 PolarHBondContact O-N 3.38Å
165	Y	96.5	Very high	76.8	Confident	16 Å²	16	47.8 Å²	47.8	6%	0.063	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126.9	171.6	-70.8	-95	0	0	0	110.5	L161 R162 V182 L253 L254 I255 V256 V279	L161-Y165 HydrophobicContact CD1-CE2 4.06Å; R162-Y165 HydrophobicContact CB-CE2 4.16Å; R162-Y165 PolarHBondContact N-OH 3.22Å; R162-Y165 WeakPolarHBondContact O-CE2 3.42Å; Y165-V182 HydrophobicContact CD1-CG2 3.58Å; Y165-V182 HydrophobicContact CD2-CG1 3.64Å; Y165-V182 HydrophobicContact CD2-CG2 4.19Å; Y165-V182 HydrophobicContact CE1-CG2 3.94Å; Y165-V182 HydrophobicContact CE2-CG1 4.01Å; Y165-V182 HydrophobicContact CG-CG1 3.93Å; Y165-V182 HydrophobicContact CG-CG2 3.72Å; Y165-L253 HydrophobicContact CD2-CD1 3.95Å; Y165-L253 HydrophobicContact CE2-CD1 3.94Å; Y165-L254 PolarHBondContact N-O 3.03Å; Y165-I255 CarbonylContact O-C 3.51Å; Y165-I255 WeakPolarHBondContact O-CA 3.48Å; Y165-V256 PolarHBondContact O-N 2.9Å; Y165-V279 CarbonylContact C-O 3.44Å; Y165-V279 WeakPolarHBondContact CA-O 3.36Å; Y165-V279 HydrophobicContact CD1-CB 3.96Å; Y165-V279 HydrophobicContact CD1-CG1 4.28Å; Y165-V279 HydrophobicContact CE1-CB 3.97Å; Y165-V279 HydrophobicContact CE1-CG1 4.32Å; Y165-V279 HydrophobicContact CE1-CG2 4.45Å
166	L	96.3	Very high	79.6	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	99.1	-176.5	-52.8	179.2	0	0	0	109.4	L168 V256 W270 F271 L274 V279 Q280 V281	L166-L168 HydrophobicContact CB-CD1 4.38Å; L166-L168 HydrophobicContact CB-CG 4.4Å; L166-L168 PolarHBondContact O-N 3.02Å; L166-V256 HydrophobicContact CD2-CB 3.76Å; L166-V256 HydrophobicContact CD2-CG2 3.77Å; L166-W270 HydrophobicContact CD2-CZ3 4.31Å; L166-F271 HydrophobicContact CD1-CD2 4.11Å; L166-F271 HydrophobicContact CD1-CE2 3.69Å; L166-F271 HydrophobicContact CD1-CZ 4.17Å; L166-L274 HydrophobicContact CD2-CD1 4.11Å; L166-V279 PolarHBondContact N-O 3.15Å; L166-Q280 HydrophobicContact CB-CB 4.36Å; L166-Q280 HydrophobicContact CB-CG 4.49Å; L166-Q280 CarbonylContact O-C 3.53Å; L166-Q280 WeakPolarHBondContact O-CA 3.35Å; L166-V281 PolarHBondContact O-N 2.83Å
167	L	97.1	Very high	82.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	93.9	-175.9	-50.2	-177.4	0	0	0	109	L175 Q179 I255 V256 R257 G258 V281	L167-L175 HydrophobicContact CB-CD2 4.07Å; L167-L175 WeakPolarHBondContact O-CD2 3.34Å; L167-Q179 HydrophobicContact CD1-CB 3.65Å; L167-Q179 HydrophobicContact CD1-CG 4.46Å; L167-I255 HydrophobicContact CD1-CG2 3.7Å; L167-I255 HydrophobicContact CG-CG2 4.08Å; L167-V256 PolarHBondContact N-O 3.24Å; L167-R257 HydrophobicContact CB-CB 4.5Å; L167-R257 WeakPolarHBondContact O-CA 3.37Å; L167-G258 PolarHBondContact O-N 3.12Å; L167-V281 HydrophobicContact CD2-CB 3.8Å; L167-V281 HydrophobicContact CD2-CG2 3.7Å
168	L	96.5	Very high	85.8	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.026	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	111.9	-167.6	-61.6	178.8	0	0	0	110.6	L166 L228 G258 L261 F271 Q280 V281 C283	L166-L168 HydrophobicContact CB-CD1 4.38Å; L166-L168 HydrophobicContact CB-CG 4.4Å; L166-L168 PolarHBondContact O-N 3.02Å; L168-L228 HydrophobicContact CD2-CD1 4.26Å; L168-G258 WeakPolarHBondContact CA-O 3.29Å; L168-L261 HydrophobicContact CD1-CD1 3.95Å; L168-L261 HydrophobicContact CD1-CG 3.96Å; L168-L261 HydrophobicContact CD2-CD1 4.49Å; L168-L261 HydrophobicContact CD2-CG 4.13Å; L168-F271 HydrophobicContact CD1-CE2 4.04Å; L168-Q280 HydrophobicContact CD1-CG 4.34Å; L168-V281 PolarHBondContact N-O 3.29Å; L168-C283 PolarHBondContact O-N 2.87Å
169	G	91.7	Very high	88.7	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	156.4	-162.4	0	0	0	0	0	115	G258 N259 C283	G169-G258 PolarHBondContact N-O 3.46Å; G169-G258 VanDerWaalsContact O-O 3.07Å; G169-N259 WeakPolarHBondContact O-CA 3.47Å; G169-N259 PolarHBondContact O-OD1 3.16Å; G169-C283 CarbonylContact C-O 3.57Å; G169-C283 VanDerWaalsContact CA-C 3.47Å; G169-C283 WeakPolarHBondContact CA-O 3.46Å
170	N	86.5	Confident	91	Very high	88 Å²	88	34.8 Å²	34.8	47%	0.471	20%	0.196	S	C	.	.	S	Bend	trans	-98.3	-13.5	165	61.4	-25.8	0	0	0	112.2	P172 C283 Q284 T285	N170-P172 WeakPolarHBondContact O-CD 3.44Å; N170-C283 PolarHBondContact N-O 2.85Å; N170-Q284 VanDerWaalsContact OD1-CA 3.3Å; N170-Q284 WeakPolarHBondContact OD1-CA 3.36Å; N170-Q284 PolarHBondContact OD1-NE2 3.36Å; N170-T285 PolarHBondContact OD1-N 2.94Å
171	D	88.5	Confident	92.1	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	19%	0.187	C	C	.	.			trans	-83.6	121.1	-173.2	-164.7	-85.7	0	0	0	112.9	L173 L174 L175 C283 T285 L322	D171-L173 VanDerWaalsContact C-N 3.34Å; D171-L173 PolarHBondContact O-N 2.8Å; D171-L173 WeakPolarHBondContact OD1-CA 3.48Å; D171-L173 WeakPolarHBondContact OD1-CB 3.49Å; D171-L173 PolarHBondContact OD1-N 3.44Å; D171-L174 HydrophobicContact CB-CB 4.07Å; D171-L174 HydrophobicContact CB-CD1 3.99Å; D171-L174 HydrophobicContact CB-CG 4.04Å; D171-L174 PolarHBondContact OD1-N 2.95Å; D171-L175 WeakPolarHBondContact O-CB 2.76Å; D171-L175 WeakPolarHBondContact O-CG 3.23Å; D171-L175 PolarHBondContact O-N 3.2Å; D171-L175 VanDerWaalsContact O-N 3.16Å; D171-C283 WeakPolarHBondContact CB-O 3.49Å; D171-C283 PolarHBondContact N-O 2.98Å; D171-T285 WeakPolarHBondContact CB-OG1 3.44Å; D171-T285 WeakPolarHBondContact OD2-CB 3.01Å; D171-T285 PolarHBondContact OD2-OG1 3.5Å; D171-L322 VanDerWaalsContact OD2-CD1 3.24Å; D171-L322 WeakPolarHBondContact OD2-CD1 3.4Å; D171-L322 VanDerWaalsContact OD2-CG 3.24Å; D171-L322 WeakPolarHBondContact OD2-CG 3.39Å
172	P	85.4	Confident	92.5	Very high	86 Å²	86	32.2 Å²	32.2	56%	0.558	18%	0.176	S	C	*	.	H	α-helix	trans	-63.9	-35.2	-178.5	-23.8	35	0	0	0	114.2	N170 Q176	N170-P172 WeakPolarHBondContact O-CD 3.44Å; P172-Q176 WeakPolarHBondContact O-CB 3.46Å; P172-Q176 PolarHBondContact O-N 3.21Å
173	L	90.2	Very high	92.5	Very high	12 Å²	12	30.2 Å²	30.2	6%	0.063	17%	0.169	C	C	.	.	H	α-helix	trans	-73.9	-53.7	-178.4	179	70.3	0	0	0	109.9	D171 L175 Q176 E177 W294 L322 L323 A326	D171-L173 VanDerWaalsContact C-N 3.34Å; D171-L173 PolarHBondContact O-N 2.8Å; D171-L173 WeakPolarHBondContact OD1-CA 3.48Å; D171-L173 WeakPolarHBondContact OD1-CB 3.49Å; D171-L173 PolarHBondContact OD1-N 3.44Å; L173-L175 VanDerWaalsContact C-N 3.26Å; L173-L175 PolarHBondContact O-N 3.01Å; L173-Q176 WeakPolarHBondContact O-CA 3.43Å; L173-Q176 PolarHBondContact O-N 3.34Å; L173-E177 HydrophobicContact CD1-CG 4Å; L173-E177 WeakPolarHBondContact CD1-OE1 3.36Å; L173-E177 HydrophobicContact CG-CG 4.2Å; L173-E177 PolarHBondContact O-N 3.38Å; L173-W294 HydrophobicContact CD2-CH2 3.85Å; L173-W294 HydrophobicContact CD2-CZ2 3.94Å; L173-L322 HydrophobicContact CB-CB 4.3Å; L173-L322 HydrophobicContact CD2-CB 4.02Å; L173-L323 HydrophobicContact CB-CB 4.4Å; L173-L323 HydrophobicContact CD1-CD1 3.96Å; L173-A326 HydrophobicContact CD2-CB 3.77Å
174	L	93.1	Very high	92.6	Very high	29 Å²	29	36 Å²	36	15%	0.152	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-35.1	-176.7	-58.1	177.5	0	0	0	112	D171 Q176 S178 C283 Q284 W294 L322	D171-L174 HydrophobicContact CB-CB 4.07Å; D171-L174 HydrophobicContact CB-CD1 3.99Å; D171-L174 HydrophobicContact CB-CG 4.04Å; D171-L174 PolarHBondContact OD1-N 2.95Å; L174-Q176 VanDerWaalsContact C-N 3.35Å; L174-S178 VanDerWaalsContact O-CB 3.28Å; L174-S178 WeakPolarHBondContact O-CB 3.37Å; L174-S178 PolarHBondContact O-N 2.85Å; L174-S178 VanDerWaalsContact O-N 3.16Å; L174-S178 PolarHBondContact O-OG 3.26Å; L174-C283 HydrophobicContact CB-CB 3.72Å; L174-C283 PolarHBondContact O-SG 3.2Å; L174-C283 VanDerWaalsContact O-SG 3.39Å; L174-Q284 VanDerWaalsContact CD1-O 3.31Å; L174-Q284 WeakPolarHBondContact CD1-O 3.48Å; L174-W294 HydrophobicContact CD2-CZ2 4.35Å; L174-L322 HydrophobicContact CD1-CD1 3.85Å; L174-L322 HydrophobicContact CD2-CD1 4.21Å; L174-L322 HydrophobicContact CG-CD1 3.87Å
175	L	93.3	Very high	92.4	Very high	13 Å²	13	39 Å²	39	7%	0.068	21%	0.209	C	C	.	.	H	α-helix	trans	-66.2	-34.7	172.8	-74.1	174.6	0	0	0	112.7	L167 D171 L173 Q179 R257 C283	L167-L175 HydrophobicContact CB-CD2 4.07Å; L167-L175 WeakPolarHBondContact O-CD2 3.34Å; D171-L175 WeakPolarHBondContact O-CB 2.76Å; D171-L175 WeakPolarHBondContact O-CG 3.23Å; D171-L175 PolarHBondContact O-N 3.2Å; D171-L175 VanDerWaalsContact O-N 3.16Å; L173-L175 VanDerWaalsContact C-N 3.26Å; L173-L175 PolarHBondContact O-N 3.01Å; L175-Q179 VanDerWaalsContact O-CB 3.28Å; L175-Q179 WeakPolarHBondContact O-CB 3.09Å; L175-Q179 PolarHBondContact O-N 3.18Å; L175-R257 HydrophobicContact CD2-CG 4.31Å; L175-C283 HydrophobicContact CB-CB 4.48Å; L175-C283 HydrophobicContact CD2-CB 3.56Å; L175-C283 HydrophobicContact CG-CB 3.73Å
176	Q	91.6	Very high	92.2	Very high	83 Å²	83	38.2 Å²	38.2	39%	0.388	21%	0.206	S	C	.	.	H	α-helix	trans	-75.1	-51.2	177.7	-161.8	-156.7	-51.1	0	0	111.3	P172 L173 L174 S178 Q179 D180	P172-Q176 WeakPolarHBondContact O-CB 3.46Å; P172-Q176 PolarHBondContact O-N 3.21Å; L173-Q176 WeakPolarHBondContact O-CA 3.43Å; L173-Q176 PolarHBondContact O-N 3.34Å; L174-Q176 VanDerWaalsContact C-N 3.35Å; Q176-S178 VanDerWaalsContact C-N 3.27Å; Q176-S178 PolarHBondContact O-N 2.74Å; Q176-Q179 WeakPolarHBondContact O-CB 3.43Å; Q176-Q179 PolarHBondContact O-N 3.36Å; Q176-Q179 VanDerWaalsContact O-N 3.07Å; Q176-D180 WeakPolarHBondContact CG-OD2 3.31Å; Q176-D180 PolarHBondContact NE2-OD2 3.2Å; Q176-D180 WeakPolarHBondContact O-CB 3.49Å; Q176-D180 VanDerWaalsContact O-CG 3.29Å; Q176-D180 PolarHBondContact O-N 3.24Å
177	E	93.3	Very high	91.8	Very high	62 Å²	62	40.8 Å²	40.8	29%	0.29	23%	0.228	S	C	.	.	H	α-helix	trans	-59	-39.5	-178.6	-66.2	-172.6	160.4	0	0	112.1	L173 A181 R298	L173-E177 HydrophobicContact CD1-CG 4Å; L173-E177 WeakPolarHBondContact CD1-OE1 3.36Å; L173-E177 HydrophobicContact CG-CG 4.2Å; L173-E177 PolarHBondContact O-N 3.38Å; E177-A181 WeakPolarHBondContact O-CB 3.27Å; E177-A181 PolarHBondContact O-N 2.7Å; E177-R298 IonicContact OE1-CZ 3.68Å; E177-R298 IonicContact OE1-NH1 3.24Å; E177-R298 PolarHBondContact OE1-NH1 3.48Å; E177-R298 IonicContact OE1-NH2 3.73Å; E177-R298 PolarHBondContact OE1-NH2 2.92Å; E177-R298 IonicContact OE2-CZ 2.62Å; E177-R298 IonicContact OE2-NH1 3.54Å; E177-R298 PolarHBondContact OE2-NH1 2.95Å
178	S	94.6	Very high	91.3	Very high	26 Å²	26	44.8 Å²	44.8	18%	0.182	26%	0.261	C	S	.	.	H	α-helix	trans	-69.4	-35.3	177.4	-52.8	0	0	0	0	112.7	L174 Q176 V182	L174-S178 VanDerWaalsContact O-CB 3.28Å; L174-S178 WeakPolarHBondContact O-CB 3.37Å; L174-S178 PolarHBondContact O-N 2.85Å; L174-S178 VanDerWaalsContact O-N 3.16Å; L174-S178 PolarHBondContact O-OG 3.26Å; Q176-S178 VanDerWaalsContact C-N 3.27Å; Q176-S178 PolarHBondContact O-N 2.74Å; S178-V182 VanDerWaalsContact O-CG2 3.27Å; S178-V182 WeakPolarHBondContact O-CG2 3.43Å; S178-V182 PolarHBondContact O-N 3.23Å
179	Q	95.8	Very high	90.9	Very high	17 Å²	17	49.6 Å²	49.6	8%	0.079	28%	0.283	C	S	.	.	H	α-helix	trans	-68.6	-46.2	175.8	177.4	-159.7	-88	0	0	111.2	L167 L175 Q176 V182 R183 L225	L167-Q179 HydrophobicContact CD1-CB 3.65Å; L167-Q179 HydrophobicContact CD1-CG 4.46Å; L175-Q179 VanDerWaalsContact O-CB 3.28Å; L175-Q179 WeakPolarHBondContact O-CB 3.09Å; L175-Q179 PolarHBondContact O-N 3.18Å; Q176-Q179 WeakPolarHBondContact O-CB 3.43Å; Q176-Q179 PolarHBondContact O-N 3.36Å; Q176-Q179 VanDerWaalsContact O-N 3.07Å; Q179-V182 PolarHBondContact O-N 2.81Å; Q179-R183 PolarHBondContact O-N 2.91Å; Q179-L225 HydrophobicContact CG-CD2 4.41Å
180	D	92.3	Very high	90.7	Very high	52 Å²	52	51.1 Å²	51.1	28%	0.278	30%	0.299	S	S	.	.	H	α-helix	trans	-73.9	-35.4	-174.4	-62.8	-9.3	0	0	0	110.4	Q176 R183 Q184	Q176-D180 WeakPolarHBondContact CG-OD2 3.31Å; Q176-D180 PolarHBondContact NE2-OD2 3.2Å; Q176-D180 WeakPolarHBondContact O-CB 3.49Å; Q176-D180 VanDerWaalsContact O-CG 3.29Å; Q176-D180 PolarHBondContact O-N 3.24Å; D180-R183 PolarHBondContact O-N 3.46Å; D180-Q184 WeakPolarHBondContact O-CB 3.28Å; D180-Q184 PolarHBondContact O-N 2.62Å
181	A	91.6	Very high	90.8	Very high	51 Å²	51	47.3 Å²	47.3	42%	0.421	28%	0.278	S	S	.	.	H	α-helix	trans	-62.5	-41.1	170.3	0	0	0	0	0	113.2	E177 V185	E177-A181 WeakPolarHBondContact O-CB 3.27Å; E177-A181 PolarHBondContact O-N 2.7Å; A181-V185 WeakPolarHBondContact O-CG2 3.19Å; A181-V185 PolarHBondContact O-N 2.97Å
182	V	93.3	Very high	90.5	Very high	11 Å²	11	54.9 Å²	54.9	7%	0.067	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-43.3	174.7	170.5	0	0	0	0	110.7	Y165 S178 Q179 V185 A186 L253 I255	Y165-V182 HydrophobicContact CD1-CG2 3.58Å; Y165-V182 HydrophobicContact CD2-CG1 3.64Å; Y165-V182 HydrophobicContact CD2-CG2 4.19Å; Y165-V182 HydrophobicContact CE1-CG2 3.94Å; Y165-V182 HydrophobicContact CE2-CG1 4.01Å; Y165-V182 HydrophobicContact CG-CG1 3.93Å; Y165-V182 HydrophobicContact CG-CG2 3.72Å; S178-V182 VanDerWaalsContact O-CG2 3.27Å; S178-V182 WeakPolarHBondContact O-CG2 3.43Å; S178-V182 PolarHBondContact O-N 3.23Å; Q179-V182 PolarHBondContact O-N 2.81Å; V182-V185 PolarHBondContact O-N 2.9Å; V182-A186 WeakPolarHBondContact O-CB 3.32Å; V182-A186 PolarHBondContact O-N 3.44Å; V182-L253 HydrophobicContact CG1-CD2 4.04Å; V182-I255 HydrophobicContact CB-CD1 4.31Å; V182-I255 HydrophobicContact CG1-CD1 3.67Å; V182-I255 HydrophobicContact CG1-CG1 4.08Å
183	R	91.4	Very high	90.5	Very high	55 Å²	55	55 Å²	55	21%	0.208	31%	0.307	C	S	.	.	H	α-helix	trans	-62.5	-41.6	176.3	-77.7	-178.5	169.3	-176.2	-4.4	112.8	Q179 D180 V185 A186 A187 T196 I255	Q179-R183 PolarHBondContact O-N 2.91Å; D180-R183 PolarHBondContact O-N 3.46Å; R183-V185 PolarHBondContact O-N 3.27Å; R183-A186 PolarHBondContact O-N 3.29Å; R183-A187 WeakPolarHBondContact O-CB 3.44Å; R183-A187 PolarHBondContact O-N 3.14Å; R183-T196 PolarHBondContact NH2-OG1 2.89Å; R183-I255 HydrophobicContact CG-CD1 4.25Å
184	Q	90.8	Very high	90.5	Very high	146 Å²	146	58.3 Å²	58.3	68%	0.682	32%	0.322	S	S	*	.	H	α-helix	trans	-59.8	-44.6	178.1	-171.6	-178.6	48.8	0	0	111.9	D180 A188	D180-Q184 WeakPolarHBondContact O-CB 3.28Å; D180-Q184 PolarHBondContact O-N 2.62Å; Q184-A188 PolarHBondContact O-N 3.12Å
185	V	91.4	Very high	90.5	Very high	64 Å²	64	59.2 Å²	59.2	39%	0.388	33%	0.325	S	S	.	.	H	α-helix	trans	-70.9	-34.1	177	-178.3	0	0	0	0	111.5	L161 A181 V182 R183 Q189	L161-V185 HydrophobicContact CD1-CG1 4.14Å; A181-V185 WeakPolarHBondContact O-CG2 3.19Å; A181-V185 PolarHBondContact O-N 2.97Å; V182-V185 PolarHBondContact O-N 2.9Å; R183-V185 PolarHBondContact O-N 3.27Å; V185-Q189 WeakPolarHBondContact O-CG 3.29Å; V185-Q189 PolarHBondContact O-N 3.49Å
186	A	90.9	Very high	90.5	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-66.9	-46.4	176	0	0	0	0	0	112.3	V182 R183 A188 Q189 G190 F191 L253	V182-A186 WeakPolarHBondContact O-CB 3.32Å; V182-A186 PolarHBondContact O-N 3.44Å; R183-A186 PolarHBondContact O-N 3.29Å; A186-A188 VanDerWaalsContact C-N 3.28Å; A186-A188 PolarHBondContact O-N 3.23Å; A186-Q189 CarbonylContact O-C 3.54Å; A186-Q189 WeakPolarHBondContact O-CA 3.31Å; A186-Q189 WeakPolarHBondContact O-CB 3.25Å; A186-Q189 PolarHBondContact O-N 3.24Å; A186-G190 PolarHBondContact O-N 3.31Å; A186-F191 HydrophobicContact CB-CB 3.9Å; A186-F191 HydrophobicContact CB-CD2 4.24Å; A186-F191 HydrophobicContact CB-CG 4.14Å; A186-F191 WeakPolarHBondContact O-CB 3.3Å; A186-F191 VanDerWaalsContact O-CD2 3.32Å; A186-F191 WeakPolarHBondContact O-CD2 3.39Å; A186-F191 PolarHBondContact O-N 3.17Å; A186-F191 VanDerWaalsContact O-N 3.09Å; A186-L253 HydrophobicContact CB-CD2 3.43Å; A186-L253 VanDerWaalsContact CB-CD2 3.43Å
187	A	88.1	Confident	90.5	Very high	56 Å²	56	60.6 Å²	60.6	46%	0.463	34%	0.335	S	S	.	.	H	α-helix	trans	-58	-42.3	176.3	0	0	0	0	0	111.3	R183 Q189 G190	R183-A187 WeakPolarHBondContact O-CB 3.44Å; R183-A187 PolarHBondContact O-N 3.14Å; A187-Q189 PolarHBondContact O-N 3.43Å; A187-Q189 VanDerWaalsContact O-N 3.12Å; A187-G190 PolarHBondContact O-N 2.84Å; A187-G190 VanDerWaalsContact O-N 3.08Å
188	A	88.1	Confident	90.5	Very high	84 Å²	84	61.5 Å²	61.5	69%	0.694	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-9.8	173.3	0	0	0	0	0	114.8	Q184 A186	Q184-A188 PolarHBondContact O-N 3.12Å; A186-A188 VanDerWaalsContact C-N 3.28Å; A186-A188 PolarHBondContact O-N 3.23Å
189	Q	87.9	Confident	90.4	Very high	106 Å²	106	60.6 Å²	60.6	50%	0.495	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	13.4	175.4	-66.9	-69.4	-29.2	0	0	112.9	V185 A186 A187 F191 R221	V185-Q189 WeakPolarHBondContact O-CG 3.29Å; V185-Q189 PolarHBondContact O-N 3.49Å; A186-Q189 CarbonylContact O-C 3.54Å; A186-Q189 WeakPolarHBondContact O-CA 3.31Å; A186-Q189 WeakPolarHBondContact O-CB 3.25Å; A186-Q189 PolarHBondContact O-N 3.24Å; A187-Q189 PolarHBondContact O-N 3.43Å; A187-Q189 VanDerWaalsContact O-N 3.12Å; Q189-F191 HydrophobicContact CB-CD2 4.03Å; Q189-F191 HydrophobicContact CB-CE2 4.15Å; Q189-R221 WeakPolarHBondContact O-CD 3.49Å; Q189-R221 PolarHBondContact O-NH1 2.97Å
190	G	86.5	Confident	89.8	Confident	32 Å²	32	62.9 Å²	62.9	33%	0.33	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	16	176.4	0	0	0	0	0	115.3	A186 A187 E192 R221	A186-G190 PolarHBondContact O-N 3.31Å; A187-G190 PolarHBondContact O-N 2.84Å; A187-G190 VanDerWaalsContact O-N 3.08Å; G190-E192 PolarHBondContact O-N 3.4Å; G190-E192 VanDerWaalsContact O-N 3.13Å; G190-R221 WeakPolarHBondContact O-CB 3.43Å
191	F	88.9	Confident	88.9	Confident	7 Å²	7	65.8 Å²	65.8	3%	0.031	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	82.1	171.9	-67.1	-102.1	0	0	0	110.4	L161 A186 Q189 H194 R221 Q222 L253	L161-F191 HydrophobicContact CD2-CD2 4.21Å; L161-F191 HydrophobicContact CD2-CE2 3.61Å; L161-F191 HydrophobicContact CD2-CZ 4.09Å; A186-F191 HydrophobicContact CB-CB 3.9Å; A186-F191 HydrophobicContact CB-CD2 4.24Å; A186-F191 HydrophobicContact CB-CG 4.14Å; A186-F191 WeakPolarHBondContact O-CB 3.3Å; A186-F191 VanDerWaalsContact O-CD2 3.32Å; A186-F191 WeakPolarHBondContact O-CD2 3.39Å; A186-F191 PolarHBondContact O-N 3.17Å; A186-F191 VanDerWaalsContact O-N 3.09Å; Q189-F191 HydrophobicContact CB-CD2 4.03Å; Q189-F191 HydrophobicContact CB-CE2 4.15Å; F191-H194 PolarHBondContact O-CE1 3.28Å; F191-R221 CarbonylContact C-O 3.59Å; F191-R221 WeakPolarHBondContact CA-O 3.37Å; F191-R221 HydrophobicContact CB-CB 4.31Å; F191-R221 HydrophobicContact CD1-CB 3.57Å; F191-R221 HydrophobicContact CD2-CB 4.15Å; F191-R221 HydrophobicContact CE1-CB 3.82Å; F191-R221 HydrophobicContact CE2-CB 4.37Å; F191-R221 HydrophobicContact CG-CB 3.75Å; F191-R221 HydrophobicContact CZ-CB 4.22Å; F191-Q222 WeakPolarHBondContact CD1-O 3.43Å; F191-L253 HydrophobicContact CD1-CB 3.83Å; F191-L253 HydrophobicContact CE1-CB 3.61Å; F191-L253 HydrophobicContact CZ-CB 4.31Å
192	E	81.6	Confident	88.3	Confident	161 Å²	161	70.2 Å²	70.2	75%	0.752	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	-30.4	-176.3	-63.5	-178.2	-180	0	0	113.2	G190 R221	G190-E192 PolarHBondContact O-N 3.4Å; G190-E192 VanDerWaalsContact O-N 3.13Å; E192-R221 PolarHBondContact N-O 3.23Å; E192-R221 VanDerWaalsContact N-O 3.17Å
193	E	86.6	Confident	87.9	Confident	87 Å²	87	70.7 Å²	70.7	41%	0.407	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	138.2	-178.5	-73.3	-175.1	-137.4	0	0	111.9	H195 S220 R221 Q222 T223	E193-H195 IonicContact OE2-NE2 2.89Å; E193-S220 WeakPolarHBondContact OE1-CB 3.36Å; E193-S220 PolarHBondContact OE1-OG 3.05Å; E193-R221 PolarHBondContact N-O 3.36Å; E193-Q222 HydrophobicContact CB-CB 4.06Å; E193-Q222 CarbonylContact O-C 3.6Å; E193-Q222 WeakPolarHBondContact O-CA 3.23Å; E193-T223 PolarHBondContact O-N 3.02Å
194	H	90.3	Very high	87.8	Confident	82 Å²	82	72.4 Å²	72.4	38%	0.38	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	111.8	-172.6	-70.9	-2.7	0	0	0	110.7	F191	F191-H194 PolarHBondContact O-CE1 3.28Å
195	H	91.4	Very high	87.8	Confident	48 Å²	48	66.6 Å²	66.6	22%	0.222	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	152.7	177.6	-53.3	-85.9	0	0	0	110.2	E193 F197 L211 T223 L224 L225	E193-H195 IonicContact OE2-NE2 2.89Å; H195-F197 HydrophobicContact CB-CE2 3.97Å; H195-L211 HydrophobicContact CB-CD2 3.83Å; H195-L211 VanDerWaalsContact CG-CD2 3.49Å; H195-T223 PolarHBondContact N-O 3.02Å; H195-L224 HydrophobicContact CB-CD1 4.24Å; H195-L225 PolarHBondContact O-N 2.83Å
196	T	93.7	Very high	87.6	Confident	73 Å²	73	69 Å²	69	45%	0.448	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	123.1	177.9	-60.6	0	0	0	0	109.7	R183 L225 L227	R183-T196 PolarHBondContact NH2-OG1 2.89Å; T196-L225 CarbonylContact C-O 3.52Å; T196-L225 VanDerWaalsContact CA-O 3.27Å; T196-L225 WeakPolarHBondContact CA-O 3.41Å; T196-L225 HydrophobicContact CG2-CB 4.25Å; T196-L225 HydrophobicContact CG2-CD2 3.83Å; T196-L225 HydrophobicContact CG2-CG 4.02Å; T196-L227 HydrophobicContact CG2-CD1 4.29Å; T196-L227 HydrophobicContact CG2-CG 4.32Å
197	F	92.9	Very high	87.4	Confident	52 Å²	52	71 Å²	71	23%	0.228	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	131.4	179	-64.2	-95.1	0	0	0	109.8	H195 I208 L211 L224 L225 L226 L227	H195-F197 HydrophobicContact CB-CE2 3.97Å; F197-I208 HydrophobicContact CB-CD1 4.03Å; F197-I208 HydrophobicContact CD1-CD1 3.97Å; F197-I208 HydrophobicContact CD1-CG1 3.66Å; F197-I208 HydrophobicContact CD2-CD1 4.45Å; F197-I208 HydrophobicContact CD2-CG1 4.08Å; F197-I208 HydrophobicContact CE1-CG1 3.74Å; F197-I208 HydrophobicContact CE2-CG1 4.16Å; F197-I208 HydrophobicContact CG-CD1 3.91Å; F197-I208 HydrophobicContact CG-CG1 3.83Å; F197-I208 HydrophobicContact CZ-CG1 3.99Å; F197-L211 HydrophobicContact CE2-CD2 3.87Å; F197-L211 HydrophobicContact CZ-CD2 4.24Å; F197-L224 HydrophobicContact CD2-CD1 3.52Å; F197-L224 HydrophobicContact CE2-CD1 3.61Å; F197-L225 PolarHBondContact N-O 3.14Å; F197-L226 HydrophobicContact CB-CD2 4.05Å; F197-L226 HydrophobicContact CD2-CD2 4.39Å; F197-L226 WeakPolarHBondContact O-CA 3.43Å; F197-L227 PolarHBondContact O-N 2.99Å
198	S	92.1	Very high	87.5	Confident	82 Å²	82	68.4 Å²	68.4	57%	0.573	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	130.5	164.7	-59.4	0	0	0	0	108.8	T203	S198-T203 PolarHBondContact O-OG1 3.22Å
199	I	92	Very high	87.6	Confident	6 Å²	6	65.7 Å²	65.7	3%	0.031	36%	0.359	C	S	.	.			trans	-94.7	120.5	177.9	-56.2	-54.3	0	0	0	109.2	T203 W205 I208 L226 L227 P229 I237	I199-T203 HydrophobicContact CD1-CG2 4.03Å; I199-W205 HydrophobicContact CD1-CH2 3.69Å; I199-W205 HydrophobicContact CD1-CZ2 3.94Å; I199-W205 HydrophobicContact CD1-CZ3 4.2Å; I199-W205 HydrophobicContact CG1-CH2 4.33Å; I199-W205 HydrophobicContact CG2-CH2 4.11Å; I199-W205 HydrophobicContact CG2-CZ2 3.69Å; I199-I208 HydrophobicContact CD1-CD1 4.06Å; I199-L226 HydrophobicContact CD1-CD2 4.22Å; I199-L226 HydrophobicContact CG1-CB 4.21Å; I199-L227 WeakPolarHBondContact CB-O 3.5Å; I199-L227 PolarHBondContact N-O 2.96Å; I199-P229 WeakPolarHBondContact O-CD 3.18Å; I199-P229 WeakPolarHBondContact O-CG 3.44Å; I199-I237 HydrophobicContact CG2-CD1 3.92Å; I199-I237 HydrophobicContact CG2-CG1 4.05Å; I199-I237 HydrophobicContact CG2-CG2 3.84Å
200	D	83.7	Confident	87.5	Confident	66 Å²	66	64.1 Å²	64.1	35%	0.353	36%	0.36	S	S	.	.			trans	-143.1	179.7	177.3	76.3	-3	0	0	0	109.8	N202 T203	D200-N202 PolarHBondContact O-N 3.03Å; D200-N202 VanDerWaalsContact OD1-C 3.32Å; D200-N202 WeakPolarHBondContact OD1-CA 3.33Å; D200-N202 PolarHBondContact OD1-N 3.01Å; D200-T203 PolarHBondContact N-OG1 3.15Å; D200-T203 PolarHBondContact O-OG1 3.48Å; D200-T203 PolarHBondContact OD1-N 3.3Å; D200-T203 PolarHBondContact OD1-OG1 2.83Å
201	P	72.9	Confident	87.5	Confident	113 Å²	113	64.2 Å²	64.2	73%	0.734	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-11.4	176.8	-23.5	35.9	0	0	0	115.7
202	N	79.7	Confident	87.3	Confident	143 Å²	143	64 Å²	64	77%	0.765	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	2.9	-173.7	-59	-47.9	0	0	0	113.1	D200 D204	D200-N202 PolarHBondContact O-N 3.03Å; D200-N202 VanDerWaalsContact OD1-C 3.32Å; D200-N202 WeakPolarHBondContact OD1-CA 3.33Å; D200-N202 PolarHBondContact OD1-N 3.01Å; N202-D204 PolarHBondContact O-N 3.1Å
203	T	85.9	Confident	87.1	Confident	22 Å²	22	62.4 Å²	62.4	14%	0.135	35%	0.345	C	S	.	.			trans	-63.7	130.2	-171.7	-63.8	0	0	0	0	111.8	S198 I199 D200 W205 I208	S198-T203 PolarHBondContact O-OG1 3.22Å; I199-T203 HydrophobicContact CD1-CG2 4.03Å; D200-T203 PolarHBondContact N-OG1 3.15Å; D200-T203 PolarHBondContact O-OG1 3.48Å; D200-T203 PolarHBondContact OD1-N 3.3Å; D200-T203 PolarHBondContact OD1-OG1 2.83Å; T203-W205 VanDerWaalsContact C-N 3.34Å; T203-W205 HydrophobicContact CG2-CD2 4.45Å; T203-W205 PolarHBondContact O-N 3.21Å; T203-I208 HydrophobicContact CG2-CD1 3.79Å
204	D	88.5	Confident	86.2	Confident	90 Å²	90	60.9 Å²	60.9	48%	0.481	35%	0.347	S	S	.	.			trans	-76.6	85.8	173.6	-175.7	15.6	0	0	0	111.3	N202 N206 A207	N202-D204 PolarHBondContact O-N 3.1Å; D204-N206 PolarHBondContact O-N 2.83Å; D204-N206 VanDerWaalsContact OD1-CB 3.27Å; D204-N206 WeakPolarHBondContact OD1-CB 3.39Å; D204-N206 PolarHBondContact OD1-N 3.43Å; D204-N206 PolarHBondContact OD1-ND2 3.17Å; D204-A207 HydrophobicContact CB-CB 4.45Å; D204-A207 PolarHBondContact O-N 2.94Å
205	W	90.3	Very high	84.5	Confident	25 Å²	25	64.3 Å²	64.3	10%	0.095	37%	0.366	C	S	.	.	H	α-helix	trans	-60.6	-22.7	174.4	-67.5	96.3	0	0	0	113.3	I199 T203 A207 I208 F209 I237 Q240 L241	I199-W205 HydrophobicContact CD1-CH2 3.69Å; I199-W205 HydrophobicContact CD1-CZ2 3.94Å; I199-W205 HydrophobicContact CD1-CZ3 4.2Å; I199-W205 HydrophobicContact CG1-CH2 4.33Å; I199-W205 HydrophobicContact CG2-CH2 4.11Å; I199-W205 HydrophobicContact CG2-CZ2 3.69Å; T203-W205 VanDerWaalsContact C-N 3.34Å; T203-W205 HydrophobicContact CG2-CD2 4.45Å; T203-W205 PolarHBondContact O-N 3.21Å; W205-A207 VanDerWaalsContact C-N 3.35Å; W205-I208 HydrophobicContact CD2-CD1 4.41Å; W205-I208 HydrophobicContact CE3-CD1 3.96Å; W205-I208 HydrophobicContact CZ3-CD1 4.3Å; W205-I208 PolarHBondContact O-N 3.17Å; W205-F209 HydrophobicContact CB-CD2 4.33Å; W205-F209 HydrophobicContact CB-CE2 3.85Å; W205-F209 HydrophobicContact CB-CZ 4.2Å; W205-F209 HydrophobicContact CE3-CE1 4.25Å; W205-F209 HydrophobicContact CE3-CZ 4.11Å; W205-F209 WeakPolarHBondContact O-CD2 3.47Å; W205-F209 VanDerWaalsContact O-CG 3.24Å; W205-F209 WeakPolarHBondContact O-CG 3.37Å; W205-F209 PolarHBondContact O-N 3.15Å; W205-I237 HydrophobicContact CH2-CG2 4.47Å; W205-I237 HydrophobicContact CZ2-CG2 4.29Å; W205-Q240 HydrophobicContact CD2-CB 3.52Å; W205-Q240 HydrophobicContact CD2-CG 3.84Å; W205-Q240 HydrophobicContact CE3-CB 3.64Å; W205-Q240 HydrophobicContact CE3-CG 4.44Å; W205-Q240 HydrophobicContact CG-CB 4.16Å; W205-Q240 HydrophobicContact CG-CG 3.98Å; W205-Q240 HydrophobicContact CH2-CB 3.71Å; W205-Q240 HydrophobicContact CZ2-CB 3.6Å; W205-Q240 HydrophobicContact CZ2-CG 4.18Å; W205-Q240 HydrophobicContact CZ3-CB 3.73Å; W205-L241 HydrophobicContact CH2-CD2 4.01Å; W205-L241 HydrophobicContact CH2-CG 4.18Å; W205-L241 HydrophobicContact CZ3-CD2 4.33Å
206	N	87.8	Confident	82.3	Confident	114 Å²	114	65.1 Å²	65.1	61%	0.61	38%	0.376	S	S	*	.	H	α-helix	trans	-67.6	-37.7	176.9	-51.3	-80.6	0	0	0	111.2	D204 S210	D204-N206 PolarHBondContact O-N 2.83Å; D204-N206 VanDerWaalsContact OD1-CB 3.27Å; D204-N206 WeakPolarHBondContact OD1-CB 3.39Å; D204-N206 PolarHBondContact OD1-N 3.43Å; D204-N206 PolarHBondContact OD1-ND2 3.17Å; N206-S210 WeakPolarHBondContact O-CB 3.42Å; N206-S210 PolarHBondContact O-N 3.5Å; N206-S210 PolarHBondContact O-OG 2.95Å
207	A	86.6	Confident	79.8	Confident	43 Å²	43	69.6 Å²	69.6	36%	0.355	40%	0.397	S	S	.	.	H	α-helix	trans	-63	-42.7	173.4	0	0	0	0	0	111.5	D204 W205 L211	D204-A207 HydrophobicContact CB-CB 4.45Å; D204-A207 PolarHBondContact O-N 2.94Å; W205-A207 VanDerWaalsContact C-N 3.35Å; A207-L211 WeakPolarHBondContact O-CB 3.31Å; A207-L211 PolarHBondContact O-N 3.26Å
208	I	90.5	Very high	77.6	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-64.4	-48	177.7	-57.8	176.4	0	0	0	110.9	F197 I199 T203 W205 L211 C212 L224 L244	F197-I208 HydrophobicContact CB-CD1 4.03Å; F197-I208 HydrophobicContact CD1-CD1 3.97Å; F197-I208 HydrophobicContact CD1-CG1 3.66Å; F197-I208 HydrophobicContact CD2-CD1 4.45Å; F197-I208 HydrophobicContact CD2-CG1 4.08Å; F197-I208 HydrophobicContact CE1-CG1 3.74Å; F197-I208 HydrophobicContact CE2-CG1 4.16Å; F197-I208 HydrophobicContact CG-CD1 3.91Å; F197-I208 HydrophobicContact CG-CG1 3.83Å; F197-I208 HydrophobicContact CZ-CG1 3.99Å; I199-I208 HydrophobicContact CD1-CD1 4.06Å; T203-I208 HydrophobicContact CG2-CD1 3.79Å; W205-I208 HydrophobicContact CD2-CD1 4.41Å; W205-I208 HydrophobicContact CE3-CD1 3.96Å; W205-I208 HydrophobicContact CZ3-CD1 4.3Å; W205-I208 PolarHBondContact O-N 3.17Å; I208-L211 PolarHBondContact O-N 3.45Å; I208-C212 PolarHBondContact O-N 3.47Å; I208-C212 PolarHBondContact O-SG 3.37Å; I208-L224 HydrophobicContact CG2-CD2 4.18Å; I208-L244 HydrophobicContact CG2-CD1 4.19Å
209	F	90.8	Very high	75.7	Confident	27 Å²	27	75.1 Å²	75.1	12%	0.118	42%	0.421	C	S	.	.	H	α-helix	trans	-67.8	-36.9	178.8	-60.5	-35.2	0	0	0	112.7	W205 L211 C212 Q213 Q240 T243 L244 L247	W205-F209 HydrophobicContact CB-CD2 4.33Å; W205-F209 HydrophobicContact CB-CE2 3.85Å; W205-F209 HydrophobicContact CB-CZ 4.2Å; W205-F209 HydrophobicContact CE3-CE1 4.25Å; W205-F209 HydrophobicContact CE3-CZ 4.11Å; W205-F209 WeakPolarHBondContact O-CD2 3.47Å; W205-F209 VanDerWaalsContact O-CG 3.24Å; W205-F209 WeakPolarHBondContact O-CG 3.37Å; W205-F209 PolarHBondContact O-N 3.15Å; F209-L211 VanDerWaalsContact C-N 3.34Å; F209-L211 PolarHBondContact O-N 3.3Å; F209-C212 PolarHBondContact O-N 3.31Å; F209-Q213 WeakPolarHBondContact O-CB 3.09Å; F209-Q213 VanDerWaalsContact O-CG 3.31Å; F209-Q213 WeakPolarHBondContact O-CG 3.42Å; F209-Q213 PolarHBondContact O-N 2.86Å; F209-Q240 HydrophobicContact CZ-CB 4.45Å; F209-T243 HydrophobicContact CD1-CG2 4.44Å; F209-T243 HydrophobicContact CE1-CG2 3.88Å; F209-T243 HydrophobicContact CE2-CG2 4.07Å; F209-T243 HydrophobicContact CZ-CG2 3.68Å; F209-L244 HydrophobicContact CD1-CD1 4.46Å; F209-L244 HydrophobicContact CE1-CB 4.2Å; F209-L247 HydrophobicContact CB-CD1 4.13Å; F209-L247 HydrophobicContact CD1-CD1 3.77Å; F209-L247 HydrophobicContact CG-CD1 4.25Å
210	S	85.8	Confident	74.6	Confident	74 Å²	74	76.9 Å²	76.9	52%	0.517	43%	0.434	S	S	.	.	H	α-helix	trans	-63.2	-41	175.8	-60.3	0	0	0	0	111.6	N206 C212 Q213 A214	N206-S210 WeakPolarHBondContact O-CB 3.42Å; N206-S210 PolarHBondContact O-N 3.5Å; N206-S210 PolarHBondContact O-OG 2.95Å; S210-C212 VanDerWaalsContact C-N 3.34Å; S210-C212 PolarHBondContact O-N 3.11Å; S210-Q213 PolarHBondContact O-N 3Å; S210-A214 WeakPolarHBondContact O-CB 3.43Å; S210-A214 PolarHBondContact O-N 2.99Å; S210-A214 VanDerWaalsContact O-N 3.08Å
211	L	85.6	Confident	74.7	Confident	33 Å²	33	77.7 Å²	77.7	17%	0.173	43%	0.432	C	S	.	.	H	α-helix	trans	-61	-40.9	174.4	176.5	67.2	0	0	0	112.2	H195 F197 A207 I208 F209 A214 Q222 L224	H195-L211 HydrophobicContact CB-CD2 3.83Å; H195-L211 VanDerWaalsContact CG-CD2 3.49Å; F197-L211 HydrophobicContact CE2-CD2 3.87Å; F197-L211 HydrophobicContact CZ-CD2 4.24Å; A207-L211 WeakPolarHBondContact O-CB 3.31Å; A207-L211 PolarHBondContact O-N 3.26Å; I208-L211 PolarHBondContact O-N 3.45Å; F209-L211 VanDerWaalsContact C-N 3.34Å; F209-L211 PolarHBondContact O-N 3.3Å; L211-A214 PolarHBondContact O-N 3.11Å; L211-Q222 PolarHBondContact O-NE2 3.13Å; L211-Q222 VanDerWaalsContact O-NE2 3.17Å; L211-L224 HydrophobicContact CD2-CD1 4.21Å
212	C	84.6	Confident	75.5	Confident	4 Å²	4	73.1 Å²	73.1	3%	0.027	40%	0.401	C	S	.	.	H	α-helix	trans	-76.1	-25.2	178.8	-57.1	0	0	0	0	113.4	I208 F209 S210 L244 L247 L252	I208-C212 PolarHBondContact O-N 3.47Å; I208-C212 PolarHBondContact O-SG 3.37Å; F209-C212 PolarHBondContact O-N 3.31Å; S210-C212 VanDerWaalsContact C-N 3.34Å; S210-C212 PolarHBondContact O-N 3.11Å; C212-L244 HydrophobicContact CB-CD1 4.41Å; C212-L244 WeakPolarHBondContact SG-CD1 3.32Å; C212-L247 HydrophobicContact CB-CB 3.89Å; C212-L247 HydrophobicContact CB-CD1 4.05Å; C212-L252 HydrophobicContact CB-CD1 3.9Å
213	Q	78.1	Confident	76.1	Confident	126 Å²	126	66.3 Å²	66.3	59%	0.589	36%	0.364	S	S	*	.	H	α-helix	trans	-85.4	-11.9	175.6	-71.2	175.4	25.2	0	0	113	F209 S210 M215 L247	F209-Q213 WeakPolarHBondContact O-CB 3.09Å; F209-Q213 VanDerWaalsContact O-CG 3.31Å; F209-Q213 WeakPolarHBondContact O-CG 3.42Å; F209-Q213 PolarHBondContact O-N 2.86Å; S210-Q213 PolarHBondContact O-N 3Å; Q213-M215 PolarHBondContact O-N 3.42Å; Q213-L247 HydrophobicContact CG-CD1 4.32Å; Q213-L247 HydrophobicContact CG-CD2 3.9Å
214	A	66.2	Low	76.4	Confident	56 Å²	56	65.2 Å²	65.2	46%	0.463	36%	0.358	S	S	.	.			trans	-75.3	67.7	179.2	0	0	0	0	0	112.3	S210 L211 S216	S210-A214 WeakPolarHBondContact O-CB 3.43Å; S210-A214 PolarHBondContact O-N 2.99Å; S210-A214 VanDerWaalsContact O-N 3.08Å; L211-A214 PolarHBondContact O-N 3.11Å; A214-S216 VanDerWaalsContact C-N 3.26Å; A214-S216 PolarHBondContact O-N 3.32Å
215	M	55.1	Low	76.8	Confident	154 Å²	154	61.1 Å²	61.1	76%	0.759	34%	0.336	S	S	*	.			trans	-62.6	88.8	163.8	-76.3	-166.7	-70.5	0	0	109.5	Q213 L217	Q213-M215 PolarHBondContact O-N 3.42Å; M215-L217 PolarHBondContact O-N 3.26Å
216	S	45.5	Very low	77.1	Confident	64 Å²	64	60 Å²	60	45%	0.448	33%	0.331	S	S	.	.			trans	-63.4	128.8	175.9	172.1	0	0	0	0	109.9	A214 F218 A219	A214-S216 VanDerWaalsContact C-N 3.26Å; A214-S216 PolarHBondContact O-N 3.32Å; S216-F218 PolarHBondContact O-N 2.98Å; S216-F218 PolarHBondContact OG-N 3.43Å; S216-A219 WeakPolarHBondContact O-CB 3.38Å; S216-A219 PolarHBondContact O-N 3.03Å; S216-A219 VanDerWaalsContact O-N 3.11Å; S216-A219 PolarHBondContact OG-N 3.16Å
217	L	41.6	Very low	77.4	Confident	167 Å²	167	57 Å²	57	87%	0.874	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-1.3	173.8	-76.4	152.6	0	0	0	113.1	M215	M215-L217 PolarHBondContact O-N 3.26Å
218	F	45.3	Very low	77.8	Confident	194 Å²	194	55.9 Å²	55.9	85%	0.851	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.8	37	174.7	-56	-83.1	0	0	0	110.8	S216 S220	S216-F218 PolarHBondContact O-N 2.98Å; S216-F218 PolarHBondContact OG-N 3.43Å; F218-S220 PolarHBondContact O-N 2.75Å
219	A	53	Low	77.7	Confident	56 Å²	56	57.4 Å²	57.4	46%	0.463	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-58.8	116.2	-166.2	0	0	0	0	0	115.8	S216	S216-A219 WeakPolarHBondContact O-CB 3.38Å; S216-A219 PolarHBondContact O-N 3.03Å; S216-A219 VanDerWaalsContact O-N 3.11Å; S216-A219 PolarHBondContact OG-N 3.16Å
220	S	68.5	Low	77.3	Confident	43 Å²	43	63.6 Å²	63.6	30%	0.301	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-53.3	142.1	139.1	29.9	0	0	0	0	110.1	E193 F218	E193-S220 WeakPolarHBondContact OE1-CB 3.36Å; E193-S220 PolarHBondContact OE1-OG 3.05Å; F218-S220 PolarHBondContact O-N 2.75Å
221	R	85.7	Confident	77.1	Confident	83 Å²	83	67.4 Å²	67.4	31%	0.313	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	144.7	173.6	-50	174.3	137.9	179.3	-11.8	109.6	Q189 G190 F191 E192 E193 D251	Q189-R221 WeakPolarHBondContact O-CD 3.49Å; Q189-R221 PolarHBondContact O-NH1 2.97Å; G190-R221 WeakPolarHBondContact O-CB 3.43Å; F191-R221 CarbonylContact C-O 3.59Å; F191-R221 WeakPolarHBondContact CA-O 3.37Å; F191-R221 HydrophobicContact CB-CB 4.31Å; F191-R221 HydrophobicContact CD1-CB 3.57Å; F191-R221 HydrophobicContact CD2-CB 4.15Å; F191-R221 HydrophobicContact CE1-CB 3.82Å; F191-R221 HydrophobicContact CE2-CB 4.37Å; F191-R221 HydrophobicContact CG-CB 3.75Å; F191-R221 HydrophobicContact CZ-CB 4.22Å; E192-R221 PolarHBondContact N-O 3.23Å; E192-R221 VanDerWaalsContact N-O 3.17Å; E193-R221 PolarHBondContact N-O 3.36Å; R221-D251 WeakPolarHBondContact CA-O 3.44Å; R221-D251 HydrophobicContact CB-CB 4.38Å; R221-D251 HydrophobicContact CG-CB 4.04Å; R221-D251 IonicContact CZ-OD1 3.84Å; R221-D251 VanDerWaalsContact CZ-OD1 3.26Å; R221-D251 IonicContact NE-OD1 2.75Å; R221-D251 PolarHBondContact NE-OD1 2.9Å; R221-D251 IonicContact NH2-OD1 2.75Å; R221-D251 PolarHBondContact NH2-OD1 2.99Å
222	Q	89.4	Confident	77.2	Confident	17 Å²	17	66.2 Å²	66.2	8%	0.079	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	143.1	-169.9	50.9	160.6	-50.3	0	0	113.3	F191 E193 L211 D251 L252 L253	F191-Q222 WeakPolarHBondContact CD1-O 3.43Å; E193-Q222 HydrophobicContact CB-CB 4.06Å; E193-Q222 CarbonylContact O-C 3.6Å; E193-Q222 WeakPolarHBondContact O-CA 3.23Å; L211-Q222 PolarHBondContact O-NE2 3.13Å; L211-Q222 VanDerWaalsContact O-NE2 3.17Å; Q222-D251 PolarHBondContact N-O 3.32Å; Q222-L252 HydrophobicContact CG-CB 4.26Å; Q222-L252 HydrophobicContact CG-CD1 4.3Å; Q222-L252 HydrophobicContact CG-CG 4.04Å; Q222-L252 CarbonylContact O-C 3.54Å; Q222-L252 WeakPolarHBondContact O-CA 3.2Å; Q222-L253 PolarHBondContact O-N 3.31Å
223	T	92.4	Very high	77.5	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.5	175.3	-57.4	0	0	0	0	110	E193 H195 L253 I255	E193-T223 PolarHBondContact O-N 3.02Å; H195-T223 PolarHBondContact N-O 3.02Å; T223-L253 CarbonylContact C-O 3.59Å; T223-L253 WeakPolarHBondContact CA-O 3.48Å; T223-L253 HydrophobicContact CG2-CB 4.4Å; T223-L253 HydrophobicContact CG2-CD2 4.18Å; T223-L253 HydrophobicContact CG2-CG 4.37Å; T223-I255 HydrophobicContact CG2-CD1 3.7Å; T223-I255 HydrophobicContact CG2-CG1 4.07Å
224	L	93.8	Very high	78.1	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	107.9	178.8	177.6	60.8	0	0	0	110.2	H195 F197 I208 L211 L226 L244 L252 L253 L254 I255	H195-L224 HydrophobicContact CB-CD1 4.24Å; F197-L224 HydrophobicContact CD2-CD1 3.52Å; F197-L224 HydrophobicContact CE2-CD1 3.61Å; I208-L224 HydrophobicContact CG2-CD2 4.18Å; L211-L224 HydrophobicContact CD2-CD1 4.21Å; L224-L226 HydrophobicContact CD1-CD2 3.93Å; L224-L226 HydrophobicContact CD2-CD2 4.36Å; L224-L226 HydrophobicContact CG-CD2 3.98Å; L224-L226 HydrophobicContact CG-CG 4.44Å; L224-L244 HydrophobicContact CD2-CD1 4.11Å; L224-L244 HydrophobicContact CD2-CD2 4.21Å; L224-L252 HydrophobicContact CB-CD2 4.13Å; L224-L252 HydrophobicContact CD2-CD2 4.48Å; L224-L253 PolarHBondContact N-O 2.97Å; L224-L254 HydrophobicContact CD2-CD1 4.19Å; L224-L254 HydrophobicContact CG-CD1 4.24Å; L224-I255 PolarHBondContact O-N 2.97Å
225	L	96	Very high	79.1	Confident	4 Å²	4	64.8 Å²	64.8	2%	0.021	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	123.7	172.3	175.1	61.3	0	0	0	111	Q179 H195 T196 F197 L227 I255 R257	Q179-L225 HydrophobicContact CG-CD2 4.41Å; H195-L225 PolarHBondContact O-N 2.83Å; T196-L225 CarbonylContact C-O 3.52Å; T196-L225 VanDerWaalsContact CA-O 3.27Å; T196-L225 WeakPolarHBondContact CA-O 3.41Å; T196-L225 HydrophobicContact CG2-CB 4.25Å; T196-L225 HydrophobicContact CG2-CD2 3.83Å; T196-L225 HydrophobicContact CG2-CG 4.02Å; F197-L225 PolarHBondContact N-O 3.14Å; L225-L227 HydrophobicContact CD1-CD2 4.07Å; L225-L227 HydrophobicContact CD2-CD2 4.04Å; L225-L227 HydrophobicContact CG-CD2 3.9Å; L225-I255 CarbonylContact C-O 3.53Å; L225-I255 WeakPolarHBondContact CA-O 3.48Å; L225-I255 HydrophobicContact CD1-CB 3.84Å; L225-I255 HydrophobicContact CD1-CG2 3.64Å; L225-R257 HydrophobicContact CD1-CB 3.98Å
226	L	95.9	Very high	80.8	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.6	171.2	-54.9	-172.1	0	0	0	110.4	F197 I199 L224 L241 L244 L254 I255 R257	F197-L226 HydrophobicContact CB-CD2 4.05Å; F197-L226 HydrophobicContact CD2-CD2 4.39Å; F197-L226 WeakPolarHBondContact O-CA 3.43Å; I199-L226 HydrophobicContact CD1-CD2 4.22Å; I199-L226 HydrophobicContact CG1-CB 4.21Å; L224-L226 HydrophobicContact CD1-CD2 3.93Å; L224-L226 HydrophobicContact CD2-CD2 4.36Å; L224-L226 HydrophobicContact CG-CD2 3.98Å; L224-L226 HydrophobicContact CG-CG 4.44Å; L226-L241 HydrophobicContact CD1-CD2 3.74Å; L226-L244 HydrophobicContact CD1-CD2 3.57Å; L226-L254 HydrophobicContact CD1-CD1 4.16Å; L226-L254 HydrophobicContact CG-CD1 4.14Å; L226-I255 PolarHBondContact N-O 3.24Å; L226-R257 PolarHBondContact O-N 2.87Å
227	L	95.5	Very high	83	Confident	53 Å²	53	57.4 Å²	57.4	28%	0.277	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114	172.8	-47	-179.6	0	0	0	108.8	T196 F197 I199 L225 R257	T196-L227 HydrophobicContact CG2-CD1 4.29Å; T196-L227 HydrophobicContact CG2-CG 4.32Å; F197-L227 PolarHBondContact O-N 2.99Å; I199-L227 WeakPolarHBondContact CB-O 3.5Å; I199-L227 PolarHBondContact N-O 2.96Å; L225-L227 HydrophobicContact CD1-CD2 4.07Å; L225-L227 HydrophobicContact CD2-CD2 4.04Å; L225-L227 HydrophobicContact CG-CD2 3.9Å; L227-R257 CarbonylContact C-O 3.31Å; L227-R257 WeakPolarHBondContact CA-O 3.44Å; L227-R257 HydrophobicContact CD2-CB 3.94Å; L227-R257 HydrophobicContact CD2-CG 4.16Å
228	L	94.1	Very high	85.4	Confident	18 Å²	18	51 Å²	51	9%	0.094	29%	0.285	C	S	.	.			trans	-71.2	157.2	179.1	-71	167	0	0	0	112.2	L168 P233 L241 V256 R257 L261	L168-L228 HydrophobicContact CD2-CD1 4.26Å; L228-P233 HydrophobicContact CD2-CB 4.34Å; L228-L241 HydrophobicContact CD2-CD1 4.2Å; L228-V256 HydrophobicContact CD1-CG1 3.66Å; L228-V256 HydrophobicContact CD2-CG1 4.31Å; L228-V256 HydrophobicContact CG-CG1 3.79Å; L228-R257 PolarHBondContact N-O 3.34Å; L228-L261 HydrophobicContact CD1-CD2 4.18Å
229	P	89.5	Confident	87.6	Confident	33 Å²	33	48.2 Å²	48.2	21%	0.214	28%	0.275	C	S	.	.			trans	-58.4	155.7	167.2	-16.8	27.4	0	0	0	111.8	I199 N231 G232 I237	I199-P229 WeakPolarHBondContact O-CD 3.18Å; I199-P229 WeakPolarHBondContact O-CG 3.44Å; P229-N231 PolarHBondContact O-N 2.89Å; P229-G232 WeakPolarHBondContact CG-O 3.49Å; P229-G232 WeakPolarHBondContact O-CA 3.39Å; P229-G232 PolarHBondContact O-N 3.31Å; P229-I237 HydrophobicContact CG-CD1 3.76Å
230	E	81.2	Confident	89.5	Confident	157 Å²	157	48.4 Å²	48.4	73%	0.734	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-31.1	176.4	-65.3	-171.8	165.8	0	0	112.7	G232 N259	E230-G232 PolarHBondContact O-N 3.2Å; E230-N259 WeakPolarHBondContact CA-ND2 3.4Å; E230-N259 PolarHBondContact O-ND2 3.07Å
231	N	83	Confident	90.8	Very high	153 Å²	153	46.6 Å²	46.6	82%	0.818	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	3.8	174	-64	-24.5	0	0	0	113.7	P229 Q265	P229-N231 PolarHBondContact O-N 2.89Å; N231-Q265 PolarHBondContact O-NE2 3.36Å; N231-Q265 VanDerWaalsContact O-NE2 3.1Å
232	G	87.7	Confident	91.2	Very high	8 Å²	8	46.1 Å²	46.1	8%	0.082	26%	0.257	C	S	.	.			trans	71.2	-171.8	-171	0	0	0	0	0	113.5	P229 E230	P229-G232 WeakPolarHBondContact CG-O 3.49Å; P229-G232 WeakPolarHBondContact O-CA 3.39Å; P229-G232 PolarHBondContact O-N 3.31Å; E230-G232 PolarHBondContact O-N 3.2Å
233	P	90.5	Very high	91.3	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.019	28%	0.275	C	S	.	.			trans	-73.2	134.8	-179.6	31.2	-34.6	0	0	0	111.5	L228 I237 N238 L241 L261 Q265 W270	L228-P233 HydrophobicContact CD2-CB 4.34Å; P233-I237 HydrophobicContact CB-CB 4.01Å; P233-I237 HydrophobicContact CB-CG2 3.54Å; P233-N238 WeakPolarHBondContact CB-OD1 3.31Å; P233-N238 WeakPolarHBondContact CG-OD1 3.36Å; P233-L241 HydrophobicContact CB-CD1 4.18Å; P233-L261 VanDerWaalsContact CD-CD2 3.41Å; P233-L261 HydrophobicContact CG-CD2 4.13Å; P233-Q265 HydrophobicContact CG-CB 4.25Å; P233-Q265 HydrophobicContact CG-CG 4.14Å; P233-Q265 PolarHBondContact O-NE2 2.7Å; P233-W270 HydrophobicContact CG-CZ2 4.21Å
234	N	89.7	Confident	91.3	Very high	76 Å²	76	49 Å²	49	41%	0.406	28%	0.275	S	S	.	.			trans	-87.9	-179	169.2	70.2	30	0	0	0	111.1	A236 I237 N238	N234-A236 PolarHBondContact O-N 2.79Å; N234-A236 PolarHBondContact OD1-N 2.88Å; N234-A236 VanDerWaalsContact OD1-N 3.12Å; N234-I237 PolarHBondContact O-N 3.46Å; N234-I237 WeakPolarHBondContact OD1-CG1 3.4Å; N234-I237 PolarHBondContact OD1-N 3.42Å; N234-N238 VanDerWaalsContact O-CG 3.3Å; N234-N238 PolarHBondContact O-N 3.41Å; N234-N238 PolarHBondContact O-ND2 2.9Å
235	A	88.5	Confident	91.1	Very high	78 Å²	78	50.1 Å²	50.1	65%	0.645	28%	0.282	S	S	*	.	H	α-helix	trans	-54.1	-49.3	-178.6	0	0	0	0	0	113.6	N238 E239	A235-N238 WeakPolarHBondContact O-CB 3.27Å; A235-N238 PolarHBondContact O-N 2.87Å; A235-E239 PolarHBondContact O-N 2.9Å
236	A	89.1	Confident	90.7	Very high	57 Å²	57	53.2 Å²	53.2	47%	0.471	32%	0.315	S	S	.	.	H	α-helix	trans	-64.7	-42	179	0	0	0	0	0	112	N234 N238 E239 Q240	N234-A236 PolarHBondContact O-N 2.79Å; N234-A236 PolarHBondContact OD1-N 2.88Å; N234-A236 VanDerWaalsContact OD1-N 3.12Å; A236-N238 VanDerWaalsContact C-N 3.28Å; A236-N238 PolarHBondContact O-N 3.48Å; A236-E239 PolarHBondContact O-N 3.03Å; A236-Q240 WeakPolarHBondContact O-CG 3.37Å; A236-Q240 PolarHBondContact O-N 2.86Å; A236-Q240 VanDerWaalsContact O-N 3.15Å
237	I	92.5	Very high	90.4	Very high	5 Å²	5	55.2 Å²	55.2	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-62.4	-36.3	176.4	-64.6	166.2	0	0	0	110.8	I199 W205 P229 P233 N234 E239 Q240 L241	I199-I237 HydrophobicContact CG2-CD1 3.92Å; I199-I237 HydrophobicContact CG2-CG1 4.05Å; I199-I237 HydrophobicContact CG2-CG2 3.84Å; W205-I237 HydrophobicContact CH2-CG2 4.47Å; W205-I237 HydrophobicContact CZ2-CG2 4.29Å; P229-I237 HydrophobicContact CG-CD1 3.76Å; P233-I237 HydrophobicContact CB-CB 4.01Å; P233-I237 HydrophobicContact CB-CG2 3.54Å; N234-I237 PolarHBondContact O-N 3.46Å; N234-I237 WeakPolarHBondContact OD1-CG1 3.4Å; N234-I237 PolarHBondContact OD1-N 3.42Å; I237-E239 VanDerWaalsContact C-N 3.32Å; I237-E239 PolarHBondContact O-N 2.95Å; I237-Q240 PolarHBondContact O-N 3.12Å; I237-L241 HydrophobicContact CG2-CD1 3.74Å; I237-L241 HydrophobicContact CG2-CG 4.03Å; I237-L241 WeakPolarHBondContact O-CB 3.09Å; I237-L241 VanDerWaalsContact O-CG 3.28Å; I237-L241 WeakPolarHBondContact O-CG 3.25Å; I237-L241 PolarHBondContact O-N 3.19Å
238	N	92	Very high	89.9	Confident	33 Å²	33	53.7 Å²	53.7	18%	0.176	32%	0.317	C	S	.	.	H	α-helix	trans	-63.6	-34.1	176.9	-71.3	-42.9	0	0	0	113	P233 N234 A235 A236 L242 A268 W270	P233-N238 WeakPolarHBondContact CB-OD1 3.31Å; P233-N238 WeakPolarHBondContact CG-OD1 3.36Å; N234-N238 VanDerWaalsContact O-CG 3.3Å; N234-N238 PolarHBondContact O-N 3.41Å; N234-N238 PolarHBondContact O-ND2 2.9Å; A235-N238 WeakPolarHBondContact O-CB 3.27Å; A235-N238 PolarHBondContact O-N 2.87Å; A236-N238 VanDerWaalsContact C-N 3.28Å; A236-N238 PolarHBondContact O-N 3.48Å; N238-L242 VanDerWaalsContact O-CB 3.31Å; N238-L242 WeakPolarHBondContact O-CB 3.23Å; N238-L242 PolarHBondContact O-N 3.07Å; N238-A268 HydrophobicContact CB-CB 4.41Å; N238-W270 PolarHBondContact OD1-NE1 3.14Å
239	E	91.8	Very high	89.5	Confident	135 Å²	135	55.5 Å²	55.5	63%	0.631	33%	0.325	S	S	*	.	H	α-helix	trans	-72.9	-40.2	175.2	-65.1	-177.2	162	0	0	112.3	A235 A236 I237 L242 T243	A235-E239 PolarHBondContact O-N 2.9Å; A236-E239 PolarHBondContact O-N 3.03Å; I237-E239 VanDerWaalsContact C-N 3.32Å; I237-E239 PolarHBondContact O-N 2.95Å; E239-L242 PolarHBondContact O-N 2.94Å; E239-T243 PolarHBondContact O-N 3.37Å; E239-T243 PolarHBondContact O-OG1 3.2Å
240	Q	93.8	Very high	89.3	Confident	61 Å²	61	60.6 Å²	60.6	29%	0.285	35%	0.351	S	S	.	.	H	α-helix	trans	-67.1	-42.9	177	-61.2	-68.5	-17.2	0	0	111.4	W205 F209 A236 I237 T243 L244	W205-Q240 HydrophobicContact CD2-CB 3.52Å; W205-Q240 HydrophobicContact CD2-CG 3.84Å; W205-Q240 HydrophobicContact CE3-CB 3.64Å; W205-Q240 HydrophobicContact CE3-CG 4.44Å; W205-Q240 HydrophobicContact CG-CB 4.16Å; W205-Q240 HydrophobicContact CG-CG 3.98Å; W205-Q240 HydrophobicContact CH2-CB 3.71Å; W205-Q240 HydrophobicContact CZ2-CB 3.6Å; W205-Q240 HydrophobicContact CZ2-CG 4.18Å; W205-Q240 HydrophobicContact CZ3-CB 3.73Å; F209-Q240 HydrophobicContact CZ-CB 4.45Å; A236-Q240 WeakPolarHBondContact O-CG 3.37Å; A236-Q240 PolarHBondContact O-N 2.86Å; A236-Q240 VanDerWaalsContact O-N 3.15Å; I237-Q240 PolarHBondContact O-N 3.12Å; Q240-T243 WeakPolarHBondContact O-CB 3.25Å; Q240-T243 PolarHBondContact O-N 2.87Å; Q240-L244 PolarHBondContact O-N 3.06Å
241	L	94.1	Very high	89.6	Confident	4 Å²	4	56 Å²	56	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-63.7	-38.2	172.2	-70.4	174.8	0	0	0	111.9	W205 L226 L228 P233 I237 T243 L244 T245 W270	W205-L241 HydrophobicContact CH2-CD2 4.01Å; W205-L241 HydrophobicContact CH2-CG 4.18Å; W205-L241 HydrophobicContact CZ3-CD2 4.33Å; L226-L241 HydrophobicContact CD1-CD2 3.74Å; L228-L241 HydrophobicContact CD2-CD1 4.2Å; P233-L241 HydrophobicContact CB-CD1 4.18Å; I237-L241 HydrophobicContact CG2-CD1 3.74Å; I237-L241 HydrophobicContact CG2-CG 4.03Å; I237-L241 WeakPolarHBondContact O-CB 3.09Å; I237-L241 VanDerWaalsContact O-CG 3.28Å; I237-L241 WeakPolarHBondContact O-CG 3.25Å; I237-L241 PolarHBondContact O-N 3.19Å; L241-T243 VanDerWaalsContact C-N 3.33Å; L241-T243 PolarHBondContact O-N 3.41Å; L241-L244 WeakPolarHBondContact O-CB 3.29Å; L241-L244 PolarHBondContact O-N 2.73Å; L241-T245 WeakPolarHBondContact O-CG2 3.28Å; L241-T245 PolarHBondContact O-N 2.91Å; L241-T245 VanDerWaalsContact O-N 3.08Å; L241-W270 HydrophobicContact CB-CB 3.84Å; L241-W270 HydrophobicContact CB-CD2 3.78Å; L241-W270 HydrophobicContact CB-CE3 4.25Å; L241-W270 HydrophobicContact CB-CG 3.57Å; L241-W270 HydrophobicContact CD1-CD2 3.83Å; L241-W270 HydrophobicContact CD1-CE3 4.28Å; L241-W270 HydrophobicContact CD1-CG 4.3Å; L241-W270 HydrophobicContact CD1-CH2 4.27Å; L241-W270 HydrophobicContact CD1-CZ2 3.82Å; L241-W270 HydrophobicContact CD1-CZ3 4.48Å; L241-W270 HydrophobicContact CG-CD2 4.42Å
242	L	94.2	Very high	89.9	Confident	74 Å²	74	48.8 Å²	48.8	39%	0.387	29%	0.293	S	S	.	.	H	α-helix	trans	-61.4	-44.9	175.3	177.2	63.6	0	0	0	110.8	N238 E239 L244 T245 A269 W270	N238-L242 VanDerWaalsContact O-CB 3.31Å; N238-L242 WeakPolarHBondContact O-CB 3.23Å; N238-L242 PolarHBondContact O-N 3.07Å; E239-L242 PolarHBondContact O-N 2.94Å; L242-L244 VanDerWaalsContact C-N 3.29Å; L242-L244 PolarHBondContact O-N 3.15Å; L242-T245 PolarHBondContact O-N 3.25Å; L242-T245 VanDerWaalsContact O-N 3.14Å; L242-T245 PolarHBondContact O-OG1 3.4Å; L242-A269 HydrophobicContact CD1-CB 3.92Å; L242-A269 HydrophobicContact CD2-CB 3.98Å; L242-A269 HydrophobicContact CG-CB 4.48Å; L242-W270 HydrophobicContact CB-CB 4.04Å
243	T	92.2	Very high	90.2	Very high	75 Å²	75	48.6 Å²	48.6	46%	0.46	29%	0.29	S	S	.	.	H	α-helix	trans	-57.4	-42.9	175.2	-55.9	0	0	0	0	111.1	F209 E239 Q240 L241 T245 G246	F209-T243 HydrophobicContact CD1-CG2 4.44Å; F209-T243 HydrophobicContact CE1-CG2 3.88Å; F209-T243 HydrophobicContact CE2-CG2 4.07Å; F209-T243 HydrophobicContact CZ-CG2 3.68Å; E239-T243 PolarHBondContact O-N 3.37Å; E239-T243 PolarHBondContact O-OG1 3.2Å; Q240-T243 WeakPolarHBondContact O-CB 3.25Å; Q240-T243 PolarHBondContact O-N 2.87Å; L241-T243 VanDerWaalsContact C-N 3.33Å; L241-T243 PolarHBondContact O-N 3.41Å; T243-T245 PolarHBondContact O-N 3.34Å; T243-G246 PolarHBondContact O-N 3.47Å
244	L	92.2	Very high	90.4	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-61.7	-38.3	176	-173.8	65.9	0	0	0	113.2	I208 F209 C212 L224 L226 Q240 L241 L242 G246 L247 L254	I208-L244 HydrophobicContact CG2-CD1 4.19Å; F209-L244 HydrophobicContact CD1-CD1 4.46Å; F209-L244 HydrophobicContact CE1-CB 4.2Å; C212-L244 HydrophobicContact CB-CD1 4.41Å; C212-L244 WeakPolarHBondContact SG-CD1 3.32Å; L224-L244 HydrophobicContact CD2-CD1 4.11Å; L224-L244 HydrophobicContact CD2-CD2 4.21Å; L226-L244 HydrophobicContact CD1-CD2 3.57Å; Q240-L244 PolarHBondContact O-N 3.06Å; L241-L244 WeakPolarHBondContact O-CB 3.29Å; L241-L244 PolarHBondContact O-N 2.73Å; L242-L244 VanDerWaalsContact C-N 3.29Å; L242-L244 PolarHBondContact O-N 3.15Å; L244-G246 PolarHBondContact O-N 2.92Å; L244-G246 VanDerWaalsContact O-N 3.15Å; L244-L247 PolarHBondContact O-N 2.81Å; L244-L254 HydrophobicContact CD2-CD1 4.1Å
245	T	90.6	Very high	90.7	Very high	24 Å²	24	45 Å²	45	15%	0.147	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-26.7	179.6	67.2	0	0	0	0	113.4	L241 L242 T243 L247 W270 A273 L274	L241-T245 WeakPolarHBondContact O-CG2 3.28Å; L241-T245 PolarHBondContact O-N 2.91Å; L241-T245 VanDerWaalsContact O-N 3.08Å; L242-T245 PolarHBondContact O-N 3.25Å; L242-T245 VanDerWaalsContact O-N 3.14Å; L242-T245 PolarHBondContact O-OG1 3.4Å; T243-T245 PolarHBondContact O-N 3.34Å; T245-L247 VanDerWaalsContact C-N 3.3Å; T245-L247 PolarHBondContact O-N 3.44Å; T245-W270 HydrophobicContact CG2-CB 4.07Å; T245-A273 HydrophobicContact CG2-CB 4.39Å; T245-L274 HydrophobicContact CG2-CD1 4.27Å; T245-L274 HydrophobicContact CG2-CD2 3.9Å; T245-L274 HydrophobicContact CG2-CG 3.78Å
246	G	86.9	Confident	91.1	Very high	68 Å²	68	41.4 Å²	41.4	70%	0.701	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-9.9	175.6	0	0	0	0	0	114.9	T243 L244	T243-G246 PolarHBondContact O-N 3.47Å; L244-G246 PolarHBondContact O-N 2.92Å; L244-G246 VanDerWaalsContact O-N 3.15Å
247	L	88.5	Confident	91.5	Very high	43 Å²	43	41.2 Å²	41.2	23%	0.225	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	1	-177.8	-59.3	175.9	0	0	0	113.5	F209 C212 Q213 L244 T245	F209-L247 HydrophobicContact CB-CD1 4.13Å; F209-L247 HydrophobicContact CD1-CD1 3.77Å; F209-L247 HydrophobicContact CG-CD1 4.25Å; C212-L247 HydrophobicContact CB-CB 3.89Å; C212-L247 HydrophobicContact CB-CD1 4.05Å; Q213-L247 HydrophobicContact CG-CD1 4.32Å; Q213-L247 HydrophobicContact CG-CD2 3.9Å; L244-L247 PolarHBondContact O-N 2.81Å; T245-L247 VanDerWaalsContact C-N 3.3Å; T245-L247 PolarHBondContact O-N 3.44Å
248	L	86.1	Confident	91.5	Very high	20 Å²	20	41.4 Å²	41.4	11%	0.105	23%	0.23	C	C	.	.			trans	-77.7	129.9	-176.6	-59.1	-179.5	0	0	0	112.6	L252 L254 L274	L248-L252 HydrophobicContact CD2-CD2 3.88Å; L248-L254 HydrophobicContact CD1-CD2 4.1Å; L248-L254 HydrophobicContact CD2-CB 4.08Å; L248-L254 HydrophobicContact CD2-CD2 4.31Å; L248-L274 HydrophobicContact CD1-CD2 3.58Å
249	H	86.4	Confident	91.5	Very high	56 Å²	56	42.7 Å²	42.7	26%	0.259	24%	0.237	S	C	.	.			trans	-133.9	164.9	175.8	63	97.5	0	0	0	110.7	D251 L252	H249-D251 PolarHBondContact O-N 2.83Å; H249-L252 PolarHBondContact O-N 3.02Å
250	D	84.5	Confident	91.5	Very high	141 Å²	141	42.9 Å²	42.9	75%	0.754	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-13.3	-167.8	-61	-31.6	0	0	0	115.2
251	D	87.6	Confident	91.4	Very high	60 Å²	60	40.3 Å²	40.3	32%	0.321	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	6.7	177	-55	-59.5	0	0	0	113.1	R221 Q222 H249	R221-D251 WeakPolarHBondContact CA-O 3.44Å; R221-D251 HydrophobicContact CB-CB 4.38Å; R221-D251 HydrophobicContact CG-CB 4.04Å; R221-D251 IonicContact CZ-OD1 3.84Å; R221-D251 VanDerWaalsContact CZ-OD1 3.26Å; R221-D251 IonicContact NE-OD1 2.75Å; R221-D251 PolarHBondContact NE-OD1 2.9Å; R221-D251 IonicContact NH2-OD1 2.75Å; R221-D251 PolarHBondContact NH2-OD1 2.99Å; Q222-D251 PolarHBondContact N-O 3.32Å; H249-D251 PolarHBondContact O-N 2.83Å
252	L	89.8	Confident	91.1	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	108.4	173.4	-168.7	161.2	0	0	0	110.7	C212 Q222 L224 L248 H249	C212-L252 HydrophobicContact CB-CD1 3.9Å; Q222-L252 HydrophobicContact CG-CB 4.26Å; Q222-L252 HydrophobicContact CG-CD1 4.3Å; Q222-L252 HydrophobicContact CG-CG 4.04Å; Q222-L252 CarbonylContact O-C 3.54Å; Q222-L252 WeakPolarHBondContact O-CA 3.2Å; L224-L252 HydrophobicContact CB-CD2 4.13Å; L224-L252 HydrophobicContact CD2-CD2 4.48Å; L248-L252 HydrophobicContact CD2-CD2 3.88Å; H249-L252 PolarHBondContact O-N 3.02Å
253	L	93	Very high	90.7	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	116	-179.7	179.3	65.5	0	0	0	110.9	L161 R162 Y165 V182 A186 F191 Q222 T223 L224	L161-L253 HydrophobicContact CD1-CD2 4.5Å; L161-L253 HydrophobicContact CD2-CD1 4.39Å; L161-L253 HydrophobicContact CD2-CD2 4.37Å; L161-L253 HydrophobicContact CG-CD1 4.32Å; R162-L253 WeakPolarHBondContact O-CD1 3.4Å; Y165-L253 HydrophobicContact CD2-CD1 3.95Å; Y165-L253 HydrophobicContact CE2-CD1 3.94Å; V182-L253 HydrophobicContact CG1-CD2 4.04Å; A186-L253 HydrophobicContact CB-CD2 3.43Å; A186-L253 VanDerWaalsContact CB-CD2 3.43Å; F191-L253 HydrophobicContact CD1-CB 3.83Å; F191-L253 HydrophobicContact CE1-CB 3.61Å; F191-L253 HydrophobicContact CZ-CB 4.31Å; Q222-L253 PolarHBondContact O-N 3.31Å; T223-L253 CarbonylContact C-O 3.59Å; T223-L253 WeakPolarHBondContact CA-O 3.48Å; T223-L253 HydrophobicContact CG2-CB 4.4Å; T223-L253 HydrophobicContact CG2-CD2 4.18Å; T223-L253 HydrophobicContact CG2-CG 4.37Å; L224-L253 PolarHBondContact N-O 2.97Å
254	L	94.9	Very high	90.4	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	132.9	175.2	179.7	63.7	0	0	0	111.5	A163 A164 Y165 L224 L226 L244 L248 V256 L274	A163-L254 PolarHBondContact O-N 3.49Å; A163-L254 VanDerWaalsContact O-N 3.09Å; A164-L254 CarbonylContact C-O 3.56Å; A164-L254 VanDerWaalsContact CA-O 3.22Å; A164-L254 WeakPolarHBondContact CA-O 3.27Å; A164-L254 HydrophobicContact CB-CB 3.98Å; A164-L254 HydrophobicContact CB-CD2 4.15Å; A164-L254 HydrophobicContact CB-CG 4.31Å; Y165-L254 PolarHBondContact N-O 3.03Å; L224-L254 HydrophobicContact CD2-CD1 4.19Å; L224-L254 HydrophobicContact CG-CD1 4.24Å; L226-L254 HydrophobicContact CD1-CD1 4.16Å; L226-L254 HydrophobicContact CG-CD1 4.14Å; L244-L254 HydrophobicContact CD2-CD1 4.1Å; L248-L254 HydrophobicContact CD1-CD2 4.1Å; L248-L254 HydrophobicContact CD2-CB 4.08Å; L248-L254 HydrophobicContact CD2-CD2 4.31Å; L254-V256 HydrophobicContact CD1-CG2 4.11Å; L254-V256 HydrophobicContact CD2-CG2 4.07Å; L254-V256 HydrophobicContact CG-CG2 3.97Å; L254-L274 HydrophobicContact CD2-CD1 4.17Å
255	I	96.7	Very high	90.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	126.8	165.5	-50.8	178	0	0	0	107.7	Y165 L167 V182 R183 T223 L224 L225 L226	Y165-I255 CarbonylContact O-C 3.51Å; Y165-I255 WeakPolarHBondContact O-CA 3.48Å; L167-I255 HydrophobicContact CD1-CG2 3.7Å; L167-I255 HydrophobicContact CG-CG2 4.08Å; V182-I255 HydrophobicContact CB-CD1 4.31Å; V182-I255 HydrophobicContact CG1-CD1 3.67Å; V182-I255 HydrophobicContact CG1-CG1 4.08Å; R183-I255 HydrophobicContact CG-CD1 4.25Å; T223-I255 HydrophobicContact CG2-CD1 3.7Å; T223-I255 HydrophobicContact CG2-CG1 4.07Å; L224-I255 PolarHBondContact O-N 2.97Å; L225-I255 CarbonylContact C-O 3.53Å; L225-I255 WeakPolarHBondContact CA-O 3.48Å; L225-I255 HydrophobicContact CD1-CB 3.84Å; L225-I255 HydrophobicContact CD1-CG2 3.64Å; L226-I255 PolarHBondContact N-O 3.24Å
256	V	96.4	Very high	90.3	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.3	173.4	-174.1	0	0	0	0	108	Y165 L166 L167 L228 L254	Y165-V256 PolarHBondContact O-N 2.9Å; L166-V256 HydrophobicContact CD2-CB 3.76Å; L166-V256 HydrophobicContact CD2-CG2 3.77Å; L167-V256 PolarHBondContact N-O 3.24Å; L228-V256 HydrophobicContact CD1-CG1 3.66Å; L228-V256 HydrophobicContact CD2-CG1 4.31Å; L228-V256 HydrophobicContact CG-CG1 3.79Å; L254-V256 HydrophobicContact CD1-CG2 4.11Å; L254-V256 HydrophobicContact CD2-CG2 4.07Å; L254-V256 HydrophobicContact CG-CG2 3.97Å
257	R	97.1	Very high	90.4	Very high	53 Å²	53	46.3 Å²	46.3	20%	0.2	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.5	-177.4	173.3	173.5	176.8	158.7	8.9	110.1	L167 L175 L225 L226 L227 L228	L167-R257 HydrophobicContact CB-CB 4.5Å; L167-R257 WeakPolarHBondContact O-CA 3.37Å; L175-R257 HydrophobicContact CD2-CG 4.31Å; L225-R257 HydrophobicContact CD1-CB 3.98Å; L226-R257 PolarHBondContact O-N 2.87Å; L227-R257 CarbonylContact C-O 3.31Å; L227-R257 WeakPolarHBondContact CA-O 3.44Å; L227-R257 HydrophobicContact CD2-CB 3.94Å; L227-R257 HydrophobicContact CD2-CG 4.16Å; L228-R257 PolarHBondContact N-O 3.34Å
258	G	93.8	Very high	90.6	Very high	9 Å²	9	44.9 Å²	44.9	9%	0.093	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.6	-174.4	175.6	0	0	0	0	0	114.6	L167 L168 G169	L167-G258 PolarHBondContact O-N 3.12Å; L168-G258 WeakPolarHBondContact CA-O 3.29Å; G169-G258 PolarHBondContact N-O 3.46Å; G169-G258 VanDerWaalsContact O-O 3.07Å
259	N	91.2	Very high	90.9	Very high	61 Å²	61	46.4 Å²	46.4	33%	0.326	25%	0.249	S	C	.	.	S	Bend	trans	-62.1	163.6	173.6	-76.6	-15.5	0	0	0	112.1	G169 E230 L261	G169-N259 WeakPolarHBondContact O-CA 3.47Å; G169-N259 PolarHBondContact O-OD1 3.16Å; E230-N259 WeakPolarHBondContact CA-ND2 3.4Å; E230-N259 PolarHBondContact O-ND2 3.07Å; N259-L261 PolarHBondContact O-N 3.16Å
260	K	90.9	Very high	91.3	Very high	139 Å²	139	43.9 Å²	43.9	60%	0.604	24%	0.238	S	C	*	.	P	Polyproline II helix	trans	-57	123.4	174.3	-177.5	178.2	-179.2	177.3	0	109.9
261	L	91.5	Very high	91.8	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.031	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-67.7	144.1	175	-63.5	-175	0	0	0	110.6	L168 L228 P233 N259 Q265 E266 W270 F271	L168-L261 HydrophobicContact CD1-CD1 3.95Å; L168-L261 HydrophobicContact CD1-CG 3.96Å; L168-L261 HydrophobicContact CD2-CD1 4.49Å; L168-L261 HydrophobicContact CD2-CG 4.13Å; L228-L261 HydrophobicContact CD1-CD2 4.18Å; P233-L261 VanDerWaalsContact CD-CD2 3.41Å; P233-L261 HydrophobicContact CG-CD2 4.13Å; N259-L261 PolarHBondContact O-N 3.16Å; L261-Q265 HydrophobicContact CB-CB 4.12Å; L261-Q265 HydrophobicContact CD2-CB 4.26Å; L261-E266 HydrophobicContact CB-CG 3.77Å; L261-W270 HydrophobicContact CD1-CH2 4.21Å; L261-W270 HydrophobicContact CD1-CZ2 4.02Å; L261-F271 HydrophobicContact CD1-CD2 3.67Å; L261-F271 HydrophobicContact CD1-CE2 3.68Å
262	S	88.2	Confident	91.9	Very high	32 Å²	32	39.4 Å²	39.4	22%	0.224	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-76.1	156.2	168.9	75.9	0	0	0	0	110.5	A264 Q265 E266	S262-A264 PolarHBondContact O-N 3.15Å; S262-Q265 VanDerWaalsContact CB-OE1 3.29Å; S262-Q265 CarbonylContact O-C 3.58Å; S262-Q265 WeakPolarHBondContact O-CA 3.47Å; S262-Q265 WeakPolarHBondContact O-CB 3.44Å; S262-Q265 PolarHBondContact O-N 3.38Å; S262-Q265 PolarHBondContact OG-OE1 2.97Å; S262-E266 PolarHBondContact O-N 3.4Å
263	K	86.8	Confident	92	Very high	86 Å²	86	41.8 Å²	41.8	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-57.2	-24.4	-178.6	-71.1	-159.7	168.7	-142.5	0	114.7	N267 P551 N594	K263-N267 WeakPolarHBondContact O-CB 3.28Å; K263-N267 VanDerWaalsContact O-CG 3.27Å; K263-N267 PolarHBondContact O-N 3.2Å; K263-N267 PolarHBondContact O-ND2 3.41Å; K263-P551 HydrophobicContact CB-CB 4.3Å; K263-N594 HydrophobicContact CD-CB 3.77Å; K263-N594 PolarHBondContact NZ-ND2 3.28Å; K263-N594 VanDerWaalsContact NZ-ND2 3.15Å
264	A	84.4	Confident	91.9	Very high	48 Å²	48	41.8 Å²	41.8	40%	0.397	24%	0.235	S	C	.	.	H	α-helix	trans	-73.8	-32.1	173.7	0	0	0	0	0	112.5	S262 W592	S262-A264 PolarHBondContact O-N 3.15Å; A264-W592 HydrophobicContact CB-CZ3 4.31Å
265	Q	90.5	Very high	91.4	Very high	30 Å²	30	44.3 Å²	44.3	14%	0.14	26%	0.257	C	S	.	.	H	α-helix	trans	-81.5	-34.1	175.1	-68.2	157.1	-45.4	0	0	111.8	N231 P233 L261 S262 N267 A268	N231-Q265 PolarHBondContact O-NE2 3.36Å; N231-Q265 VanDerWaalsContact O-NE2 3.1Å; P233-Q265 HydrophobicContact CG-CB 4.25Å; P233-Q265 HydrophobicContact CG-CG 4.14Å; P233-Q265 PolarHBondContact O-NE2 2.7Å; L261-Q265 HydrophobicContact CB-CB 4.12Å; L261-Q265 HydrophobicContact CD2-CB 4.26Å; S262-Q265 VanDerWaalsContact CB-OE1 3.29Å; S262-Q265 CarbonylContact O-C 3.58Å; S262-Q265 WeakPolarHBondContact O-CA 3.47Å; S262-Q265 WeakPolarHBondContact O-CB 3.44Å; S262-Q265 PolarHBondContact O-N 3.38Å; S262-Q265 PolarHBondContact OG-OE1 2.97Å; Q265-N267 VanDerWaalsContact C-N 3.26Å; Q265-N267 PolarHBondContact O-N 2.92Å; Q265-A268 WeakPolarHBondContact O-CB 3.36Å; Q265-A268 PolarHBondContact O-N 3.08Å; Q265-A268 VanDerWaalsContact O-N 3.1Å
266	E	90.6	Very high	90.9	Very high	49 Å²	49	51.4 Å²	51.4	23%	0.229	30%	0.295	C	S	.	.	H	α-helix	trans	-63.4	-32.8	170.7	-64.3	177.3	144.2	0	0	111.7	L261 S262 A268 F271	L261-E266 HydrophobicContact CB-CG 3.77Å; S262-E266 PolarHBondContact O-N 3.4Å; E266-A268 VanDerWaalsContact C-N 3.27Å; E266-A268 PolarHBondContact O-N 3.22Å; E266-F271 HydrophobicContact CB-CE1 4.35Å; E266-F271 HydrophobicContact CG-CZ 4.48Å; E266-F271 WeakPolarHBondContact O-CD1 3.45Å; E266-F271 WeakPolarHBondContact O-CG 3.46Å
267	N	90.6	Very high	90.5	Very high	129 Å²	129	58.2 Å²	58.2	69%	0.69	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	3.5	173.7	-72.5	-17.7	0	0	0	114	K263 Q265	K263-N267 WeakPolarHBondContact O-CB 3.28Å; K263-N267 VanDerWaalsContact O-CG 3.27Å; K263-N267 PolarHBondContact O-N 3.2Å; K263-N267 PolarHBondContact O-ND2 3.41Å; Q265-N267 VanDerWaalsContact C-N 3.26Å; Q265-N267 PolarHBondContact O-N 2.92Å
268	A	92	Very high	90.3	Very high	12 Å²	12	56.5 Å²	56.5	10%	0.099	32%	0.316	C	S	.	.	S	Bend	trans	-69.2	145.8	178.5	0	0	0	0	0	111.5	N238 Q265 E266 W270 F271 T272	N238-A268 HydrophobicContact CB-CB 4.41Å; Q265-A268 WeakPolarHBondContact O-CB 3.36Å; Q265-A268 PolarHBondContact O-N 3.08Å; Q265-A268 VanDerWaalsContact O-N 3.1Å; E266-A268 VanDerWaalsContact C-N 3.27Å; E266-A268 PolarHBondContact O-N 3.22Å; A268-W270 VanDerWaalsContact C-N 3.29Å; A268-W270 PolarHBondContact O-N 3.15Å; A268-W270 VanDerWaalsContact O-N 3.15Å; A268-F271 WeakPolarHBondContact O-CB 3.48Å; A268-F271 PolarHBondContact O-N 3.16Å; A268-T272 PolarHBondContact O-N 2.92Å; A268-T272 VanDerWaalsContact O-N 3.12Å
269	A	92.5	Very high	90.3	Very high	53 Å²	53	58.2 Å²	58.2	44%	0.438	33%	0.325	S	S	.	.	H	α-helix	trans	-52.5	-43.6	-173.1	0	0	0	0	0	113.4	L242 F271 T272 A273	L242-A269 HydrophobicContact CD1-CB 3.92Å; L242-A269 HydrophobicContact CD2-CB 3.98Å; L242-A269 HydrophobicContact CG-CB 4.48Å; A269-F271 VanDerWaalsContact C-N 3.34Å; A269-F271 PolarHBondContact O-N 2.66Å; A269-T272 PolarHBondContact O-N 3.04Å; A269-T272 PolarHBondContact O-OG1 3.03Å; A269-A273 WeakPolarHBondContact O-CB 3.34Å; A269-A273 PolarHBondContact O-N 3.28Å
270	W	94.6	Very high	90.4	Very high	3 Å²	3	59.2 Å²	59.2	1%	0.011	33%	0.328	C	S	.	.	H	α-helix	trans	-60.4	-40.2	178.2	75.4	-93.2	0	0	0	112.9	L166 P233 N238 L241 L242 T245 L261 A268 A273 L274	L166-W270 HydrophobicContact CD2-CZ3 4.31Å; P233-W270 HydrophobicContact CG-CZ2 4.21Å; N238-W270 PolarHBondContact OD1-NE1 3.14Å; L241-W270 HydrophobicContact CB-CB 3.84Å; L241-W270 HydrophobicContact CB-CD2 3.78Å; L241-W270 HydrophobicContact CB-CE3 4.25Å; L241-W270 HydrophobicContact CB-CG 3.57Å; L241-W270 HydrophobicContact CD1-CD2 3.83Å; L241-W270 HydrophobicContact CD1-CE3 4.28Å; L241-W270 HydrophobicContact CD1-CG 4.3Å; L241-W270 HydrophobicContact CD1-CH2 4.27Å; L241-W270 HydrophobicContact CD1-CZ2 3.82Å; L241-W270 HydrophobicContact CD1-CZ3 4.48Å; L241-W270 HydrophobicContact CG-CD2 4.42Å; L242-W270 HydrophobicContact CB-CB 4.04Å; T245-W270 HydrophobicContact CG2-CB 4.07Å; L261-W270 HydrophobicContact CD1-CH2 4.21Å; L261-W270 HydrophobicContact CD1-CZ2 4.02Å; A268-W270 VanDerWaalsContact C-N 3.29Å; A268-W270 PolarHBondContact O-N 3.15Å; A268-W270 VanDerWaalsContact O-N 3.15Å; W270-A273 PolarHBondContact O-N 3.39Å; W270-L274 HydrophobicContact CE3-CD1 3.85Å; W270-L274 HydrophobicContact CZ3-CD1 3.92Å; W270-L274 WeakPolarHBondContact O-CG 2.94Å; W270-L274 PolarHBondContact O-N 3.44Å
271	F	94.2	Very high	90.6	Very high	26 Å²	26	54 Å²	54	11%	0.114	31%	0.308	C	S	.	.	H	α-helix	trans	-68.7	-45.4	-179.8	-168.5	-82.7	0	0	0	110.1	L166 L168 L261 E266 A268 A269 A273 L274 A275	L166-F271 HydrophobicContact CD1-CD2 4.11Å; L166-F271 HydrophobicContact CD1-CE2 3.69Å; L166-F271 HydrophobicContact CD1-CZ 4.17Å; L168-F271 HydrophobicContact CD1-CE2 4.04Å; L261-F271 HydrophobicContact CD1-CD2 3.67Å; L261-F271 HydrophobicContact CD1-CE2 3.68Å; E266-F271 HydrophobicContact CB-CE1 4.35Å; E266-F271 HydrophobicContact CG-CZ 4.48Å; E266-F271 WeakPolarHBondContact O-CD1 3.45Å; E266-F271 WeakPolarHBondContact O-CG 3.46Å; A268-F271 WeakPolarHBondContact O-CB 3.48Å; A268-F271 PolarHBondContact O-N 3.16Å; A269-F271 VanDerWaalsContact C-N 3.34Å; A269-F271 PolarHBondContact O-N 2.66Å; F271-A273 VanDerWaalsContact C-N 3.31Å; F271-A273 PolarHBondContact O-N 2.76Å; F271-L274 PolarHBondContact O-N 3.42Å; F271-L274 VanDerWaalsContact O-N 3.16Å; F271-A275 PolarHBondContact O-N 2.79Å; F271-A275 VanDerWaalsContact O-N 3.16Å
272	T	91.3	Very high	90.7	Very high	81 Å²	81	58.4 Å²	58.4	50%	0.497	34%	0.335	S	S	.	.	H	α-helix	trans	-64.1	-33.3	176.3	66.1	0	0	0	0	113	A268 A269 L274 A275	A268-T272 PolarHBondContact O-N 2.92Å; A268-T272 VanDerWaalsContact O-N 3.12Å; A269-T272 PolarHBondContact O-N 3.04Å; A269-T272 PolarHBondContact O-OG1 3.03Å; T272-L274 VanDerWaalsContact C-N 3.33Å; T272-A275 WeakPolarHBondContact O-CB 3.17Å; T272-A275 PolarHBondContact O-N 2.9Å
273	A	90.9	Very high	91	Very high	51 Å²	51	57 Å²	57	42%	0.421	32%	0.324	S	S	.	.	H	α-helix	trans	-67.6	-32	175.1	0	0	0	0	0	112.7	T245 A269 W270 F271	T245-A273 HydrophobicContact CG2-CB 4.39Å; A269-A273 WeakPolarHBondContact O-CB 3.34Å; A269-A273 PolarHBondContact O-N 3.28Å; W270-A273 PolarHBondContact O-N 3.39Å; F271-A273 VanDerWaalsContact C-N 3.31Å; F271-A273 PolarHBondContact O-N 2.76Å
274	L	91.3	Very high	91.2	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-79	-26	176.3	-69.7	179.5	0	0	0	113.7	A164 L166 T245 L248 L254 W270 F271 T272 N276 R277 S278	A164-L274 HydrophobicContact CB-CD1 4.44Å; A164-L274 HydrophobicContact CB-CD2 4.13Å; L166-L274 HydrophobicContact CD2-CD1 4.11Å; T245-L274 HydrophobicContact CG2-CD1 4.27Å; T245-L274 HydrophobicContact CG2-CD2 3.9Å; T245-L274 HydrophobicContact CG2-CG 3.78Å; L248-L274 HydrophobicContact CD1-CD2 3.58Å; L254-L274 HydrophobicContact CD2-CD1 4.17Å; W270-L274 HydrophobicContact CE3-CD1 3.85Å; W270-L274 HydrophobicContact CZ3-CD1 3.92Å; W270-L274 WeakPolarHBondContact O-CG 2.94Å; W270-L274 PolarHBondContact O-N 3.44Å; F271-L274 PolarHBondContact O-N 3.42Å; F271-L274 VanDerWaalsContact O-N 3.16Å; T272-L274 VanDerWaalsContact C-N 3.33Å; L274-N276 VanDerWaalsContact C-N 3.3Å; L274-N276 PolarHBondContact O-N 2.94Å; L274-R277 CarbonylContact O-C 3.54Å; L274-R277 WeakPolarHBondContact O-CA 3.41Å; L274-R277 PolarHBondContact O-N 3.1Å; L274-S278 PolarHBondContact O-N 3.31Å; L274-S278 PolarHBondContact O-OG 2.97Å
275	A	84.8	Confident	91.2	Very high	57 Å²	57	55.1 Å²	55.1	47%	0.471	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.4	-41.7	-166.4	0	0	0	0	0	116	F271 T272	F271-A275 PolarHBondContact O-N 2.79Å; F271-A275 VanDerWaalsContact O-N 3.16Å; T272-A275 WeakPolarHBondContact O-CB 3.17Å; T272-A275 PolarHBondContact O-N 2.9Å
276	N	85.3	Confident	90.9	Very high	150 Å²	150	54.8 Å²	54.8	80%	0.802	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-18.9	178.7	-75.9	-36.9	0	0	0	114.3	R162 L274	R162-N276 PolarHBondContact NH1-O 2.66Å; L274-N276 VanDerWaalsContact C-N 3.3Å; L274-N276 PolarHBondContact O-N 2.94Å
277	R	88.7	Confident	90.3	Very high	144 Å²	144	59.2 Å²	59.2	54%	0.543	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-21.6	-176.3	-67.1	-174	175.9	-167	-1.5	113.5	A163 L274	A163-R277 HydrophobicContact CB-CB 4.4Å; A163-R277 PolarHBondContact N-O 2.92Å; L274-R277 CarbonylContact O-C 3.54Å; L274-R277 WeakPolarHBondContact O-CA 3.41Å; L274-R277 PolarHBondContact O-N 3.1Å
278	S	92.1	Very high	89.3	Confident	17 Å²	17	59.8 Å²	59.8	12%	0.119	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	168.1	-175.4	61	0	0	0	0	115	A164 L274	A164-S278 CarbonylContact O-C 3.56Å; A164-S278 WeakPolarHBondContact O-CA 3.31Å; A164-S278 WeakPolarHBondContact O-CB 3.42Å; L274-S278 PolarHBondContact O-N 3.31Å; L274-S278 PolarHBondContact O-OG 2.97Å
279	V	94.2	Very high	88.4	Confident	44 Å²	44	63.8 Å²	63.8	27%	0.267	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.9	159.9	167.8	0	0	0	0	109.3	R162 A164 Y165 L166 V281	R162-V279 HydrophobicContact CB-CG2 4.33Å; R162-V279 HydrophobicContact CG-CG2 3.9Å; A164-V279 PolarHBondContact O-N 3.38Å; Y165-V279 CarbonylContact C-O 3.44Å; Y165-V279 WeakPolarHBondContact CA-O 3.36Å; Y165-V279 HydrophobicContact CD1-CB 3.96Å; Y165-V279 HydrophobicContact CD1-CG1 4.28Å; Y165-V279 HydrophobicContact CE1-CB 3.97Å; Y165-V279 HydrophobicContact CE1-CG1 4.32Å; Y165-V279 HydrophobicContact CE1-CG2 4.45Å; L166-V279 PolarHBondContact N-O 3.15Å; V279-V281 HydrophobicContact CG1-CG2 4.4Å
280	Q	94.2	Very high	88	Confident	83 Å²	83	66.6 Å²	66.6	39%	0.388	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	137	171.3	-179.6	176.3	-13	0	0	110.4	L166 L168	L166-Q280 HydrophobicContact CB-CB 4.36Å; L166-Q280 HydrophobicContact CB-CG 4.49Å; L166-Q280 CarbonylContact O-C 3.53Å; L166-Q280 WeakPolarHBondContact O-CA 3.35Å; L168-Q280 HydrophobicContact CD1-CG 4.34Å
281	V	94.6	Very high	87.7	Confident	30 Å²	30	66.6 Å²	66.6	18%	0.182	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.3	172.9	-169	0	0	0	0	108.3	L166 L167 L168 V279 C283	L166-V281 PolarHBondContact O-N 2.83Å; L167-V281 HydrophobicContact CD2-CB 3.8Å; L167-V281 HydrophobicContact CD2-CG2 3.7Å; L168-V281 PolarHBondContact N-O 3.29Å; V279-V281 HydrophobicContact CG1-CG2 4.4Å; V281-C283 PolarHBondContact O-N 3.47Å
282	T	93.9	Very high	87.5	Confident	98 Å²	98	67.3 Å²	67.3	60%	0.601	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	98.6	-178.3	-58.5	0	0	0	0	109.8	Q284	T282-Q284 VanDerWaalsContact C-N 3.32Å; T282-Q284 HydrophobicContact CG2-CB 4.3Å; T282-Q284 HydrophobicContact CG2-CG 3.69Å; T282-Q284 PolarHBondContact O-N 3.01Å
283	C	93.1	Very high	87.6	Confident	1 Å²	1	73.4 Å²	73.4	1%	0.007	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	50	-176.4	-58.8	0	0	0	0	111.1	L168 G169 N170 D171 L174 L175 V281	L168-C283 PolarHBondContact O-N 2.87Å; G169-C283 CarbonylContact C-O 3.57Å; G169-C283 VanDerWaalsContact CA-C 3.47Å; G169-C283 WeakPolarHBondContact CA-O 3.46Å; N170-C283 PolarHBondContact N-O 2.85Å; D171-C283 WeakPolarHBondContact CB-O 3.49Å; D171-C283 PolarHBondContact N-O 2.98Å; L174-C283 HydrophobicContact CB-CB 3.72Å; L174-C283 PolarHBondContact O-SG 3.2Å; L174-C283 VanDerWaalsContact O-SG 3.39Å; L175-C283 HydrophobicContact CB-CB 4.48Å; L175-C283 HydrophobicContact CD2-CB 3.56Å; L175-C283 HydrophobicContact CG-CB 3.73Å; V281-C283 PolarHBondContact O-N 3.47Å
284	Q	90.9	Very high	87.7	Confident	63 Å²	63	73.2 Å²	73.2	29%	0.294	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-83.6	137.9	177.5	-66.9	-71.8	-90.3	0	0	110.9	N170 L174 T282	N170-Q284 VanDerWaalsContact OD1-CA 3.3Å; N170-Q284 WeakPolarHBondContact OD1-CA 3.36Å; N170-Q284 PolarHBondContact OD1-NE2 3.36Å; L174-Q284 VanDerWaalsContact CD1-O 3.31Å; L174-Q284 WeakPolarHBondContact CD1-O 3.48Å; T282-Q284 VanDerWaalsContact C-N 3.32Å; T282-Q284 HydrophobicContact CG2-CB 4.3Å; T282-Q284 HydrophobicContact CG2-CG 3.69Å; T282-Q284 PolarHBondContact O-N 3.01Å
285	T	85.5	Confident	87.8	Confident	32 Å²	32	73 Å²	73	20%	0.196	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-61.9	127.8	170.2	-55.2	0	0	0	0	108.8	N170 D171 E287 L322	N170-T285 PolarHBondContact OD1-N 2.94Å; D171-T285 WeakPolarHBondContact CB-OG1 3.44Å; D171-T285 WeakPolarHBondContact OD2-CB 3.01Å; D171-T285 PolarHBondContact OD2-OG1 3.5Å; T285-E287 PolarHBondContact O-N 3.26Å; T285-L322 HydrophobicContact CG2-CG 4.37Å
286	P	84.4	Confident	88.3	Confident	23 Å²	23	72.2 Å²	72.2	15%	0.149	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-55.2	134.5	178.3	-26.9	33	0	0	0	112.7	Q290 L291 W294 L322	P286-Q290 HydrophobicContact CB-CB 4.08Å; P286-L291 HydrophobicContact CB-CB 4.44Å; P286-L291 HydrophobicContact CB-CD1 4.34Å; P286-W294 HydrophobicContact CG-CB 3.94Å; P286-W294 HydrophobicContact CG-CG 3.89Å; P286-L322 VanDerWaalsContact CD-CD1 3.47Å; P286-L322 HydrophobicContact CG-CD1 4.19Å; P286-L322 HydrophobicContact CG-CD2 4.33Å
287	E	77.1	Confident	88.6	Confident	143 Å²	143	66.8 Å²	66.8	67%	0.668	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-61.7	157.5	169.1	-63.7	179.7	170.4	0	0	110.5	T285 A289 Q290 L291	T285-E287 PolarHBondContact O-N 3.26Å; E287-A289 PolarHBondContact O-N 3.35Å; E287-Q290 CarbonylContact O-C 3.54Å; E287-Q290 WeakPolarHBondContact O-CA 3.45Å; E287-Q290 PolarHBondContact O-N 3.16Å; E287-L291 PolarHBondContact O-N 2.96Å
288	Q	69.9	Low	88.9	Confident	140 Å²	140	61.6 Å²	61.6	65%	0.654	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-37.3	-174.4	-170.5	178.4	72.4	0	0	113.8	Q290 P292 E319	Q288-Q290 VanDerWaalsContact C-N 3.32Å; Q288-Q290 PolarHBondContact O-N 3.37Å; Q288-P292 WeakPolarHBondContact O-CD 3.09Å; Q288-E319 WeakPolarHBondContact CG-OE1 3.45Å; Q288-E319 PolarHBondContact NE2-OE1 3.44Å
289	A	73.4	Confident	89	Confident	96 Å²	96	60.8 Å²	60.8	79%	0.793	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-17.2	176.6	0	0	0	0	0	114.8	E287	E287-A289 PolarHBondContact O-N 3.35Å
290	Q	84.6	Confident	88.9	Confident	112 Å²	112	66.6 Å²	66.6	52%	0.523	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-20.8	178.8	-58.2	-174	27.8	0	0	112.4	P286 E287 Q288 R293 W294	P286-Q290 HydrophobicContact CB-CB 4.08Å; E287-Q290 CarbonylContact O-C 3.54Å; E287-Q290 WeakPolarHBondContact O-CA 3.45Å; E287-Q290 PolarHBondContact O-N 3.16Å; Q288-Q290 VanDerWaalsContact C-N 3.32Å; Q288-Q290 PolarHBondContact O-N 3.37Å; Q290-R293 WeakPolarHBondContact O-CB 3.48Å; Q290-R293 PolarHBondContact O-N 2.99Å; Q290-R293 VanDerWaalsContact O-N 3.15Å; Q290-W294 PolarHBondContact O-N 2.62Å
291	L	86.6	Confident	88.8	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-56.9	-47.3	-176.3	-172.9	64.7	0	0	0	113.6	P286 E287 R293 W294 V295 C315 L322 L325	P286-L291 HydrophobicContact CB-CB 4.44Å; P286-L291 HydrophobicContact CB-CD1 4.34Å; E287-L291 PolarHBondContact O-N 2.96Å; L291-R293 PolarHBondContact O-N 2.67Å; L291-W294 WeakPolarHBondContact O-CB 3.39Å; L291-W294 PolarHBondContact O-N 2.87Å; L291-V295 WeakPolarHBondContact O-CG2 3.39Å; L291-V295 PolarHBondContact O-N 3.21Å; L291-C315 HydrophobicContact CD2-CB 4.09Å; L291-C315 HydrophobicContact CG-CB 4.34Å; L291-L322 HydrophobicContact CD1-CD2 3.5Å; L291-L325 HydrophobicContact CD1-CD1 3.75Å; L291-L325 HydrophobicContact CD2-CD1 4.47Å; L291-L325 HydrophobicContact CG-CD1 4.35Å
292	P	90.8	Very high	88.7	Confident	41 Å²	41	68 Å²	68	27%	0.266	35%	0.349	S	S	.	.	H	α-helix	trans	-62.5	-31.1	177.6	-22.1	33.5	0	0	0	113.4	Q288 A296 N311 C315	Q288-P292 WeakPolarHBondContact O-CD 3.09Å; P292-A296 VanDerWaalsContact O-CB 3.31Å; P292-A296 WeakPolarHBondContact O-CB 3.22Å; P292-A296 PolarHBondContact O-N 3.19Å; P292-N311 PolarHBondContact O-ND2 2.88Å; P292-N311 PolarHBondContact O-OD1 2.96Å; P292-C315 VanDerWaalsContact CA-SG 3.51Å
293	R	92.4	Very high	88.6	Confident	209 Å²	209	70.4 Å²	70.4	79%	0.789	36%	0.358	S	S	*	.	H	α-helix	trans	-72	-35.3	175.5	-175.8	178.2	177.4	178.3	0.4	111.7	Q290 L291 A297	Q290-R293 WeakPolarHBondContact O-CB 3.48Å; Q290-R293 PolarHBondContact O-N 2.99Å; Q290-R293 VanDerWaalsContact O-N 3.15Å; L291-R293 PolarHBondContact O-N 2.67Å; R293-A297 VanDerWaalsContact O-CB 3.27Å; R293-A297 WeakPolarHBondContact O-CB 3.28Å; R293-A297 PolarHBondContact O-N 3.25Å
294	W	94.1	Very high	88.7	Confident	46 Å²	46	71 Å²	71	17%	0.174	36%	0.361	C	S	.	.	H	α-helix	trans	-66.6	-47	172.8	-175.4	95.9	0	0	0	111	L173 L174 P286 Q290 L291 A297 R298 L322 L325 A326	L173-W294 HydrophobicContact CD2-CH2 3.85Å; L173-W294 HydrophobicContact CD2-CZ2 3.94Å; L174-W294 HydrophobicContact CD2-CZ2 4.35Å; P286-W294 HydrophobicContact CG-CB 3.94Å; P286-W294 HydrophobicContact CG-CG 3.89Å; Q290-W294 PolarHBondContact O-N 2.62Å; L291-W294 WeakPolarHBondContact O-CB 3.39Å; L291-W294 PolarHBondContact O-N 2.87Å; W294-A297 PolarHBondContact O-N 3.38Å; W294-R298 HydrophobicContact CE3-CB 4.4Å; W294-R298 HydrophobicContact CH2-CB 4.37Å; W294-R298 HydrophobicContact CH2-CG 4.13Å; W294-R298 HydrophobicContact CZ3-CB 4.23Å; W294-R298 HydrophobicContact CZ3-CG 4.33Å; W294-R298 WeakPolarHBondContact O-CB 3.44Å; W294-R298 PolarHBondContact O-N 3.23Å; W294-L322 HydrophobicContact CD2-CD1 4.27Å; W294-L322 HydrophobicContact CD2-CD2 3.95Å; W294-L322 HydrophobicContact CE3-CD2 3.74Å; W294-L322 HydrophobicContact CH2-CB 3.97Å; W294-L322 HydrophobicContact CH2-CD1 4.35Å; W294-L322 HydrophobicContact CH2-CD2 4.17Å; W294-L322 HydrophobicContact CH2-CG 4.39Å; W294-L322 HydrophobicContact CZ2-CB 4.2Å; W294-L322 HydrophobicContact CZ2-CD1 3.83Å; W294-L322 HydrophobicContact CZ2-CD2 4.36Å; W294-L322 HydrophobicContact CZ2-CG 4.36Å; W294-L322 HydrophobicContact CZ3-CB 4.39Å; W294-L322 HydrophobicContact CZ3-CD2 3.86Å; W294-L325 HydrophobicContact CZ3-CB 4.03Å; W294-A326 HydrophobicContact CH2-CB 4.49Å
295	V	93.6	Very high	88.8	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-61.7	-46.7	178.6	176.2	0	0	0	0	111.2	L291 A297 R298 A299 L306 N311 L314 L325 L329	L291-V295 WeakPolarHBondContact O-CG2 3.39Å; L291-V295 PolarHBondContact O-N 3.21Å; V295-A297 PolarHBondContact O-N 2.87Å; V295-R298 PolarHBondContact O-N 2.81Å; V295-A299 WeakPolarHBondContact O-CB 3.22Å; V295-A299 PolarHBondContact O-N 3.29Å; V295-L306 HydrophobicContact CG1-CD2 3.81Å; V295-N311 VanDerWaalsContact CB-OD1 3.31Å; V295-N311 WeakPolarHBondContact CB-OD1 3.24Å; V295-N311 VanDerWaalsContact CG1-OD1 3.31Å; V295-N311 WeakPolarHBondContact CG1-OD1 3.24Å; V295-L314 HydrophobicContact CG1-CD1 4.35Å; V295-L325 HydrophobicContact CG2-CD1 3.86Å; V295-L325 HydrophobicContact CG2-CD2 3.88Å; V295-L325 HydrophobicContact CG2-CG 4.34Å; V295-L329 HydrophobicContact CG1-CD1 4.28Å
296	A	93.9	Very high	89.2	Confident	40 Å²	40	73.5 Å²	73.5	33%	0.331	37%	0.371	S	S	.	.	H	α-helix	trans	-61.5	-40.6	175.1	0	0	0	0	0	112.9	P292 K300	P292-A296 VanDerWaalsContact O-CB 3.31Å; P292-A296 WeakPolarHBondContact O-CB 3.22Å; P292-A296 PolarHBondContact O-N 3.19Å; A296-K300 WeakPolarHBondContact O-CB 3.32Å; A296-K300 PolarHBondContact O-N 3.04Å
297	A	93.3	Very high	89.5	Confident	37 Å²	37	75.7 Å²	75.7	31%	0.306	38%	0.382	S	S	.	.	H	α-helix	trans	-65.6	-38.7	176	0	0	0	0	0	112.2	R293 W294 V295 Q301	R293-A297 VanDerWaalsContact O-CB 3.27Å; R293-A297 WeakPolarHBondContact O-CB 3.28Å; R293-A297 PolarHBondContact O-N 3.25Å; W294-A297 PolarHBondContact O-N 3.38Å; V295-A297 PolarHBondContact O-N 2.87Å; A297-Q301 WeakPolarHBondContact O-CG 3.4Å; A297-Q301 PolarHBondContact O-N 3.1Å; A297-Q301 VanDerWaalsContact O-N 3.09Å
298	R	93.6	Very high	90.1	Very high	34 Å²	34	74.8 Å²	74.8	13%	0.128	38%	0.381	C	S	.	.	H	α-helix	trans	-72.8	-38.2	177.6	-174	56.1	172.2	-120.5	-4.5	112.4	E177 W294 V295 K300 Q301 L302 L329	E177-R298 IonicContact OE1-CZ 3.68Å; E177-R298 IonicContact OE1-NH1 3.24Å; E177-R298 PolarHBondContact OE1-NH1 3.48Å; E177-R298 IonicContact OE1-NH2 3.73Å; E177-R298 PolarHBondContact OE1-NH2 2.92Å; E177-R298 IonicContact OE2-CZ 2.62Å; E177-R298 IonicContact OE2-NH1 3.54Å; E177-R298 PolarHBondContact OE2-NH1 2.95Å; W294-R298 HydrophobicContact CE3-CB 4.4Å; W294-R298 HydrophobicContact CH2-CB 4.37Å; W294-R298 HydrophobicContact CH2-CG 4.13Å; W294-R298 HydrophobicContact CZ3-CB 4.23Å; W294-R298 HydrophobicContact CZ3-CG 4.33Å; W294-R298 WeakPolarHBondContact O-CB 3.44Å; W294-R298 PolarHBondContact O-N 3.23Å; V295-R298 PolarHBondContact O-N 2.81Å; R298-K300 VanDerWaalsContact C-N 3.35Å; R298-Q301 WeakPolarHBondContact O-CB 3.41Å; R298-Q301 PolarHBondContact O-N 3.19Å; R298-L302 PolarHBondContact O-N 2.89Å; R298-L329 HydrophobicContact CB-CD1 4Å; R298-L329 HydrophobicContact CG-CD1 3.86Å
299	A	94.4	Very high	90.8	Very high	1 Å²	1	70 Å²	70	1%	0.008	37%	0.366	C	S	.	.	H	α-helix	trans	-59.6	-46.4	171.9	0	0	0	0	0	110.7	V295 Q301 L302 N303 L304 L306 L329	V295-A299 WeakPolarHBondContact O-CB 3.22Å; V295-A299 PolarHBondContact O-N 3.29Å; A299-Q301 VanDerWaalsContact C-N 3.31Å; A299-Q301 PolarHBondContact O-N 2.84Å; A299-L302 CarbonylContact O-C 3.59Å; A299-L302 WeakPolarHBondContact O-CA 3.49Å; A299-L302 PolarHBondContact O-N 2.86Å; A299-N303 PolarHBondContact O-N 3.02Å; A299-L304 HydrophobicContact CB-CB 4.15Å; A299-L304 WeakPolarHBondContact O-CB 3.5Å; A299-L304 PolarHBondContact O-N 3.35Å; A299-L306 HydrophobicContact CB-CB 4.05Å; A299-L306 HydrophobicContact CB-CD2 3.96Å; A299-L329 HydrophobicContact CB-CD1 4.26Å; A299-L329 HydrophobicContact CB-CD2 3.95Å
300	K	93.4	Very high	91.7	Very high	165 Å²	165	65.5 Å²	65.5	72%	0.717	33%	0.329	S	S	*	.	H	α-helix	trans	-63.6	-31.3	175.9	-172	166	-175.6	166.4	0	113.8	A296 R298 L302 N303	A296-K300 WeakPolarHBondContact O-CB 3.32Å; A296-K300 PolarHBondContact O-N 3.04Å; R298-K300 VanDerWaalsContact C-N 3.35Å; K300-L302 PolarHBondContact O-N 2.85Å; K300-N303 PolarHBondContact O-N 2.81Å
301	Q	91.1	Very high	92	Very high	89 Å²	89	60.3 Å²	60.3	42%	0.416	31%	0.305	S	S	.	.	H	α-helix	trans	-68.3	-22.7	171.9	-75.4	171.7	-8.4	0	0	113.2	T151 A297 R298 A299	T151-Q301 HydrophobicContact CG2-CG 4.42Å; A297-Q301 WeakPolarHBondContact O-CG 3.4Å; A297-Q301 PolarHBondContact O-N 3.1Å; A297-Q301 VanDerWaalsContact O-N 3.09Å; R298-Q301 WeakPolarHBondContact O-CB 3.41Å; R298-Q301 PolarHBondContact O-N 3.19Å; A299-Q301 VanDerWaalsContact C-N 3.31Å; A299-Q301 PolarHBondContact O-N 2.84Å
302	L	92.2	Very high	92	Very high	54 Å²	54	66.1 Å²	66.1	28%	0.283	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	12.4	174.8	-67.6	168.3	0	0	0	112.7	R298 A299 K300 L304 L329 E330	R298-L302 PolarHBondContact O-N 2.89Å; A299-L302 CarbonylContact O-C 3.59Å; A299-L302 WeakPolarHBondContact O-CA 3.49Å; A299-L302 PolarHBondContact O-N 2.86Å; K300-L302 PolarHBondContact O-N 2.85Å; L302-L304 VanDerWaalsContact C-N 3.31Å; L302-L304 HydrophobicContact CB-CD1 3.67Å; L302-L304 HydrophobicContact CB-CG 3.85Å; L302-L304 HydrophobicContact CD1-CD1 4.1Å; L302-L304 PolarHBondContact O-N 2.79Å; L302-L329 HydrophobicContact CD1-CB 3.75Å; L302-E330 HydrophobicContact CD1-CG 4.07Å; L302-E330 HydrophobicContact CD2-CG 4.35Å
303	N	92.9	Very high	91.7	Very high	148 Å²	148	65.5 Å²	65.5	79%	0.791	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	35.6	-174	-61.3	-32.7	0	0	0	114.3	A299 K300	A299-N303 PolarHBondContact O-N 3.02Å; K300-N303 PolarHBondContact O-N 2.81Å
304	L	93.7	Very high	91.4	Very high	14 Å²	14	55.6 Å²	55.6	7%	0.073	29%	0.29	C	S	.	.			trans	-100.8	135.3	-179.1	-54.5	168.5	0	0	0	112.1	A299 L302 L329 G339 L341	A299-L304 HydrophobicContact CB-CB 4.15Å; A299-L304 WeakPolarHBondContact O-CB 3.5Å; A299-L304 PolarHBondContact O-N 3.35Å; L302-L304 VanDerWaalsContact C-N 3.31Å; L302-L304 HydrophobicContact CB-CD1 3.67Å; L302-L304 HydrophobicContact CB-CG 3.85Å; L302-L304 HydrophobicContact CD1-CD1 4.1Å; L302-L304 PolarHBondContact O-N 2.79Å; L304-L329 HydrophobicContact CD1-CB 4.29Å; L304-L329 HydrophobicContact CD1-CD2 4.36Å; L304-G339 CarbonylContact C-O 3.53Å; L304-G339 WeakPolarHBondContact CA-O 3.12Å; L304-L341 HydrophobicContact CB-CD1 4.17Å; L304-L341 HydrophobicContact CD1-CD1 3.81Å; L304-L341 HydrophobicContact CD2-CD1 4.31Å; L304-L341 HydrophobicContact CG-CD1 4.3Å
305	E	93.3	Very high	91	Very high	118 Å²	118	54 Å²	54	55%	0.551	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	100.3	167.2	-67.6	-179.8	-176	0	0	108	G339 K340 L341	E305-G339 PolarHBondContact N-O 2.91Å; E305-K340 HydrophobicContact CB-CG 4.41Å; E305-K340 IonicContact OE1-NZ 3.05Å; E305-K340 IonicContact OE2-NZ 2.73Å; E305-K340 PolarHBondContact OE2-NZ 3Å; E305-L341 PolarHBondContact O-N 2.86Å
306	L	94.5	Very high	90	Very high	29 Å²	29	60.3 Å²	60.3	15%	0.152	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.8	-176.8	178.1	69.2	0	0	0	110.7	V295 A299 A310 N311 L314 L329 L341 V346	V295-L306 HydrophobicContact CG1-CD2 3.81Å; A299-L306 HydrophobicContact CB-CB 4.05Å; A299-L306 HydrophobicContact CB-CD2 3.96Å; L306-A310 HydrophobicContact CD1-CB 3.67Å; L306-N311 HydrophobicContact CD2-CB 3.84Å; L306-N311 HydrophobicContact CG-CB 4.12Å; L306-L314 HydrophobicContact CD1-CD1 3.97Å; L306-L314 HydrophobicContact CD2-CD1 4.2Å; L306-L329 HydrophobicContact CD2-CD2 4.29Å; L306-L341 HydrophobicContact CB-CB 4.42Å; L306-L341 HydrophobicContact CD1-CB 3.61Å; L306-L341 HydrophobicContact CD1-CD1 4.27Å; L306-V346 HydrophobicContact CD1-CG2 4.24Å
307	D	90.9	Very high	88.9	Confident	69 Å²	69	59.4 Å²	59.4	37%	0.369	30%	0.301	S	S	.	.			trans	-62.5	144.7	175.5	-70.2	-0	0	0	0	111.1	A309 A310 N311 L341 T342 L343	D307-A309 PolarHBondContact O-N 3.23Å; D307-A310 HydrophobicContact CB-CB 3.92Å; D307-A310 WeakPolarHBondContact O-CB 3.27Å; D307-A310 PolarHBondContact O-N 2.87Å; D307-A310 VanDerWaalsContact O-N 3.08Å; D307-N311 WeakPolarHBondContact O-CB 3.23Å; D307-N311 PolarHBondContact O-N 2.68Å; D307-L341 PolarHBondContact N-O 2.79Å; D307-L341 VanDerWaalsContact N-O 3.15Å; D307-T342 WeakPolarHBondContact OD2-CA 3.22Å; D307-T342 WeakPolarHBondContact OD2-CB 3.35Å; D307-L343 PolarHBondContact OD2-N 2.84Å
308	D	89.4	Confident	88.1	Confident	124 Å²	124	58 Å²	58	66%	0.663	29%	0.288	S	S	*	.	H	α-helix	trans	-61.1	-30.9	177	-77.5	-48	0	0	0	113.2	N311 Q312	D308-N311 WeakPolarHBondContact O-CB 3.33Å; D308-Q312 WeakPolarHBondContact O-CG 3.37Å; D308-Q312 PolarHBondContact O-N 3.02Å; D308-Q312 VanDerWaalsContact O-N 3.12Å
309	A	85.4	Confident	86.8	Confident	41 Å²	41	59.8 Å²	59.8	34%	0.339	30%	0.298	S	S	.	.	H	α-helix	trans	-71.8	-42.1	173.5	0	0	0	0	0	111.9	D307 N311 Q312 V313 L343	D307-A309 PolarHBondContact O-N 3.23Å; A309-N311 VanDerWaalsContact C-N 3.28Å; A309-N311 PolarHBondContact O-N 3.28Å; A309-Q312 WeakPolarHBondContact O-CB 3.5Å; A309-Q312 PolarHBondContact O-N 3.41Å; A309-V313 PolarHBondContact O-N 3.26Å; A309-V313 VanDerWaalsContact O-N 3.07Å; A309-L343 HydrophobicContact CB-CB 4.21Å; A309-L343 HydrophobicContact CB-CD1 3.99Å; A309-L343 HydrophobicContact CB-CD2 3.97Å; A309-L343 HydrophobicContact CB-CG 4.28Å
310	A	91	Very high	85.3	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.3	-37.8	174.3	0	0	0	0	0	112	L306 D307 V313 L314 L341 V346	L306-A310 HydrophobicContact CD1-CB 3.67Å; D307-A310 HydrophobicContact CB-CB 3.92Å; D307-A310 WeakPolarHBondContact O-CB 3.27Å; D307-A310 PolarHBondContact O-N 2.87Å; D307-A310 VanDerWaalsContact O-N 3.08Å; A310-V313 PolarHBondContact O-N 2.88Å; A310-L314 PolarHBondContact O-N 3.03Å; A310-L341 WeakPolarHBondContact CB-O 3.4Å; A310-V346 HydrophobicContact CB-CB 3.83Å; A310-V346 HydrophobicContact CB-CG1 4.14Å; A310-V346 HydrophobicContact CB-CG2 3.81Å
311	N	92.4	Very high	84.5	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-60.7	-43.8	173.2	-172.1	5.1	0	0	0	111.8	P292 V295 L306 D307 D308 A309 L314 C315	P292-N311 PolarHBondContact O-ND2 2.88Å; P292-N311 PolarHBondContact O-OD1 2.96Å; V295-N311 VanDerWaalsContact CB-OD1 3.31Å; V295-N311 WeakPolarHBondContact CB-OD1 3.24Å; V295-N311 VanDerWaalsContact CG1-OD1 3.31Å; V295-N311 WeakPolarHBondContact CG1-OD1 3.24Å; L306-N311 HydrophobicContact CD2-CB 3.84Å; L306-N311 HydrophobicContact CG-CB 4.12Å; D307-N311 WeakPolarHBondContact O-CB 3.23Å; D307-N311 PolarHBondContact O-N 2.68Å; D308-N311 WeakPolarHBondContact O-CB 3.33Å; A309-N311 VanDerWaalsContact C-N 3.28Å; A309-N311 PolarHBondContact O-N 3.28Å; N311-L314 PolarHBondContact O-N 3.34Å; N311-C315 WeakPolarHBondContact O-CB 3.41Å; N311-C315 PolarHBondContact O-N 2.67Å; N311-C315 PolarHBondContact O-SG 3.5Å; N311-C315 PolarHBondContact OD1-SG 2.93Å
312	Q	86.5	Confident	84.3	Confident	125 Å²	125	52.6 Å²	52.6	58%	0.584	28%	0.282	S	S	*	.	H	α-helix	trans	-62.6	-43.3	175.1	-72.3	172.4	41.2	0	0	112.4	D308 A309 C315 Y316	D308-Q312 WeakPolarHBondContact O-CG 3.37Å; D308-Q312 PolarHBondContact O-N 3.02Å; D308-Q312 VanDerWaalsContact O-N 3.12Å; A309-Q312 WeakPolarHBondContact O-CB 3.5Å; A309-Q312 PolarHBondContact O-N 3.41Å; Q312-C315 PolarHBondContact O-N 3.5Å; Q312-Y316 WeakPolarHBondContact O-CB 3.37Å; Q312-Y316 PolarHBondContact O-N 2.93Å
313	V	83.1	Confident	83.9	Confident	29 Å²	29	53.1 Å²	53.1	18%	0.176	29%	0.285	C	S	.	.	H	α-helix	trans	-59.3	-47.2	175	171.4	0	0	0	0	111.1	A309 A310 C315 Y316 C317 L343 V346 E347 V350	A309-V313 PolarHBondContact O-N 3.26Å; A309-V313 VanDerWaalsContact O-N 3.07Å; A310-V313 PolarHBondContact O-N 2.88Å; V313-C315 PolarHBondContact O-N 2.96Å; V313-Y316 PolarHBondContact O-N 2.88Å; V313-C317 WeakPolarHBondContact O-CB 3.46Å; V313-C317 PolarHBondContact O-N 2.85Å; V313-C317 PolarHBondContact O-SG 3Å; V313-L343 HydrophobicContact CG2-CD1 3.68Å; V313-V346 HydrophobicContact CG1-CG1 4.47Å; V313-E347 HydrophobicContact CG1-CG 4.13Å; V313-E347 HydrophobicContact CG2-CG 4.01Å; V313-V350 HydrophobicContact CG1-CB 4.4Å; V313-V350 HydrophobicContact CG1-CG1 4.13Å
314	L	87.2	Confident	83.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-47.1	175.7	-75.3	170.6	0	0	0	112.3	V295 L306 A310 N311 Y316 C317 Y318 L325 A328 L329 L332 V346 V350	V295-L314 HydrophobicContact CG1-CD1 4.35Å; L306-L314 HydrophobicContact CD1-CD1 3.97Å; L306-L314 HydrophobicContact CD2-CD1 4.2Å; A310-L314 PolarHBondContact O-N 3.03Å; N311-L314 PolarHBondContact O-N 3.34Å; L314-Y316 VanDerWaalsContact C-N 3.3Å; L314-Y316 PolarHBondContact O-N 2.59Å; L314-C317 PolarHBondContact O-N 2.76Å; L314-Y318 HydrophobicContact CD2-CD2 4.08Å; L314-Y318 HydrophobicContact CD2-CE2 3.81Å; L314-Y318 WeakPolarHBondContact O-CD2 3.27Å; L314-Y318 PolarHBondContact O-N 2.87Å; L314-Y318 VanDerWaalsContact O-N 3.16Å; L314-L325 HydrophobicContact CB-CD2 3.96Å; L314-L325 WeakPolarHBondContact O-CD2 3.22Å; L314-A328 HydrophobicContact CD2-CB 4.06Å; L314-L329 HydrophobicContact CD1-CD2 3.96Å; L314-L332 HydrophobicContact CD1-CD1 4.04Å; L314-L332 HydrophobicContact CD2-CD1 4.09Å; L314-V346 HydrophobicContact CD1-CG1 4.12Å; L314-V346 HydrophobicContact CD2-CG1 4.06Å; L314-V346 HydrophobicContact CG-CG1 3.71Å; L314-V350 HydrophobicContact CD2-CG2 3.68Å
315	C	84.6	Confident	83.1	Confident	12 Å²	12	46.1 Å²	46.1	8%	0.081	25%	0.249	C	C	.	.	H	α-helix	trans	-60.4	-38.7	179.5	-70	0	0	0	0	112.5	L291 P292 N311 Q312 V313 E319	L291-C315 HydrophobicContact CD2-CB 4.09Å; L291-C315 HydrophobicContact CG-CB 4.34Å; P292-C315 VanDerWaalsContact CA-SG 3.51Å; N311-C315 WeakPolarHBondContact O-CB 3.41Å; N311-C315 PolarHBondContact O-N 2.67Å; N311-C315 PolarHBondContact O-SG 3.5Å; N311-C315 PolarHBondContact OD1-SG 2.93Å; Q312-C315 PolarHBondContact O-N 3.5Å; V313-C315 PolarHBondContact O-N 2.96Å; C315-E319 VanDerWaalsContact O-CA 3.29Å; C315-E319 WeakPolarHBondContact O-CA 3.17Å; C315-E319 WeakPolarHBondContact O-CB 3.24Å; C315-E319 PolarHBondContact O-N 3.13Å
316	Y	74.1	Confident	82.9	Confident	133 Å²	133	40.6 Å²	40.6	52%	0.522	22%	0.224	S	C	.	.	H	α-helix	trans	-74.5	-41.4	179.1	174.2	-104.1	0	0	0	112.9	Q312 V313 L314 Y318 R372	Q312-Y316 WeakPolarHBondContact O-CB 3.37Å; Q312-Y316 PolarHBondContact O-N 2.93Å; V313-Y316 PolarHBondContact O-N 2.88Å; L314-Y316 VanDerWaalsContact C-N 3.3Å; L314-Y316 PolarHBondContact O-N 2.59Å; Y316-Y318 VanDerWaalsContact C-N 3.33Å; Y316-Y318 PolarHBondContact O-N 3.03Å; Y316-R372 PolarHBondContact OH-NH2 2.85Å
317	C	70.8	Confident	82.6	Confident	21 Å²	21	44.2 Å²	44.2	14%	0.142	24%	0.24	C	C	.	.	H	α-helix	trans	-78.3	-12.9	-177.2	-71.1	0	0	0	0	114.8	V313 L314 V350 A354 H355	V313-C317 WeakPolarHBondContact O-CB 3.46Å; V313-C317 PolarHBondContact O-N 2.85Å; V313-C317 PolarHBondContact O-SG 3Å; L314-C317 PolarHBondContact O-N 2.76Å; C317-V350 HydrophobicContact CB-CG1 3.42Å; C317-V350 VanDerWaalsContact CB-CG1 3.42Å; C317-V350 WeakPolarHBondContact SG-CG1 3.23Å; C317-A354 HydrophobicContact CB-CB 4.44Å; C317-H355 PolarHBondContact O-N 3.33Å
318	Y	74.7	Confident	82.4	Confident	7 Å²	7	41 Å²	41	3%	0.027	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.4	28.9	179.8	-56.8	-70.2	0	0	0	112.4	L314 Y316 G320 N321 A324 L325 A328 V350 A353 H355	L314-Y318 HydrophobicContact CD2-CD2 4.08Å; L314-Y318 HydrophobicContact CD2-CE2 3.81Å; L314-Y318 WeakPolarHBondContact O-CD2 3.27Å; L314-Y318 PolarHBondContact O-N 2.87Å; L314-Y318 VanDerWaalsContact O-N 3.16Å; Y316-Y318 VanDerWaalsContact C-N 3.33Å; Y316-Y318 PolarHBondContact O-N 3.03Å; Y318-G320 PolarHBondContact O-N 2.85Å; Y318-N321 PolarHBondContact O-N 2.89Å; Y318-A324 HydrophobicContact CD1-CB 3.63Å; Y318-A324 HydrophobicContact CE1-CB 4.24Å; Y318-A324 HydrophobicContact CG-CB 4.22Å; Y318-L325 HydrophobicContact CD2-CD2 4.01Å; Y318-L325 HydrophobicContact CG-CD2 4.34Å; Y318-L325 HydrophobicContact CG-CG 4.48Å; Y318-A328 HydrophobicContact CD2-CB 4.33Å; Y318-A328 HydrophobicContact CE2-CB 3.73Å; Y318-V350 HydrophobicContact CE2-CG1 4.31Å; Y318-V350 HydrophobicContact CE2-CG2 4.21Å; Y318-A353 WeakPolarHBondContact CE1-O 3.49Å; Y318-A353 WeakPolarHBondContact OH-CB 3.47Å; Y318-A353 PolarHBondContact OH-O 3.17Å; Y318-H355 HydrophobicContact CD1-CB 4.47Å
319	E	68.2	Low	82.6	Confident	73 Å²	73	35 Å²	35	34%	0.341	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	130.7	-176.8	-173.4	162	-148.6	0	0	111.9	Q288 C315 N321	Q288-E319 WeakPolarHBondContact CG-OE1 3.45Å; Q288-E319 PolarHBondContact NE2-OE1 3.44Å; C315-E319 VanDerWaalsContact O-CA 3.29Å; C315-E319 WeakPolarHBondContact O-CA 3.17Å; C315-E319 WeakPolarHBondContact O-CB 3.24Å; C315-E319 PolarHBondContact O-N 3.13Å; E319-N321 PolarHBondContact O-N 2.89Å
320	G	62.7	Low	82.8	Confident	51 Å²	51	35.8 Å²	35.8	53%	0.526	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	-0.1	-177.9	0	0	0	0	0	116.1	Y318	Y318-G320 PolarHBondContact O-N 2.85Å
321	N	76.2	Confident	82.8	Confident	51 Å²	51	40.3 Å²	40.3	27%	0.273	21%	0.205	S	C	.	.			trans	-121.5	80.6	-178.6	-168.3	-20.1	0	0	0	112.2	Y318 E319 L323 A324 L325	Y318-N321 PolarHBondContact O-N 2.89Å; E319-N321 PolarHBondContact O-N 2.89Å; N321-L323 PolarHBondContact O-N 2.91Å; N321-L323 PolarHBondContact OD1-N 2.65Å; N321-A324 HydrophobicContact CB-CB 4.08Å; N321-A324 PolarHBondContact O-N 3.46Å; N321-A324 VanDerWaalsContact O-N 3.12Å; N321-A324 PolarHBondContact OD1-N 2.77Å; N321-L325 PolarHBondContact O-N 2.92Å; N321-L325 VanDerWaalsContact O-N 3.08Å
322	L	86.3	Confident	82.7	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-30.6	179.1	-63.2	-168.6	0	0	0	113.6	D171 L173 L174 T285 P286 L291 W294 L325 A326	D171-L322 VanDerWaalsContact OD2-CD1 3.24Å; D171-L322 WeakPolarHBondContact OD2-CD1 3.4Å; D171-L322 VanDerWaalsContact OD2-CG 3.24Å; D171-L322 WeakPolarHBondContact OD2-CG 3.39Å; L173-L322 HydrophobicContact CB-CB 4.3Å; L173-L322 HydrophobicContact CD2-CB 4.02Å; L174-L322 HydrophobicContact CD1-CD1 3.85Å; L174-L322 HydrophobicContact CD2-CD1 4.21Å; L174-L322 HydrophobicContact CG-CD1 3.87Å; T285-L322 HydrophobicContact CG2-CG 4.37Å; P286-L322 VanDerWaalsContact CD-CD1 3.47Å; P286-L322 HydrophobicContact CG-CD1 4.19Å; P286-L322 HydrophobicContact CG-CD2 4.33Å; L291-L322 HydrophobicContact CD1-CD2 3.5Å; W294-L322 HydrophobicContact CD2-CD1 4.27Å; W294-L322 HydrophobicContact CD2-CD2 3.95Å; W294-L322 HydrophobicContact CE3-CD2 3.74Å; W294-L322 HydrophobicContact CH2-CB 3.97Å; W294-L322 HydrophobicContact CH2-CD1 4.35Å; W294-L322 HydrophobicContact CH2-CD2 4.17Å; W294-L322 HydrophobicContact CH2-CG 4.39Å; W294-L322 HydrophobicContact CZ2-CB 4.2Å; W294-L322 HydrophobicContact CZ2-CD1 3.83Å; W294-L322 HydrophobicContact CZ2-CD2 4.36Å; W294-L322 HydrophobicContact CZ2-CG 4.36Å; W294-L322 HydrophobicContact CZ3-CB 4.39Å; W294-L322 HydrophobicContact CZ3-CD2 3.86Å; L322-L325 HydrophobicContact CD2-CD1 3.93Å; L322-L325 PolarHBondContact O-N 2.89Å; L322-A326 WeakPolarHBondContact O-CB 3.22Å; L322-A326 PolarHBondContact O-N 2.88Å
323	L	83.3	Confident	83	Confident	66 Å²	66	35.6 Å²	35.6	35%	0.346	19%	0.185	S	C	.	.	H	α-helix	trans	-63.8	-43.2	176.2	179.5	63.1	0	0	0	111	L173 N321 Q327	L173-L323 HydrophobicContact CB-CB 4.4Å; L173-L323 HydrophobicContact CD1-CD1 3.96Å; N321-L323 PolarHBondContact O-N 2.91Å; N321-L323 PolarHBondContact OD1-N 2.65Å; L323-Q327 WeakPolarHBondContact O-CB 3.31Å; L323-Q327 VanDerWaalsContact O-CG 3.27Å; L323-Q327 WeakPolarHBondContact O-CG 3.48Å; L323-Q327 PolarHBondContact O-N 3.31Å
324	A	80.6	Confident	83.3	Confident	14 Å²	14	39.3 Å²	39.3	12%	0.116	20%	0.204	C	C	.	.	H	α-helix	trans	-66.8	-38.7	174.7	0	0	0	0	0	111.9	Y318 N321 Q327 A328	Y318-A324 HydrophobicContact CD1-CB 3.63Å; Y318-A324 HydrophobicContact CE1-CB 4.24Å; Y318-A324 HydrophobicContact CG-CB 4.22Å; N321-A324 HydrophobicContact CB-CB 4.08Å; N321-A324 PolarHBondContact O-N 3.46Å; N321-A324 VanDerWaalsContact O-N 3.12Å; N321-A324 PolarHBondContact OD1-N 2.77Å; A324-Q327 CarbonylContact O-C 3.52Å; A324-Q327 PolarHBondContact O-N 2.83Å; A324-A328 VanDerWaalsContact O-CB 3.3Å; A324-A328 WeakPolarHBondContact O-CB 3.44Å; A324-A328 PolarHBondContact O-N 3.18Å
325	L	89	Confident	83.4	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.4	-46.2	174.4	-77.4	163.8	0	0	0	112.9	L291 W294 V295 L314 Y318 N321 L322 A328 L329	L291-L325 HydrophobicContact CD1-CD1 3.75Å; L291-L325 HydrophobicContact CD2-CD1 4.47Å; L291-L325 HydrophobicContact CG-CD1 4.35Å; W294-L325 HydrophobicContact CZ3-CB 4.03Å; V295-L325 HydrophobicContact CG2-CD1 3.86Å; V295-L325 HydrophobicContact CG2-CD2 3.88Å; V295-L325 HydrophobicContact CG2-CG 4.34Å; L314-L325 HydrophobicContact CB-CD2 3.96Å; L314-L325 WeakPolarHBondContact O-CD2 3.22Å; Y318-L325 HydrophobicContact CD2-CD2 4.01Å; Y318-L325 HydrophobicContact CG-CD2 4.34Å; Y318-L325 HydrophobicContact CG-CG 4.48Å; N321-L325 PolarHBondContact O-N 2.92Å; N321-L325 VanDerWaalsContact O-N 3.08Å; L322-L325 HydrophobicContact CD2-CD1 3.93Å; L322-L325 PolarHBondContact O-N 2.89Å; L325-A328 WeakPolarHBondContact O-CB 3.49Å; L325-A328 PolarHBondContact O-N 3.36Å; L325-L329 WeakPolarHBondContact O-CG 3.48Å; L325-L329 PolarHBondContact O-N 3.28Å
326	A	90.3	Very high	83.8	Confident	2 Å²	2	45.2 Å²	45.2	2%	0.017	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-46.7	175.9	0	0	0	0	0	111.1	L173 W294 L322 A328 L329 E330	L173-A326 HydrophobicContact CD2-CB 3.77Å; W294-A326 HydrophobicContact CH2-CB 4.49Å; L322-A326 WeakPolarHBondContact O-CB 3.22Å; L322-A326 PolarHBondContact O-N 2.88Å; A326-A328 VanDerWaalsContact C-N 3.27Å; A326-A328 PolarHBondContact O-N 2.83Å; A326-L329 PolarHBondContact O-N 3.1Å; A326-E330 WeakPolarHBondContact O-CB 3.35Å; A326-E330 WeakPolarHBondContact O-CG 3.4Å; A326-E330 PolarHBondContact O-N 2.68Å
327	Q	87.4	Confident	84.5	Confident	105 Å²	105	44.4 Å²	44.4	49%	0.491	24%	0.242	S	C	.	.	H	α-helix	trans	-66.2	-25.4	175.8	-71	177.5	8.5	0	0	113.6	L323 A324 R331	L323-Q327 WeakPolarHBondContact O-CB 3.31Å; L323-Q327 VanDerWaalsContact O-CG 3.27Å; L323-Q327 WeakPolarHBondContact O-CG 3.48Å; L323-Q327 PolarHBondContact O-N 3.31Å; A324-Q327 CarbonylContact O-C 3.52Å; A324-Q327 PolarHBondContact O-N 2.83Å; Q327-R331 VanDerWaalsContact O-CB 3.26Å; Q327-R331 WeakPolarHBondContact O-CB 3.21Å; Q327-R331 PolarHBondContact O-N 3.35Å
328	A	88	Confident	85.4	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-71.3	-53.3	171	0	0	0	0	0	110.1	L314 Y318 A324 L325 A326 E330 R331 L332	L314-A328 HydrophobicContact CD2-CB 4.06Å; Y318-A328 HydrophobicContact CD2-CB 4.33Å; Y318-A328 HydrophobicContact CE2-CB 3.73Å; A324-A328 VanDerWaalsContact O-CB 3.3Å; A324-A328 WeakPolarHBondContact O-CB 3.44Å; A324-A328 PolarHBondContact O-N 3.18Å; L325-A328 WeakPolarHBondContact O-CB 3.49Å; L325-A328 PolarHBondContact O-N 3.36Å; A326-A328 VanDerWaalsContact C-N 3.27Å; A326-A328 PolarHBondContact O-N 2.83Å; A328-E330 VanDerWaalsContact C-N 3.3Å; A328-E330 PolarHBondContact O-N 2.88Å; A328-R331 WeakPolarHBondContact O-CA 3.5Å; A328-R331 WeakPolarHBondContact O-CB 3.45Å; A328-R331 PolarHBondContact O-N 3.32Å; A328-L332 WeakPolarHBondContact O-CB 3.43Å; A328-L332 WeakPolarHBondContact O-CG 3.45Å; A328-L332 PolarHBondContact O-N 2.96Å
329	L	92.5	Very high	86.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-56.9	-41.4	177.2	-68.2	172.2	0	0	0	112.5	V295 R298 A299 L302 L304 L306 L314 L325 A326 R331 L332 S333 L341	V295-L329 HydrophobicContact CG1-CD1 4.28Å; R298-L329 HydrophobicContact CB-CD1 4Å; R298-L329 HydrophobicContact CG-CD1 3.86Å; A299-L329 HydrophobicContact CB-CD1 4.26Å; A299-L329 HydrophobicContact CB-CD2 3.95Å; L302-L329 HydrophobicContact CD1-CB 3.75Å; L304-L329 HydrophobicContact CD1-CB 4.29Å; L304-L329 HydrophobicContact CD1-CD2 4.36Å; L306-L329 HydrophobicContact CD2-CD2 4.29Å; L314-L329 HydrophobicContact CD1-CD2 3.96Å; L325-L329 WeakPolarHBondContact O-CG 3.48Å; L325-L329 PolarHBondContact O-N 3.28Å; A326-L329 PolarHBondContact O-N 3.1Å; L329-R331 VanDerWaalsContact C-N 3.28Å; L329-R331 PolarHBondContact O-N 3.05Å; L329-L332 PolarHBondContact O-N 3.28Å; L329-S333 PolarHBondContact O-N 3.04Å; L329-L341 HydrophobicContact CD2-CD1 4.3Å
330	E	91.1	Very high	87.2	Confident	56 Å²	56	48.7 Å²	48.7	26%	0.262	26%	0.264	S	S	.	.	H	α-helix	trans	-70.2	-18	175.6	-76.5	-175.3	-129.1	0	0	115	R136 L302 A326 A328 S333 L334	R136-E330 IonicContact CZ-OE2 2.77Å; R136-E330 IonicContact NH1-OE2 3.31Å; R136-E330 PolarHBondContact NH1-OE2 2.81Å; R136-E330 PolarHBondContact NH2-O 3.39Å; R136-E330 IonicContact NH2-OE2 3.91Å; L302-E330 HydrophobicContact CD1-CG 4.07Å; L302-E330 HydrophobicContact CD2-CG 4.35Å; A326-E330 WeakPolarHBondContact O-CB 3.35Å; A326-E330 WeakPolarHBondContact O-CG 3.4Å; A326-E330 PolarHBondContact O-N 2.68Å; A328-E330 VanDerWaalsContact C-N 3.3Å; A328-E330 PolarHBondContact O-N 2.88Å; E330-S333 PolarHBondContact O-OG 3.25Å; E330-L334 WeakPolarHBondContact O-CG 3.45Å
331	R	89.3	Confident	88.7	Confident	95 Å²	95	46.3 Å²	46.3	36%	0.358	24%	0.239	S	C	.	.	H	α-helix	trans	-87.4	-42.3	172.6	-171.3	-162.3	-41.7	149.2	9.6	110	Q327 A328 L329 S333 L334 L335 A353	Q327-R331 VanDerWaalsContact O-CB 3.26Å; Q327-R331 WeakPolarHBondContact O-CB 3.21Å; Q327-R331 PolarHBondContact O-N 3.35Å; A328-R331 WeakPolarHBondContact O-CA 3.5Å; A328-R331 WeakPolarHBondContact O-CB 3.45Å; A328-R331 PolarHBondContact O-N 3.32Å; L329-R331 VanDerWaalsContact C-N 3.28Å; L329-R331 PolarHBondContact O-N 3.05Å; R331-S333 VanDerWaalsContact C-N 3.31Å; R331-S333 PolarHBondContact O-N 3.05Å; R331-L334 PolarHBondContact O-N 2.72Å; R331-L334 VanDerWaalsContact O-N 3.11Å; R331-L335 HydrophobicContact CG-CD1 4.39Å; R331-L335 WeakPolarHBondContact O-CG 3.09Å; R331-L335 PolarHBondContact O-N 3.2Å; R331-A353 VanDerWaalsContact NH1-CB 3.34Å
332	L	91.2	Very high	89.4	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-60.7	-38.7	175.9	-67.9	169.5	0	0	0	111.4	L314 A328 L329 L334 L335 W336 L341 V346 A349	L314-L332 HydrophobicContact CD1-CD1 4.04Å; L314-L332 HydrophobicContact CD2-CD1 4.09Å; A328-L332 WeakPolarHBondContact O-CB 3.43Å; A328-L332 WeakPolarHBondContact O-CG 3.45Å; A328-L332 PolarHBondContact O-N 2.96Å; L329-L332 PolarHBondContact O-N 3.28Å; L332-L334 VanDerWaalsContact C-N 3.28Å; L332-L334 PolarHBondContact O-N 3.37Å; L332-L335 PolarHBondContact O-N 3.03Å; L332-W336 HydrophobicContact CD2-CE3 4.09Å; L332-W336 HydrophobicContact CD2-CZ3 3.63Å; L332-W336 PolarHBondContact O-N 2.91Å; L332-L341 HydrophobicContact CB-CD1 3.63Å; L332-L341 HydrophobicContact CB-CD2 3.77Å; L332-L341 HydrophobicContact CB-CG 4.37Å; L332-L341 HydrophobicContact CD1-CD1 4Å; L332-L341 HydrophobicContact CG-CD1 4.4Å; L332-V346 HydrophobicContact CD1-CG2 4.18Å; L332-V346 HydrophobicContact CD2-CG2 4.33Å; L332-A349 HydrophobicContact CD2-CB 3.59Å
333	S	92.3	Very high	89.6	Confident	26 Å²	26	48.5 Å²	48.5	18%	0.182	25%	0.253	C	S	.	.	H	α-helix	trans	-65.6	-26.9	174	69.3	0	0	0	0	114.3	L329 E330 R331	L329-S333 PolarHBondContact O-N 3.04Å; E330-S333 PolarHBondContact O-OG 3.25Å; R331-S333 VanDerWaalsContact C-N 3.31Å; R331-S333 PolarHBondContact O-N 3.05Å
334	L	90.5	Very high	89.7	Confident	108 Å²	108	49.5 Å²	49.5	57%	0.565	26%	0.263	S	S	*	.	H	α-helix	trans	-84.3	-29.8	174.6	-66.9	173.7	0	0	0	112.5	E330 R331 L332	E330-L334 WeakPolarHBondContact O-CG 3.45Å; R331-L334 PolarHBondContact O-N 2.72Å; R331-L334 VanDerWaalsContact O-N 3.11Å; L332-L334 VanDerWaalsContact C-N 3.28Å; L332-L334 PolarHBondContact O-N 3.37Å
335	L	89	Confident	90.2	Very high	92 Å²	92	52 Å²	52	48%	0.482	27%	0.269	S	S	.	.	H	α-helix	trans	-74.4	-37.4	174.1	-70.3	171.2	0	0	0	111.9	R331 L332 A349	R331-L335 HydrophobicContact CG-CD1 4.39Å; R331-L335 WeakPolarHBondContact O-CG 3.09Å; R331-L335 PolarHBondContact O-N 3.2Å; L332-L335 PolarHBondContact O-N 3.03Å; L335-A349 HydrophobicContact CD1-CB 3.97Å
336	W	92.1	Very high	90.1	Very high	44 Å²	44	52 Å²	52	17%	0.167	27%	0.269	C	S	.	.			trans	-127.9	82.9	-179.6	-67.6	-68.8	0	0	0	112	L332 D338 G339 L341 R345 A349	L332-W336 HydrophobicContact CD2-CE3 4.09Å; L332-W336 HydrophobicContact CD2-CZ3 3.63Å; L332-W336 PolarHBondContact O-N 2.91Å; W336-D338 PolarHBondContact O-N 2.85Å; W336-D338 VanDerWaalsContact O-N 3.08Å; W336-G339 PolarHBondContact O-N 2.89Å; W336-L341 HydrophobicContact CB-CD2 4.21Å; W336-L341 HydrophobicContact CE3-CD2 4.03Å; W336-R345 HydrophobicContact CD2-CB 4.09Å; W336-R345 HydrophobicContact CD2-CG 4.14Å; W336-R345 HydrophobicContact CE3-CB 4.09Å; W336-R345 HydrophobicContact CH2-CB 3.8Å; W336-R345 HydrophobicContact CH2-CG 4.39Å; W336-R345 WeakPolarHBondContact CH2-O 3.48Å; W336-R345 HydrophobicContact CZ2-CB 3.78Å; W336-R345 HydrophobicContact CZ2-CG 3.85Å; W336-R345 HydrophobicContact CZ3-CB 3.95Å; W336-R345 WeakPolarHBondContact CZ3-O 3.43Å; W336-A349 HydrophobicContact CH2-CB 3.92Å; W336-A349 HydrophobicContact CZ3-CB 3.82Å
337	P	88.9	Confident	89.7	Confident	116 Å²	116	55.7 Å²	55.7	75%	0.753	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-4.3	177.9	-22.6	35.1	0	0	0	115.4
338	D	90.1	Very high	89.2	Confident	85 Å²	85	55.3 Å²	55.3	46%	0.455	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-4.7	168	66.5	8.8	0	0	0	112.7	W336 K340 R345	W336-D338 PolarHBondContact O-N 2.85Å; W336-D338 VanDerWaalsContact O-N 3.08Å; D338-K340 PolarHBondContact O-N 2.79Å; D338-K340 PolarHBondContact OD1-N 2.69Å; D338-R345 VanDerWaalsContact CG-NH1 3.26Å; D338-R345 IonicContact OD1-CZ 3.09Å; D338-R345 IonicContact OD1-NH1 2.77Å; D338-R345 PolarHBondContact OD1-NH1 2.83Å; D338-R345 IonicContact OD1-NH2 2.73Å; D338-R345 IonicContact OD2-CZ 3.52Å; D338-R345 IonicContact OD2-NH1 3.92Å; D338-R345 PolarHBondContact OD2-NH1 2.76Å; D338-R345 IonicContact OD2-NH2 3.53Å; D338-R345 PolarHBondContact OD2-NH2 3.03Å
339	G	88.6	Confident	88.7	Confident	11 Å²	11	55.9 Å²	55.9	11%	0.113	29%	0.29	C	S	.	.			trans	76.4	-3	177.2	0	0	0	0	0	115.3	L304 E305 W336 L341	L304-G339 CarbonylContact C-O 3.53Å; L304-G339 WeakPolarHBondContact CA-O 3.12Å; E305-G339 PolarHBondContact N-O 2.91Å; W336-G339 PolarHBondContact O-N 2.89Å; G339-L341 PolarHBondContact O-N 2.69Å
340	K	92.3	Very high	87.8	Confident	95 Å²	95	56 Å²	56	41%	0.413	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	103.6	-169.8	-68.5	177.5	-174.4	-79.3	0	111.6	E305 D338 T342 R345	E305-K340 HydrophobicContact CB-CG 4.41Å; E305-K340 IonicContact OE1-NZ 3.05Å; E305-K340 IonicContact OE2-NZ 2.73Å; E305-K340 PolarHBondContact OE2-NZ 3Å; D338-K340 PolarHBondContact O-N 2.79Å; D338-K340 PolarHBondContact OD1-N 2.69Å; K340-T342 PolarHBondContact O-N 3.41Å; K340-R345 WeakPolarHBondContact O-CD 3.49Å; K340-R345 PolarHBondContact O-NH1 2.92Å
341	L	93.1	Very high	86.3	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	74.3	-177.3	-58.8	-171.3	0	0	0	109.9	L304 E305 L306 D307 A310 L329 L332 W336 G339 V346	L304-L341 HydrophobicContact CB-CD1 4.17Å; L304-L341 HydrophobicContact CD1-CD1 3.81Å; L304-L341 HydrophobicContact CD2-CD1 4.31Å; L304-L341 HydrophobicContact CG-CD1 4.3Å; E305-L341 PolarHBondContact O-N 2.86Å; L306-L341 HydrophobicContact CB-CB 4.42Å; L306-L341 HydrophobicContact CD1-CB 3.61Å; L306-L341 HydrophobicContact CD1-CD1 4.27Å; D307-L341 PolarHBondContact N-O 2.79Å; D307-L341 VanDerWaalsContact N-O 3.15Å; A310-L341 WeakPolarHBondContact CB-O 3.4Å; L329-L341 HydrophobicContact CD2-CD1 4.3Å; L332-L341 HydrophobicContact CB-CD1 3.63Å; L332-L341 HydrophobicContact CB-CD2 3.77Å; L332-L341 HydrophobicContact CB-CG 4.37Å; L332-L341 HydrophobicContact CD1-CD1 4Å; L332-L341 HydrophobicContact CG-CD1 4.4Å; W336-L341 HydrophobicContact CB-CD2 4.21Å; W336-L341 HydrophobicContact CE3-CD2 4.03Å; G339-L341 PolarHBondContact O-N 2.69Å; L341-V346 HydrophobicContact CB-CG2 3.84Å
342	T	91.7	Very high	84.5	Confident	47 Å²	47	61.4 Å²	61.4	29%	0.288	33%	0.328	S	S	.	.			trans	-74.4	158.3	177.1	60.3	0	0	0	0	112.2	D307 K340 R345 V346	D307-T342 WeakPolarHBondContact OD2-CA 3.22Å; D307-T342 WeakPolarHBondContact OD2-CB 3.35Å; K340-T342 PolarHBondContact O-N 3.41Å; T342-R345 PolarHBondContact O-N 3.21Å; T342-R345 VanDerWaalsContact O-N 3.14Å; T342-V346 PolarHBondContact O-N 3.4Å
343	L	89.7	Confident	82.8	Confident	51 Å²	51	62.7 Å²	62.7	27%	0.267	34%	0.339	S	S	.	.	H	α-helix	trans	-47.6	-52.5	-179.1	175.7	68.7	0	0	0	113.5	D307 A309 V313 R345 V346 E347	D307-L343 PolarHBondContact OD2-N 2.84Å; A309-L343 HydrophobicContact CB-CB 4.21Å; A309-L343 HydrophobicContact CB-CD1 3.99Å; A309-L343 HydrophobicContact CB-CD2 3.97Å; A309-L343 HydrophobicContact CB-CG 4.28Å; V313-L343 HydrophobicContact CG2-CD1 3.68Å; L343-R345 PolarHBondContact O-N 2.79Å; L343-V346 PolarHBondContact O-N 2.88Å; L343-E347 HydrophobicContact CD1-CG 3.77Å; L343-E347 HydrophobicContact CG-CG 4.31Å; L343-E347 PolarHBondContact O-N 3.21Å
344	P	86.6	Confident	81.2	Confident	88 Å²	88	62 Å²	62	57%	0.571	34%	0.335	S	S	*	.	H	α-helix	trans	-64.6	-36.8	-178	-22.4	34.9	0	0	0	113.6	V346 Q348	P344-V346 VanDerWaalsContact C-N 3.34Å; P344-Q348 VanDerWaalsContact O-CB 3.26Å; P344-Q348 WeakPolarHBondContact O-CB 3.4Å; P344-Q348 PolarHBondContact O-N 2.79Å
345	R	90.4	Very high	79.9	Confident	65 Å²	65	60.6 Å²	60.6	25%	0.245	33%	0.325	C	S	.	.	H	α-helix	trans	-62.6	-44.2	175.8	-73	177.8	170.3	-164	-3.6	110.6	W336 D338 K340 T342 L343 A349	W336-R345 HydrophobicContact CD2-CB 4.09Å; W336-R345 HydrophobicContact CD2-CG 4.14Å; W336-R345 HydrophobicContact CE3-CB 4.09Å; W336-R345 HydrophobicContact CH2-CB 3.8Å; W336-R345 HydrophobicContact CH2-CG 4.39Å; W336-R345 WeakPolarHBondContact CH2-O 3.48Å; W336-R345 HydrophobicContact CZ2-CB 3.78Å; W336-R345 HydrophobicContact CZ2-CG 3.85Å; W336-R345 HydrophobicContact CZ3-CB 3.95Å; W336-R345 WeakPolarHBondContact CZ3-O 3.43Å; D338-R345 VanDerWaalsContact CG-NH1 3.26Å; D338-R345 IonicContact OD1-CZ 3.09Å; D338-R345 IonicContact OD1-NH1 2.77Å; D338-R345 PolarHBondContact OD1-NH1 2.83Å; D338-R345 IonicContact OD1-NH2 2.73Å; D338-R345 IonicContact OD2-CZ 3.52Å; D338-R345 IonicContact OD2-NH1 3.92Å; D338-R345 PolarHBondContact OD2-NH1 2.76Å; D338-R345 IonicContact OD2-NH2 3.53Å; D338-R345 PolarHBondContact OD2-NH2 3.03Å; K340-R345 WeakPolarHBondContact O-CD 3.49Å; K340-R345 PolarHBondContact O-NH1 2.92Å; T342-R345 PolarHBondContact O-N 3.21Å; T342-R345 VanDerWaalsContact O-N 3.14Å; L343-R345 PolarHBondContact O-N 2.79Å; R345-A349 PolarHBondContact O-N 3.49Å
346	V	88	Confident	79	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-72.7	-42.8	-178.6	172.5	0	0	0	0	111.7	L306 A310 V313 L314 L332 L341 T342 L343 P344 Q348 A349 V350	L306-V346 HydrophobicContact CD1-CG2 4.24Å; A310-V346 HydrophobicContact CB-CB 3.83Å; A310-V346 HydrophobicContact CB-CG1 4.14Å; A310-V346 HydrophobicContact CB-CG2 3.81Å; V313-V346 HydrophobicContact CG1-CG1 4.47Å; L314-V346 HydrophobicContact CD1-CG1 4.12Å; L314-V346 HydrophobicContact CD2-CG1 4.06Å; L314-V346 HydrophobicContact CG-CG1 3.71Å; L332-V346 HydrophobicContact CD1-CG2 4.18Å; L332-V346 HydrophobicContact CD2-CG2 4.33Å; L341-V346 HydrophobicContact CB-CG2 3.84Å; T342-V346 PolarHBondContact O-N 3.4Å; L343-V346 PolarHBondContact O-N 2.88Å; P344-V346 VanDerWaalsContact C-N 3.34Å; V346-Q348 PolarHBondContact O-N 2.86Å; V346-A349 PolarHBondContact O-N 2.9Å; V346-V350 HydrophobicContact CG1-CG2 3.89Å; V346-V350 WeakPolarHBondContact O-CB 3.31Å; V346-V350 WeakPolarHBondContact O-CG2 3.06Å; V346-V350 PolarHBondContact O-N 2.99Å
347	E	80.4	Confident	78.2	Confident	81 Å²	81	57.6 Å²	57.6	38%	0.379	31%	0.314	S	S	.	.	H	α-helix	trans	-58.9	-45.6	174.5	-74	-179.5	139.3	0	0	111.8	V313 L343 A349 V350 N351	V313-E347 HydrophobicContact CG1-CG 4.13Å; V313-E347 HydrophobicContact CG2-CG 4.01Å; L343-E347 HydrophobicContact CD1-CG 3.77Å; L343-E347 HydrophobicContact CG-CG 4.31Å; L343-E347 PolarHBondContact O-N 3.21Å; E347-A349 VanDerWaalsContact C-N 3.32Å; E347-A349 PolarHBondContact O-N 3.04Å; E347-V350 PolarHBondContact O-N 2.84Å; E347-N351 WeakPolarHBondContact O-CB 3.33Å; E347-N351 PolarHBondContact O-N 2.82Å; E347-N351 PolarHBondContact O-ND2 3.05Å
348	Q	76.7	Confident	77.8	Confident	96 Å²	96	53.1 Å²	53.1	45%	0.449	29%	0.285	S	S	.	.	H	α-helix	trans	-56.2	-43.8	175.5	-170.9	-176.8	30.1	0	0	112.2	P344 V346	P344-Q348 VanDerWaalsContact O-CB 3.26Å; P344-Q348 WeakPolarHBondContact O-CB 3.4Å; P344-Q348 PolarHBondContact O-N 2.79Å; V346-Q348 PolarHBondContact O-N 2.86Å
349	A	78.6	Confident	77.3	Confident	14 Å²	14	54.8 Å²	54.8	12%	0.116	29%	0.288	C	S	.	.	H	α-helix	trans	-84.4	-8.7	-178.7	0	0	0	0	0	115.1	L332 L335 W336 R345 V346 E347	L332-A349 HydrophobicContact CD2-CB 3.59Å; L335-A349 HydrophobicContact CD1-CB 3.97Å; W336-A349 HydrophobicContact CH2-CB 3.92Å; W336-A349 HydrophobicContact CZ3-CB 3.82Å; R345-A349 PolarHBondContact O-N 3.49Å; V346-A349 PolarHBondContact O-N 2.9Å; E347-A349 VanDerWaalsContact C-N 3.32Å; E347-A349 PolarHBondContact O-N 3.04Å
350	V	72.8	Confident	76.8	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-104.9	-32	-177.8	171.6	0	0	0	0	112.3	V313 L314 C317 Y318 V346 E347 D352 A353 A354	V313-V350 HydrophobicContact CG1-CB 4.4Å; V313-V350 HydrophobicContact CG1-CG1 4.13Å; L314-V350 HydrophobicContact CD2-CG2 3.68Å; C317-V350 HydrophobicContact CB-CG1 3.42Å; C317-V350 VanDerWaalsContact CB-CG1 3.42Å; C317-V350 WeakPolarHBondContact SG-CG1 3.23Å; Y318-V350 HydrophobicContact CE2-CG1 4.31Å; Y318-V350 HydrophobicContact CE2-CG2 4.21Å; V346-V350 HydrophobicContact CG1-CG2 3.89Å; V346-V350 WeakPolarHBondContact O-CB 3.31Å; V346-V350 WeakPolarHBondContact O-CG2 3.06Å; V346-V350 PolarHBondContact O-N 2.99Å; E347-V350 PolarHBondContact O-N 2.84Å; V350-D352 PolarHBondContact O-N 3.16Å; V350-A353 CarbonylContact O-C 3.54Å; V350-A353 PolarHBondContact O-N 2.77Å; V350-A354 PolarHBondContact O-N 3.08Å
351	N	59.8	Low	76.7	Confident	116 Å²	116	53.1 Å²	53.1	62%	0.62	28%	0.278	S	S	*	.	H	α-helix	trans	-57	-35.1	176.4	-82	-32.7	0	0	0	113	E347 A353	E347-N351 WeakPolarHBondContact O-CB 3.33Å; E347-N351 PolarHBondContact O-N 2.82Å; E347-N351 PolarHBondContact O-ND2 3.05Å; N351-A353 VanDerWaalsContact C-N 3.28Å; N351-A353 PolarHBondContact O-N 3.4Å
352	D	52.6	Low	76.4	Confident	148 Å²	148	53.2 Å²	53.2	79%	0.791	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-11.2	175.4	-78	-10.3	0	0	0	114.5	V350	V350-D352 PolarHBondContact O-N 3.16Å
353	A	54.6	Low	75.6	Confident	31 Å²	31	54.2 Å²	54.2	26%	0.256	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.2	10.8	-162.7	0	0	0	0	0	115.6	Y318 R331 V350 N351 H355	Y318-A353 WeakPolarHBondContact CE1-O 3.49Å; Y318-A353 WeakPolarHBondContact OH-CB 3.47Å; Y318-A353 PolarHBondContact OH-O 3.17Å; R331-A353 VanDerWaalsContact NH1-CB 3.34Å; V350-A353 CarbonylContact O-C 3.54Å; V350-A353 PolarHBondContact O-N 2.77Å; N351-A353 VanDerWaalsContact C-N 3.28Å; N351-A353 PolarHBondContact O-N 3.4Å; A353-H355 PolarHBondContact O-N 3.49Å
354	A	58	Low	75.1	Confident	11 Å²	11	51.8 Å²	51.8	9%	0.091	27%	0.269	C	S	.	.			trans	-62.7	129.6	178.4	0	0	0	0	0	112.2	C317 V350 F356	C317-A354 HydrophobicContact CB-CB 4.44Å; V350-A354 PolarHBondContact O-N 3.08Å; A354-F356 HydrophobicContact CB-CE2 3.87Å; A354-F356 HydrophobicContact CB-CZ 4.18Å
355	H	63.6	Low	75.3	Confident	79 Å²	79	51 Å²	51	37%	0.366	26%	0.26	S	S	.	.			trans	-106.3	130.3	-177.8	-178	31.1	0	0	0	110.7	C317 Y318 A353 E383	C317-H355 PolarHBondContact O-N 3.33Å; Y318-H355 HydrophobicContact CD1-CB 4.47Å; A353-H355 PolarHBondContact O-N 3.49Å; H355-E383 WeakPolarHBondContact CA-OE1 3.49Å; H355-E383 IonicContact CE1-OE1 3.96Å; H355-E383 IonicContact CE1-OE2 3.78Å; H355-E383 IonicContact CG-OE1 3.75Å; H355-E383 IonicContact ND1-OE1 2.7Å; H355-E383 PolarHBondContact ND1-OE1 3.34Å; H355-E383 IonicContact ND1-OE2 3.92Å; H355-E383 PolarHBondContact ND1-OE2 2.99Å
356	F	71.1	Confident	75	Confident	26 Å²	26	51.6 Å²	51.6	11%	0.114	27%	0.268	C	S	.	.			trans	-117.1	155.3	-175.7	-67.8	-79.9	0	0	0	113.8	A354 H360 H375 I376 Q379 L380 E383	A354-F356 HydrophobicContact CB-CE2 3.87Å; A354-F356 HydrophobicContact CB-CZ 4.18Å; F356-H360 HydrophobicContact CD1-CB 4.09Å; F356-H360 AromaticContact CD1-ND1 3.78Å; F356-H375 AromaticContact CE2-CD2 3.83Å; F356-H375 AromaticContact CE2-NE2 3.66Å; F356-H375 AromaticContact CZ-CD2 3.99Å; F356-H375 AromaticContact CZ-NE2 4Å; F356-I376 HydrophobicContact CB-CG2 3.77Å; F356-I376 HydrophobicContact CD1-CB 4.46Å; F356-I376 HydrophobicContact CD1-CD1 3.87Å; F356-I376 HydrophobicContact CD1-CG1 3.6Å; F356-I376 HydrophobicContact CD1-CG2 4.22Å; F356-I376 HydrophobicContact CD2-CG1 4.27Å; F356-I376 HydrophobicContact CE1-CD1 3.96Å; F356-I376 HydrophobicContact CE1-CG1 3.68Å; F356-I376 HydrophobicContact CE2-CG1 4.32Å; F356-I376 HydrophobicContact CG-CB 4.35Å; F356-I376 HydrophobicContact CG-CG1 3.91Å; F356-I376 HydrophobicContact CG-CG2 3.96Å; F356-I376 HydrophobicContact CZ-CG1 4.03Å; F356-Q379 HydrophobicContact CD2-CB 3.77Å; F356-Q379 HydrophobicContact CD2-CG 4.01Å; F356-Q379 HydrophobicContact CE2-CB 4.29Å; F356-Q379 HydrophobicContact CE2-CG 4.01Å; F356-L380 HydrophobicContact CB-CD2 4.47Å; F356-L380 HydrophobicContact CB-CG 4.42Å; F356-L380 WeakPolarHBondContact O-CD2 3.14Å; F356-E383 PolarHBondContact N-OE1 3.16Å
357	T	73.8	Confident	74.5	Confident	48 Å²	48	56.5 Å²	56.5	29%	0.294	29%	0.292	S	S	.	.			trans	-102.9	158.4	171.3	71.7	0	0	0	0	110.9	F359 H360 W361	T357-F359 PolarHBondContact O-N 2.82Å; T357-F359 VanDerWaalsContact O-N 3.14Å; T357-F359 PolarHBondContact OG1-N 2.94Å; T357-H360 PolarHBondContact N-ND1 2.85Å; T357-H360 PolarHBondContact O-N 3.32Å; T357-H360 VanDerWaalsContact O-N 3.11Å; T357-H360 PolarHBondContact OG1-CD2 2.86Å; T357-H360 VanDerWaalsContact OG1-CG 3.3Å; T357-H360 PolarHBondContact OG1-N 2.82Å; T357-H360 PolarHBondContact OG1-NE2 2.87Å; T357-W361 PolarHBondContact O-N 3.09Å
358	P	81.4	Confident	74.7	Confident	22 Å²	22	55.5 Å²	55.5	14%	0.143	30%	0.303	C	S	.	.	H	α-helix	trans	-55.8	-25.2	169.8	-27.6	36.3	0	0	0	114.1	V362 I389 L390 T393	P358-V362 PolarHBondContact O-N 2.81Å; P358-I389 HydrophobicContact CG-CG2 3.93Å; P358-L390 HydrophobicContact CB-CD2 3.77Å; P358-L390 HydrophobicContact CG-CD2 3.78Å; P358-T393 HydrophobicContact CB-CG2 4.34Å
359	F	78.5	Confident	74.9	Confident	119 Å²	119	56.3 Å²	56.3	52%	0.522	31%	0.305	S	S	.	.	H	α-helix	trans	-71.3	-44	175.6	-63.6	-77.5	0	0	0	111.4	T357 W361 V362 D363 T393	T357-F359 PolarHBondContact O-N 2.82Å; T357-F359 VanDerWaalsContact O-N 3.14Å; T357-F359 PolarHBondContact OG1-N 2.94Å; F359-W361 PolarHBondContact O-N 3.17Å; F359-W361 VanDerWaalsContact O-N 3.09Å; F359-V362 PolarHBondContact O-N 2.86Å; F359-D363 VanDerWaalsContact O-CG 3.27Å; F359-D363 PolarHBondContact O-N 2.86Å; F359-T393 HydrophobicContact CD1-CG2 3.81Å; F359-T393 HydrophobicContact CE1-CG2 3.72Å; F359-T393 HydrophobicContact CG-CG2 4.43Å; F359-T393 HydrophobicContact CZ-CG2 4.27Å
360	H	78.3	Confident	75.3	Confident	43 Å²	43	59.7 Å²	59.7	20%	0.199	33%	0.328	C	S	.	.	H	α-helix	trans	-57.8	-31.2	177.7	-56.1	170.2	0	0	0	112.2	F356 T357 A364 I376	F356-H360 HydrophobicContact CD1-CB 4.09Å; F356-H360 AromaticContact CD1-ND1 3.78Å; T357-H360 PolarHBondContact N-ND1 2.85Å; T357-H360 PolarHBondContact O-N 3.32Å; T357-H360 VanDerWaalsContact O-N 3.11Å; T357-H360 PolarHBondContact OG1-CD2 2.86Å; T357-H360 VanDerWaalsContact OG1-CG 3.3Å; T357-H360 PolarHBondContact OG1-N 2.82Å; T357-H360 PolarHBondContact OG1-NE2 2.87Å; H360-A364 WeakPolarHBondContact O-CB 3.49Å; H360-A364 PolarHBondContact O-N 2.77Å; H360-I376 HydrophobicContact CB-CD1 4.02Å; H360-I376 VanDerWaalsContact O-CD1 3.31Å; H360-I376 WeakPolarHBondContact O-CD1 3.35Å
361	W	90.3	Very high	75.4	Confident	28 Å²	28	66.6 Å²	66.6	11%	0.106	36%	0.357	C	S	.	.	H	α-helix	trans	-67.5	-51.6	172.7	-178.5	53.6	0	0	0	112.3	T357 F359 A364 L365 A373 I376 L377 L380 L390 L394	T357-W361 PolarHBondContact O-N 3.09Å; F359-W361 PolarHBondContact O-N 3.17Å; F359-W361 VanDerWaalsContact O-N 3.09Å; W361-A364 WeakPolarHBondContact O-CB 3.41Å; W361-A364 PolarHBondContact O-N 3.49Å; W361-L365 HydrophobicContact CD2-CD1 4.06Å; W361-L365 HydrophobicContact CE3-CD1 4.44Å; W361-L365 HydrophobicContact CH2-CD1 4.29Å; W361-L365 HydrophobicContact CZ2-CD1 3.88Å; W361-L365 WeakPolarHBondContact O-CG 3.38Å; W361-L365 PolarHBondContact O-N 3.13Å; W361-A373 PolarHBondContact NE1-O 3.46Å; W361-I376 HydrophobicContact CB-CG2 3.71Å; W361-I376 HydrophobicContact CG-CG2 4.44Å; W361-L377 HydrophobicContact CZ2-CD1 4.04Å; W361-L377 HydrophobicContact CZ2-CD2 4.15Å; W361-L380 HydrophobicContact CB-CD1 3.94Å; W361-L380 HydrophobicContact CG-CD1 4.41Å; W361-L390 HydrophobicContact CE3-CB 4.25Å; W361-L390 HydrophobicContact CZ3-CB 3.83Å; W361-L394 HydrophobicContact CH2-CB 4.49Å; W361-L394 HydrophobicContact CH2-CD2 3.72Å; W361-L394 HydrophobicContact CZ3-CB 3.91Å; W361-L394 HydrophobicContact CZ3-CD2 3.99Å
362	V	87.3	Confident	76.2	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.018	34%	0.341	C	S	.	.	H	α-helix	trans	-64.5	-40.5	-179.8	175.6	0	0	0	0	111.2	P358 F359 A364 L365 L366 T393 L394 E397	P358-V362 PolarHBondContact O-N 2.81Å; F359-V362 PolarHBondContact O-N 2.86Å; V362-A364 VanDerWaalsContact C-N 3.3Å; V362-A364 PolarHBondContact O-N 2.77Å; V362-L365 WeakPolarHBondContact O-CB 3.37Å; V362-L365 PolarHBondContact O-N 3.23Å; V362-L365 VanDerWaalsContact O-N 3.09Å; V362-L366 HydrophobicContact CG1-CD1 3.95Å; V362-L366 HydrophobicContact CG1-CG 4.16Å; V362-L366 VanDerWaalsContact O-CG 3.31Å; V362-L366 WeakPolarHBondContact O-CG 3.35Å; V362-L366 PolarHBondContact O-N 3.09Å; V362-T393 HydrophobicContact CG2-CG2 4.05Å; V362-L394 HydrophobicContact CG2-CB 4.14Å; V362-L394 HydrophobicContact CG2-CD1 4.3Å; V362-E397 HydrophobicContact CG1-CB 4.06Å; V362-E397 HydrophobicContact CG1-CG 3.83Å
363	D	76.1	Confident	77.8	Confident	67 Å²	67	57.6 Å²	57.6	36%	0.358	31%	0.305	S	S	.	.	H	α-helix	trans	-59.3	-40.7	173.8	-64.5	-31.2	0	0	0	112	F359 L365 L366 M367	F359-D363 VanDerWaalsContact O-CG 3.27Å; F359-D363 PolarHBondContact O-N 2.86Å; D363-L365 VanDerWaalsContact C-N 3.34Å; D363-L366 PolarHBondContact O-N 3.22Å; D363-M367 HydrophobicContact CB-CE 3.86Å; D363-M367 WeakPolarHBondContact O-CB 3.35Å; D363-M367 WeakPolarHBondContact O-CE 3.48Å; D363-M367 WeakPolarHBondContact O-CG 3.09Å; D363-M367 PolarHBondContact O-N 3.21Å
364	A	78.2	Confident	79.4	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-67.3	-33.8	176.1	0	0	0	0	0	112.4	H360 W361 V362 G368 K369 R372 A373 I376	H360-A364 WeakPolarHBondContact O-CB 3.49Å; H360-A364 PolarHBondContact O-N 2.77Å; W361-A364 WeakPolarHBondContact O-CB 3.41Å; W361-A364 PolarHBondContact O-N 3.49Å; V362-A364 VanDerWaalsContact C-N 3.3Å; V362-A364 PolarHBondContact O-N 2.77Å; A364-G368 PolarHBondContact O-N 3.01Å; A364-K369 PolarHBondContact O-N 3.41Å; A364-R372 HydrophobicContact CB-CB 4.17Å; A364-R372 HydrophobicContact CB-CG 4.05Å; A364-A373 HydrophobicContact CB-CB 3.81Å; A364-I376 HydrophobicContact CB-CD1 4.26Å
365	L	91.1	Very high	80.3	Confident	72 Å²	72	65.3 Å²	65.3	38%	0.377	34%	0.336	S	S	.	.	H	α-helix	trans	-68.3	-46.4	171.7	-67.4	172.5	0	0	0	111.8	W361 V362 D363 M367 G368 A373 L394	W361-L365 HydrophobicContact CD2-CD1 4.06Å; W361-L365 HydrophobicContact CE3-CD1 4.44Å; W361-L365 HydrophobicContact CH2-CD1 4.29Å; W361-L365 HydrophobicContact CZ2-CD1 3.88Å; W361-L365 WeakPolarHBondContact O-CG 3.38Å; W361-L365 PolarHBondContact O-N 3.13Å; V362-L365 WeakPolarHBondContact O-CB 3.37Å; V362-L365 PolarHBondContact O-N 3.23Å; V362-L365 VanDerWaalsContact O-N 3.09Å; D363-L365 VanDerWaalsContact C-N 3.34Å; L365-M367 VanDerWaalsContact C-N 3.34Å; L365-M367 PolarHBondContact O-N 3.42Å; L365-G368 PolarHBondContact O-N 3.38Å; L365-A373 HydrophobicContact CD2-CB 3.72Å; L365-A373 HydrophobicContact CG-CB 4.05Å; L365-L394 HydrophobicContact CD1-CD1 3.94Å; L365-L394 HydrophobicContact CD1-CD2 4.41Å
366	L	84.3	Confident	81.2	Confident	78 Å²	78	61.5 Å²	61.5	41%	0.408	32%	0.319	S	S	.	.	H	α-helix	trans	-62.8	-38.4	179.6	-69.1	174.9	0	0	0	112.3	V362 D363 G368 L401	V362-L366 HydrophobicContact CG1-CD1 3.95Å; V362-L366 HydrophobicContact CG1-CG 4.16Å; V362-L366 VanDerWaalsContact O-CG 3.31Å; V362-L366 WeakPolarHBondContact O-CG 3.35Å; V362-L366 PolarHBondContact O-N 3.09Å; D363-L366 PolarHBondContact O-N 3.22Å; L366-G368 PolarHBondContact O-N 2.93Å; L366-L401 HydrophobicContact CD2-CD1 3.59Å
367	M	77.1	Confident	82.1	Confident	103 Å²	103	63.2 Å²	63.2	51%	0.507	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-1.6	172.8	-70.9	-175.5	-116.8	0	0	114.3	D363 L365 K369	D363-M367 HydrophobicContact CB-CE 3.86Å; D363-M367 WeakPolarHBondContact O-CB 3.35Å; D363-M367 WeakPolarHBondContact O-CE 3.48Å; D363-M367 WeakPolarHBondContact O-CG 3.09Å; D363-M367 PolarHBondContact O-N 3.21Å; L365-M367 VanDerWaalsContact C-N 3.34Å; L365-M367 PolarHBondContact O-N 3.42Å; M367-K369 HydrophobicContact CB-CD 3.94Å; M367-K369 HydrophobicContact CB-CG 3.94Å; M367-K369 PolarHBondContact O-N 3.19Å; M367-K369 HydrophobicContact SD-CD 3.97Å; M367-K369 PolarHBondContact SD-NZ 2.95Å; M367-K369 VanDerWaalsContact SD-NZ 3.38Å
368	G	84.1	Confident	82.6	Confident	59 Å²	59	66.2 Å²	66.2	61%	0.608	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	11.4	-175.1	0	0	0	0	0	114.9	A364 L365 L366 S370	A364-G368 PolarHBondContact O-N 3.01Å; L365-G368 PolarHBondContact O-N 3.38Å; L366-G368 PolarHBondContact O-N 2.93Å; G368-S370 PolarHBondContact O-N 3.48Å
369	K	82	Confident	82.4	Confident	114 Å²	114	66.9 Å²	66.9	50%	0.496	34%	0.341	S	S	.	.			trans	-81	64.2	-176.2	-68.4	176.3	179.7	171.5	0	110.8	A364 M367 K371 R372 A373	A364-K369 PolarHBondContact O-N 3.41Å; M367-K369 HydrophobicContact CB-CD 3.94Å; M367-K369 HydrophobicContact CB-CG 3.94Å; M367-K369 PolarHBondContact O-N 3.19Å; M367-K369 HydrophobicContact SD-CD 3.97Å; M367-K369 PolarHBondContact SD-NZ 2.95Å; M367-K369 VanDerWaalsContact SD-NZ 3.38Å; K369-K371 PolarHBondContact O-N 3.46Å; K369-R372 HydrophobicContact CB-CB 4.09Å; K369-R372 WeakPolarHBondContact O-CA 3.46Å; K369-R372 WeakPolarHBondContact O-CB 3.43Å; K369-R372 PolarHBondContact O-N 3.08Å; K369-A373 PolarHBondContact O-N 3.46Å
370	S	86	Confident	82.7	Confident	85 Å²	85	61.2 Å²	61.2	59%	0.594	32%	0.316	S	S	*	.	H	α-helix	trans	-48.5	-47.6	-173.5	59	0	0	0	0	114.3	G368 R372 A373 L374	G368-S370 PolarHBondContact O-N 3.48Å; S370-R372 VanDerWaalsContact C-N 3.34Å; S370-R372 PolarHBondContact O-N 3.24Å; S370-A373 PolarHBondContact O-N 2.91Å; S370-A373 VanDerWaalsContact O-N 3.15Å; S370-L374 WeakPolarHBondContact O-CG 3.45Å; S370-L374 PolarHBondContact O-N 3.38Å
371	K	74.9	Confident	83	Confident	146 Å²	146	67.6 Å²	67.6	64%	0.635	34%	0.338	S	S	*	.	H	α-helix	trans	-59.2	-40.8	177.5	-170.8	175.3	-179.9	179	0	112.4	K369 H375	K369-K371 PolarHBondContact O-N 3.46Å; K371-H375 PolarHBondContact O-N 3.28Å; K371-H375 VanDerWaalsContact O-N 3.11Å
372	R	76.2	Confident	82.2	Confident	71 Å²	71	71.8 Å²	71.8	27%	0.268	36%	0.362	S	S	.	.	H	α-helix	trans	-67.1	-44.6	174	-172	-175.2	-171.2	-122.4	11.7	110.6	Y316 A364 K369 S370 L374 H375 I376	Y316-R372 PolarHBondContact OH-NH2 2.85Å; A364-R372 HydrophobicContact CB-CB 4.17Å; A364-R372 HydrophobicContact CB-CG 4.05Å; K369-R372 HydrophobicContact CB-CB 4.09Å; K369-R372 WeakPolarHBondContact O-CA 3.46Å; K369-R372 WeakPolarHBondContact O-CB 3.43Å; K369-R372 PolarHBondContact O-N 3.08Å; S370-R372 VanDerWaalsContact C-N 3.34Å; S370-R372 PolarHBondContact O-N 3.24Å; R372-L374 VanDerWaalsContact C-N 3.34Å; R372-L374 PolarHBondContact O-N 2.71Å; R372-H375 PolarHBondContact O-N 3.35Å; R372-I376 HydrophobicContact CG-CD1 3.77Å; R372-I376 HydrophobicContact CG-CG1 4.38Å; R372-I376 WeakPolarHBondContact O-CB 3.23Å; R372-I376 VanDerWaalsContact O-CG1 3.22Å; R372-I376 WeakPolarHBondContact O-CG1 3.49Å; R372-I376 PolarHBondContact O-N 3.38Å
373	A	86.6	Confident	81.5	Confident	4 Å²	4	74.8 Å²	74.8	3%	0.033	38%	0.376	C	S	.	.	H	α-helix	trans	-62.2	-39.4	178.9	0	0	0	0	0	112.5	W361 A364 L365 K369 S370 L377	W361-A373 PolarHBondContact NE1-O 3.46Å; A364-A373 HydrophobicContact CB-CB 3.81Å; L365-A373 HydrophobicContact CD2-CB 3.72Å; L365-A373 HydrophobicContact CG-CB 4.05Å; K369-A373 PolarHBondContact O-N 3.46Å; S370-A373 PolarHBondContact O-N 2.91Å; S370-A373 VanDerWaalsContact O-N 3.15Å; A373-L377 VanDerWaalsContact O-CB 3.29Å; A373-L377 WeakPolarHBondContact O-CB 3.42Å; A373-L377 PolarHBondContact O-N 2.83Å
374	L	89.2	Confident	81.6	Confident	116 Å²	116	74.4 Å²	74.4	61%	0.607	39%	0.387	S	S	*	.	H	α-helix	trans	-67.7	-44.9	175.7	-71.7	171.7	0	0	0	112.3	S370 R372 I376 L377 Q378	S370-L374 WeakPolarHBondContact O-CG 3.45Å; S370-L374 PolarHBondContact O-N 3.38Å; R372-L374 VanDerWaalsContact C-N 3.34Å; R372-L374 PolarHBondContact O-N 2.71Å; L374-I376 PolarHBondContact O-N 2.77Å; L374-L377 PolarHBondContact O-N 3.42Å; L374-Q378 PolarHBondContact O-N 2.88Å
375	H	77	Confident	81.4	Confident	88 Å²	88	76.2 Å²	76.2	41%	0.407	40%	0.4	S	S	.	.	H	α-helix	trans	-58.8	-47.8	175	174.6	88.7	0	0	0	111.7	F356 K371 R372 L377 Q378 Q379	F356-H375 AromaticContact CE2-CD2 3.83Å; F356-H375 AromaticContact CE2-NE2 3.66Å; F356-H375 AromaticContact CZ-CD2 3.99Å; F356-H375 AromaticContact CZ-NE2 4Å; K371-H375 PolarHBondContact O-N 3.28Å; K371-H375 VanDerWaalsContact O-N 3.11Å; R372-H375 PolarHBondContact O-N 3.35Å; H375-L377 PolarHBondContact O-N 3.09Å; H375-Q378 WeakPolarHBondContact O-CB 3.33Å; H375-Q378 PolarHBondContact O-N 3.36Å; H375-Q379 PolarHBondContact O-N 2.87Å
376	I	81.8	Confident	80.9	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-61.5	-43.5	177.9	-67.8	174.4	0	0	0	111.1	F356 H360 W361 A364 R372 L374 Q378 Q379 L380	F356-I376 HydrophobicContact CB-CG2 3.77Å; F356-I376 HydrophobicContact CD1-CB 4.46Å; F356-I376 HydrophobicContact CD1-CD1 3.87Å; F356-I376 HydrophobicContact CD1-CG1 3.6Å; F356-I376 HydrophobicContact CD1-CG2 4.22Å; F356-I376 HydrophobicContact CD2-CG1 4.27Å; F356-I376 HydrophobicContact CE1-CD1 3.96Å; F356-I376 HydrophobicContact CE1-CG1 3.68Å; F356-I376 HydrophobicContact CE2-CG1 4.32Å; F356-I376 HydrophobicContact CG-CB 4.35Å; F356-I376 HydrophobicContact CG-CG1 3.91Å; F356-I376 HydrophobicContact CG-CG2 3.96Å; F356-I376 HydrophobicContact CZ-CG1 4.03Å; H360-I376 HydrophobicContact CB-CD1 4.02Å; H360-I376 VanDerWaalsContact O-CD1 3.31Å; H360-I376 WeakPolarHBondContact O-CD1 3.35Å; W361-I376 HydrophobicContact CB-CG2 3.71Å; W361-I376 HydrophobicContact CG-CG2 4.44Å; A364-I376 HydrophobicContact CB-CD1 4.26Å; R372-I376 HydrophobicContact CG-CD1 3.77Å; R372-I376 HydrophobicContact CG-CG1 4.38Å; R372-I376 WeakPolarHBondContact O-CB 3.23Å; R372-I376 VanDerWaalsContact O-CG1 3.22Å; R372-I376 WeakPolarHBondContact O-CG1 3.49Å; R372-I376 PolarHBondContact O-N 3.38Å; L374-I376 PolarHBondContact O-N 2.77Å; I376-Q378 VanDerWaalsContact C-N 3.28Å; I376-Q378 PolarHBondContact O-N 2.98Å; I376-Q379 PolarHBondContact O-N 2.87Å; I376-L380 HydrophobicContact CG2-CD1 3.68Å; I376-L380 HydrophobicContact CG2-CG 4.21Å; I376-L380 WeakPolarHBondContact O-CB 3.35Å; I376-L380 WeakPolarHBondContact O-CG 3.44Å; I376-L380 PolarHBondContact O-N 3.35Å
377	L	89.8	Confident	81.1	Confident	62 Å²	62	74.8 Å²	74.8	33%	0.325	40%	0.397	S	S	.	.	H	α-helix	trans	-63.3	-34.6	177.2	-174.5	60.2	0	0	0	112.4	W361 A373 L374 H375 R381 L390	W361-L377 HydrophobicContact CZ2-CD1 4.04Å; W361-L377 HydrophobicContact CZ2-CD2 4.15Å; A373-L377 VanDerWaalsContact O-CB 3.29Å; A373-L377 WeakPolarHBondContact O-CB 3.42Å; A373-L377 PolarHBondContact O-N 2.83Å; L374-L377 PolarHBondContact O-N 3.42Å; H375-L377 PolarHBondContact O-N 3.09Å; L377-R381 WeakPolarHBondContact O-CB 3.22Å; L377-R381 PolarHBondContact O-N 2.95Å; L377-L390 HydrophobicContact CD1-CD1 3.73Å
378	Q	84.8	Confident	81.4	Confident	111 Å²	111	71.7 Å²	71.7	52%	0.519	38%	0.384	S	S	.	.	H	α-helix	trans	-67.8	-42	174.2	177.4	167.7	-24.8	0	0	111.9	L374 H375 I376 R381 L382	L374-Q378 PolarHBondContact O-N 2.88Å; H375-Q378 WeakPolarHBondContact O-CB 3.33Å; H375-Q378 PolarHBondContact O-N 3.36Å; I376-Q378 VanDerWaalsContact C-N 3.28Å; I376-Q378 PolarHBondContact O-N 2.98Å; Q378-R381 WeakPolarHBondContact O-CB 3.32Å; Q378-R381 PolarHBondContact O-N 3.28Å; Q378-L382 HydrophobicContact CG-CD1 4.46Å; Q378-L382 WeakPolarHBondContact O-CG 3.45Å; Q378-L382 PolarHBondContact O-N 3.17Å
379	Q	77.8	Confident	81.3	Confident	35 Å²	35	72 Å²	72	16%	0.164	37%	0.372	C	S	.	.	H	α-helix	trans	-68.4	-46.8	176.7	-67.2	-67.1	19.7	0	0	112.1	F356 H375 I376 R381 L382 E383	F356-Q379 HydrophobicContact CD2-CB 3.77Å; F356-Q379 HydrophobicContact CD2-CG 4.01Å; F356-Q379 HydrophobicContact CE2-CB 4.29Å; F356-Q379 HydrophobicContact CE2-CG 4.01Å; H375-Q379 PolarHBondContact O-N 2.87Å; I376-Q379 PolarHBondContact O-N 2.87Å; Q379-R381 PolarHBondContact O-N 2.95Å; Q379-R381 VanDerWaalsContact O-N 3.08Å; Q379-L382 WeakPolarHBondContact O-CA 3.35Å; Q379-L382 WeakPolarHBondContact O-CB 3.44Å; Q379-L382 PolarHBondContact O-N 2.94Å; Q379-E383 WeakPolarHBondContact O-CG 3.42Å; Q379-E383 PolarHBondContact O-N 2.76Å
380	L	83.4	Confident	81.6	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-53	-34.2	173.8	-73.5	166	0	0	0	112.4	F356 W361 I376 G384 S385 L390	F356-L380 HydrophobicContact CB-CD2 4.47Å; F356-L380 HydrophobicContact CB-CG 4.42Å; F356-L380 WeakPolarHBondContact O-CD2 3.14Å; W361-L380 HydrophobicContact CB-CD1 3.94Å; W361-L380 HydrophobicContact CG-CD1 4.41Å; I376-L380 HydrophobicContact CG2-CD1 3.68Å; I376-L380 HydrophobicContact CG2-CG 4.21Å; I376-L380 WeakPolarHBondContact O-CB 3.35Å; I376-L380 WeakPolarHBondContact O-CG 3.44Å; I376-L380 PolarHBondContact O-N 3.35Å; L380-G384 PolarHBondContact O-N 3.22Å; L380-S385 WeakPolarHBondContact O-CB 2.98Å; L380-S385 PolarHBondContact O-N 3.02Å; L380-L390 HydrophobicContact CD1-CD2 3.92Å
381	R	85.4	Confident	81.8	Confident	177 Å²	177	68.4 Å²	68.4	67%	0.668	35%	0.35	S	S	*	.	H	α-helix	trans	-71.5	-36.1	174	-173.5	-173.6	68	177.6	-0.3	113.1	L377 Q378 Q379 G384	L377-R381 WeakPolarHBondContact O-CB 3.22Å; L377-R381 PolarHBondContact O-N 2.95Å; Q378-R381 WeakPolarHBondContact O-CB 3.32Å; Q378-R381 PolarHBondContact O-N 3.28Å; Q379-R381 PolarHBondContact O-N 2.95Å; Q379-R381 VanDerWaalsContact O-N 3.08Å; R381-G384 PolarHBondContact O-N 2.79Å
382	L	73.7	Confident	82	Confident	116 Å²	116	65.6 Å²	65.6	61%	0.607	34%	0.335	S	S	*	.	H	α-helix	trans	-73.8	-35.3	177.2	-69.2	170.2	0	0	0	112.1	Q378 Q379 G384	Q378-L382 HydrophobicContact CG-CD1 4.46Å; Q378-L382 WeakPolarHBondContact O-CG 3.45Å; Q378-L382 PolarHBondContact O-N 3.17Å; Q379-L382 WeakPolarHBondContact O-CA 3.35Å; Q379-L382 WeakPolarHBondContact O-CB 3.44Å; Q379-L382 PolarHBondContact O-N 2.94Å; L382-G384 PolarHBondContact O-N 3.17Å
383	E	72.2	Confident	82.1	Confident	67 Å²	67	63.2 Å²	63.2	31%	0.313	33%	0.329	S	S	.	.	H	α-helix	trans	-66	-23.6	170.8	-65.7	168.3	-178.6	0	0	113.1	H355 F356 Q379	H355-E383 WeakPolarHBondContact CA-OE1 3.49Å; H355-E383 IonicContact CE1-OE1 3.96Å; H355-E383 IonicContact CE1-OE2 3.78Å; H355-E383 IonicContact CG-OE1 3.75Å; H355-E383 IonicContact ND1-OE1 2.7Å; H355-E383 PolarHBondContact ND1-OE1 3.34Å; H355-E383 IonicContact ND1-OE2 3.92Å; H355-E383 PolarHBondContact ND1-OE2 2.99Å; F356-E383 PolarHBondContact N-OE1 3.16Å; Q379-E383 WeakPolarHBondContact O-CG 3.42Å; Q379-E383 PolarHBondContact O-N 2.76Å
384	G	77.1	Confident	82.3	Confident	58 Å²	58	65.1 Å²	65.1	60%	0.598	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	24.7	-177.7	0	0	0	0	0	114.8	L380 R381 L382 E386	L380-G384 PolarHBondContact O-N 3.22Å; R381-G384 PolarHBondContact O-N 2.79Å; L382-G384 PolarHBondContact O-N 3.17Å; G384-E386 PolarHBondContact O-N 3.2Å
385	S	75.3	Confident	82.2	Confident	38 Å²	38	63.4 Å²	63.4	27%	0.266	33%	0.327	S	S	.	.			trans	-59.2	130.4	173.4	-75.5	0	0	0	0	111.5	L380	L380-S385 WeakPolarHBondContact O-CB 2.98Å; L380-S385 PolarHBondContact O-N 3.02Å
386	E	79.4	Confident	82	Confident	28 Å²	28	68.1 Å²	68.1	13%	0.131	34%	0.342	C	S	.	.			trans	-66.8	130.4	-178.9	-62.2	-146.2	137.2	0	0	111.4	F91 R92 S93 G384 V388 I389 L390	F91-E386 VanDerWaalsContact O-OE1 3.13Å; R92-E386 IonicContact CZ-OE1 3.88Å; R92-E386 IonicContact NE-OE1 2.99Å; R92-E386 IonicContact NH1-OE1 2.72Å; R92-E386 PolarHBondContact NH1-OE1 3.33Å; S93-E386 PolarHBondContact N-OE2 3.09Å; S93-E386 PolarHBondContact OG-OE2 2.75Å; S93-E386 VanDerWaalsContact OG-OE2 3.07Å; G384-E386 PolarHBondContact O-N 3.2Å; E386-V388 PolarHBondContact O-N 3.22Å; E386-V388 VanDerWaalsContact O-N 3.07Å; E386-I389 HydrophobicContact CB-CD1 4.17Å; E386-I389 HydrophobicContact CB-CG1 4.24Å; E386-I389 WeakPolarHBondContact O-CB 3.35Å; E386-I389 PolarHBondContact O-N 3.45Å; E386-L390 PolarHBondContact O-N 3Å
387	P	89.5	Confident	81.7	Confident	92 Å²	92	70.6 Å²	70.6	60%	0.597	35%	0.353	S	S	*	.	H	α-helix	trans	-56.5	-26.9	177.3	-28.2	35.8	0	0	0	114.2	I389 L390 L391	P387-I389 VanDerWaalsContact C-N 3.34Å; P387-I389 PolarHBondContact O-N 3.46Å; P387-L390 PolarHBondContact O-N 3.05Å; P387-L391 WeakPolarHBondContact O-CB 3.4Å; P387-L391 VanDerWaalsContact O-CG 3.27Å; P387-L391 WeakPolarHBondContact O-CG 3.34Å; P387-L391 PolarHBondContact O-N 3.37Å
388	V	84.1	Confident	81.4	Confident	38 Å²	38	72.1 Å²	72.1	23%	0.23	36%	0.361	C	S	.	.	H	α-helix	trans	-61.2	-41.8	175.2	178.9	0	0	0	0	111.3	E386 L391 R392	E386-V388 PolarHBondContact O-N 3.22Å; E386-V388 VanDerWaalsContact O-N 3.07Å; V388-L391 PolarHBondContact O-N 2.96Å; V388-R392 HydrophobicContact CG1-CG 4.38Å; V388-R392 WeakPolarHBondContact O-CB 3.39Å; V388-R392 VanDerWaalsContact O-CG 3.31Å; V388-R392 WeakPolarHBondContact O-CG 3.41Å; V388-R392 PolarHBondContact O-N 3.41Å
389	I	80.3	Confident	81.1	Confident	67 Å²	67	71.1 Å²	71.1	34%	0.344	36%	0.359	S	S	.	.	H	α-helix	trans	-64.1	-45.5	177.5	-59.8	171.7	0	0	0	109.6	P358 E386 P387 L391 R392 T393	P358-I389 HydrophobicContact CG-CG2 3.93Å; E386-I389 HydrophobicContact CB-CD1 4.17Å; E386-I389 HydrophobicContact CB-CG1 4.24Å; E386-I389 WeakPolarHBondContact O-CB 3.35Å; E386-I389 PolarHBondContact O-N 3.45Å; P387-I389 VanDerWaalsContact C-N 3.34Å; P387-I389 PolarHBondContact O-N 3.46Å; I389-L391 VanDerWaalsContact C-N 3.35Å; I389-L391 PolarHBondContact O-N 3.07Å; I389-R392 PolarHBondContact O-N 3.24Å; I389-T393 PolarHBondContact O-N 2.9Å; I389-T393 PolarHBondContact O-OG1 2.88Å
390	L	88.9	Confident	80.7	Confident	14 Å²	14	73.8 Å²	73.8	7%	0.073	37%	0.374	C	S	.	.	H	α-helix	trans	-60	-44.9	177.3	-52.8	-172.3	0	0	0	111.4	P358 W361 L377 L380 E386 P387 L394	P358-L390 HydrophobicContact CB-CD2 3.77Å; P358-L390 HydrophobicContact CG-CD2 3.78Å; W361-L390 HydrophobicContact CE3-CB 4.25Å; W361-L390 HydrophobicContact CZ3-CB 3.83Å; L377-L390 HydrophobicContact CD1-CD1 3.73Å; L380-L390 HydrophobicContact CD1-CD2 3.92Å; E386-L390 PolarHBondContact O-N 3Å; P387-L390 PolarHBondContact O-N 3.05Å; L390-L394 WeakPolarHBondContact O-CB 3.44Å; L390-L394 PolarHBondContact O-N 3.27Å
391	L	90.7	Very high	80.4	Confident	109 Å²	109	76.8 Å²	76.8	57%	0.571	39%	0.389	S	S	*	.	H	α-helix	trans	-63.5	-42	176.8	-73.1	170.2	0	0	0	112.4	P387 V388 I389 Q395	P387-L391 WeakPolarHBondContact O-CB 3.4Å; P387-L391 VanDerWaalsContact O-CG 3.27Å; P387-L391 WeakPolarHBondContact O-CG 3.34Å; P387-L391 PolarHBondContact O-N 3.37Å; V388-L391 PolarHBondContact O-N 2.96Å; I389-L391 VanDerWaalsContact C-N 3.35Å; I389-L391 PolarHBondContact O-N 3.07Å; L391-Q395 WeakPolarHBondContact O-CB 3.37Å; L391-Q395 PolarHBondContact O-N 3.04Å
392	R	78	Confident	80	Confident	86 Å²	86	71 Å²	71	33%	0.325	37%	0.373	S	S	.	.	H	α-helix	trans	-67.2	-44.3	178.1	-72.7	-75.4	98.3	100.1	4.9	112	E65 V388 I389 Q395 R396	E65-R392 IonicContact OE1-CZ 2.81Å; E65-R392 IonicContact OE1-NH1 3.08Å; E65-R392 PolarHBondContact OE1-NH1 3.04Å; E65-R392 IonicContact OE2-CZ 3.69Å; E65-R392 IonicContact OE2-NH1 3.2Å; E65-R392 PolarHBondContact OE2-NH1 3.31Å; V388-R392 HydrophobicContact CG1-CG 4.38Å; V388-R392 WeakPolarHBondContact O-CB 3.39Å; V388-R392 VanDerWaalsContact O-CG 3.31Å; V388-R392 WeakPolarHBondContact O-CG 3.41Å; V388-R392 PolarHBondContact O-N 3.41Å; I389-R392 PolarHBondContact O-N 3.24Å; R392-Q395 VanDerWaalsContact CZ-OE1 3.28Å; R392-Q395 PolarHBondContact O-N 3.3Å; R392-R396 PolarHBondContact O-N 2.84Å
393	T	79.3	Confident	79.7	Confident	21 Å²	21	69.1 Å²	69.1	13%	0.129	36%	0.364	C	S	.	.	H	α-helix	trans	-64.6	-46.8	176.9	-56.9	0	0	0	0	111.3	P358 F359 V362 I389 Q395 R396	P358-T393 HydrophobicContact CB-CG2 4.34Å; F359-T393 HydrophobicContact CD1-CG2 3.81Å; F359-T393 HydrophobicContact CE1-CG2 3.72Å; F359-T393 HydrophobicContact CG-CG2 4.43Å; F359-T393 HydrophobicContact CZ-CG2 4.27Å; V362-T393 HydrophobicContact CG2-CG2 4.05Å; I389-T393 PolarHBondContact O-N 2.9Å; I389-T393 PolarHBondContact O-OG1 2.88Å; T393-Q395 PolarHBondContact O-N 3.44Å; T393-R396 PolarHBondContact O-N 2.91Å
394	L	91.3	Very high	79.5	Confident	45 Å²	45	68 Å²	68	24%	0.236	36%	0.36	C	S	.	.	H	α-helix	trans	-63.9	-38.7	175.5	177.9	60.5	0	0	0	112.3	W361 V362 L365 L390 R396 E397 L398	W361-L394 HydrophobicContact CH2-CB 4.49Å; W361-L394 HydrophobicContact CH2-CD2 3.72Å; W361-L394 HydrophobicContact CZ3-CB 3.91Å; W361-L394 HydrophobicContact CZ3-CD2 3.99Å; V362-L394 HydrophobicContact CG2-CB 4.14Å; V362-L394 HydrophobicContact CG2-CD1 4.3Å; L365-L394 HydrophobicContact CD1-CD1 3.94Å; L365-L394 HydrophobicContact CD1-CD2 4.41Å; L390-L394 WeakPolarHBondContact O-CB 3.44Å; L390-L394 PolarHBondContact O-N 3.27Å; L394-R396 VanDerWaalsContact C-N 3.3Å; L394-R396 PolarHBondContact O-N 3.37Å; L394-E397 PolarHBondContact O-N 3.02Å; L394-L398 WeakPolarHBondContact O-CB 3.32Å; L394-L398 PolarHBondContact O-N 2.81Å
395	Q	86	Confident	79.3	Confident	79 Å²	79	70.1 Å²	70.1	37%	0.369	35%	0.353	S	S	.	.	H	α-helix	trans	-60.2	-38	178.4	173	-177.7	-21.4	0	0	112.3	L391 R392 T393 L399	L391-Q395 WeakPolarHBondContact O-CB 3.37Å; L391-Q395 PolarHBondContact O-N 3.04Å; R392-Q395 VanDerWaalsContact CZ-OE1 3.28Å; R392-Q395 PolarHBondContact O-N 3.3Å; T393-Q395 PolarHBondContact O-N 3.44Å; Q395-L399 HydrophobicContact CG-CD1 3.67Å; Q395-L399 HydrophobicContact CG-CG 4.12Å; Q395-L399 VanDerWaalsContact O-CB 3.31Å; Q395-L399 WeakPolarHBondContact O-CB 3.47Å; Q395-L399 VanDerWaalsContact O-CG 3.23Å; Q395-L399 WeakPolarHBondContact O-CG 3.42Å; Q395-L399 PolarHBondContact O-N 2.77Å
396	R	72.1	Confident	79.3	Confident	188 Å²	188	77.2 Å²	77.2	71%	0.709	37%	0.374	S	S	*	.	H	α-helix	trans	-58.5	-55.2	179.3	-173.2	-178	178.2	157.4	0.2	110.9	R392 T393 L394 L399 L400	R392-R396 PolarHBondContact O-N 2.84Å; T393-R396 PolarHBondContact O-N 2.91Å; L394-R396 VanDerWaalsContact C-N 3.3Å; L394-R396 PolarHBondContact O-N 3.37Å; R396-L399 PolarHBondContact O-N 2.86Å; R396-L400 PolarHBondContact O-N 3.12Å; R396-L400 VanDerWaalsContact O-N 3.16Å
397	E	76.6	Confident	78.7	Confident	52 Å²	52	80 Å²	80	24%	0.243	39%	0.387	C	S	.	.	H	α-helix	trans	-72.1	-35.2	-178.3	-54	-43	123	0	0	112.2	V362 L394 L400 L401	V362-E397 HydrophobicContact CG1-CB 4.06Å; V362-E397 HydrophobicContact CG1-CG 3.83Å; L394-E397 PolarHBondContact O-N 3.02Å; E397-L400 WeakPolarHBondContact O-CB 3.41Å; E397-L400 PolarHBondContact O-N 2.73Å; E397-L401 WeakPolarHBondContact O-CB 3.37Å; E397-L401 WeakPolarHBondContact O-CG 3.22Å; E397-L401 PolarHBondContact O-N 2.98Å
398	L	83	Confident	78	Confident	94 Å²	94	77.1 Å²	77.1	49%	0.492	37%	0.369	S	S	.	.	H	α-helix	trans	-66.7	-37.5	176.4	-175.7	60.7	0	0	0	112.2	L394 V402	L394-L398 WeakPolarHBondContact O-CB 3.32Å; L394-L398 PolarHBondContact O-N 2.81Å; L398-V402 HydrophobicContact CD1-CG2 4.42Å; L398-V402 WeakPolarHBondContact O-CB 3.46Å; L398-V402 WeakPolarHBondContact O-CG2 3.37Å; L398-V402 PolarHBondContact O-N 3.28Å
399	L	77.8	Confident	77.4	Confident	89 Å²	89	78.8 Å²	78.8	47%	0.466	39%	0.386	S	S	.	.	H	α-helix	trans	-69	-38.8	174.6	-73.7	175.2	0	0	0	111.9	Q395 R396 V402 N403	Q395-L399 HydrophobicContact CG-CD1 3.67Å; Q395-L399 HydrophobicContact CG-CG 4.12Å; Q395-L399 VanDerWaalsContact O-CB 3.31Å; Q395-L399 WeakPolarHBondContact O-CB 3.47Å; Q395-L399 VanDerWaalsContact O-CG 3.23Å; Q395-L399 WeakPolarHBondContact O-CG 3.42Å; Q395-L399 PolarHBondContact O-N 2.77Å; R396-L399 PolarHBondContact O-N 2.86Å; L399-V402 PolarHBondContact O-N 2.89Å; L399-N403 WeakPolarHBondContact O-CB 3.47Å; L399-N403 PolarHBondContact O-N 3.05Å
400	L	71	Confident	76.7	Confident	92 Å²	92	83.9 Å²	83.9	48%	0.482	41%	0.408	S	S	.	.	H	α-helix	trans	-58.3	-51.4	172.1	178.7	60.4	0	0	0	110.9	R396 E397 V402 N403 L404	R396-L400 PolarHBondContact O-N 3.12Å; R396-L400 VanDerWaalsContact O-N 3.16Å; E397-L400 WeakPolarHBondContact O-CB 3.41Å; E397-L400 PolarHBondContact O-N 2.73Å; L400-V402 PolarHBondContact O-N 2.73Å; L400-N403 PolarHBondContact O-N 3.22Å; L400-L404 HydrophobicContact CD1-CD1 4.39Å; L400-L404 HydrophobicContact CG-CD1 4.34Å; L400-L404 WeakPolarHBondContact O-CG 3.4Å; L400-L404 PolarHBondContact O-N 2.8Å
401	L	76.8	Confident	74.9	Confident	63 Å²	63	84.3 Å²	84.3	33%	0.33	41%	0.412	S	S	.	.	H	α-helix	trans	-60.8	-41	175.9	-73.9	-179.9	0	0	0	113.1	L366 E397 N403 L404 K405	L366-L401 HydrophobicContact CD2-CD1 3.59Å; E397-L401 WeakPolarHBondContact O-CB 3.37Å; E397-L401 WeakPolarHBondContact O-CG 3.22Å; E397-L401 PolarHBondContact O-N 2.98Å; L401-N403 VanDerWaalsContact C-N 3.35Å; L401-N403 PolarHBondContact O-N 2.9Å; L401-L404 PolarHBondContact O-N 2.91Å; L401-K405 WeakPolarHBondContact O-CB 3.12Å; L401-K405 PolarHBondContact O-N 2.98Å
402	V	77.2	Confident	73.1	Confident	54 Å²	54	83.6 Å²	83.6	33%	0.327	41%	0.413	S	S	.	.	H	α-helix	trans	-64.5	-39.3	177.5	164.4	0	0	0	0	111.3	L398 L399 L400 R406	L398-V402 HydrophobicContact CD1-CG2 4.42Å; L398-V402 WeakPolarHBondContact O-CB 3.46Å; L398-V402 WeakPolarHBondContact O-CG2 3.37Å; L398-V402 PolarHBondContact O-N 3.28Å; L399-V402 PolarHBondContact O-N 2.89Å; L400-V402 PolarHBondContact O-N 2.73Å; V402-R406 HydrophobicContact CG1-CG 4.39Å; V402-R406 VanDerWaalsContact O-CB 3.32Å; V402-R406 WeakPolarHBondContact O-CB 3.28Å; V402-R406 WeakPolarHBondContact O-CG 3.37Å; V402-R406 PolarHBondContact O-N 2.76Å
403	N	67.7	Low	71.8	Confident	77 Å²	77	82.2 Å²	82.2	41%	0.412	41%	0.412	S	S	.	.	H	α-helix	trans	-64.9	-51.5	175.6	-78.1	-15.7	0	0	0	111.2	L399 L400 L401 K405 R406 Q407	L399-N403 WeakPolarHBondContact O-CB 3.47Å; L399-N403 PolarHBondContact O-N 3.05Å; L400-N403 PolarHBondContact O-N 3.22Å; L401-N403 VanDerWaalsContact C-N 3.35Å; L401-N403 PolarHBondContact O-N 2.9Å; N403-K405 VanDerWaalsContact C-N 3.33Å; N403-K405 PolarHBondContact O-N 2.85Å; N403-R406 PolarHBondContact O-N 2.77Å; N403-Q407 VanDerWaalsContact O-CG 3.27Å; N403-Q407 WeakPolarHBondContact O-CG 3.45Å; N403-Q407 PolarHBondContact O-N 3.44Å
404	L	67	Low	70.1	Confident	43 Å²	43	90.2 Å²	90.2	23%	0.225	44%	0.44	C	S	.	.	H	α-helix	trans	-56.1	-46.3	175.6	-67.8	173.6	0	0	0	111.6	L400 L401 Q407 S408 F417	L400-L404 HydrophobicContact CD1-CD1 4.39Å; L400-L404 HydrophobicContact CG-CD1 4.34Å; L400-L404 WeakPolarHBondContact O-CG 3.4Å; L400-L404 PolarHBondContact O-N 2.8Å; L401-L404 PolarHBondContact O-N 2.91Å; L404-Q407 PolarHBondContact O-N 3.05Å; L404-S408 WeakPolarHBondContact O-CB 3.33Å; L404-S408 PolarHBondContact O-N 2.97Å; L404-F417 HydrophobicContact CD1-CE1 4.32Å; L404-F417 HydrophobicContact CD2-CE1 3.92Å
405	K	74.1	Confident	68	Low	103 Å²	103	89.9 Å²	89.9	45%	0.448	44%	0.444	S	S	.	.	H	α-helix	trans	-66.9	-40.4	-178.9	-165.6	63.2	170.4	-175.4	0	112.5	L401 N403 S408 I828	L401-K405 WeakPolarHBondContact O-CB 3.12Å; L401-K405 PolarHBondContact O-N 2.98Å; N403-K405 VanDerWaalsContact C-N 3.33Å; N403-K405 PolarHBondContact O-N 2.85Å; K405-S408 PolarHBondContact O-N 3.46Å; K405-S408 PolarHBondContact O-OG 3.45Å; K405-I828 HydrophobicContact CD-CD1 3.79Å; K405-I828 HydrophobicContact CG-CD1 4.44Å
406	R	75.4	Confident	66.5	Low	188 Å²	188	86.2 Å²	86.2	71%	0.709	43%	0.427	S	S	*	.	H	α-helix	trans	-61.2	-48.8	174.9	-80	173.9	174.3	-151.3	-2.4	111.8	V402 N403 S408 A409	V402-R406 HydrophobicContact CG1-CG 4.39Å; V402-R406 VanDerWaalsContact O-CB 3.32Å; V402-R406 WeakPolarHBondContact O-CB 3.28Å; V402-R406 WeakPolarHBondContact O-CG 3.37Å; V402-R406 PolarHBondContact O-N 2.76Å; N403-R406 PolarHBondContact O-N 2.77Å; R406-S408 PolarHBondContact O-N 3.3Å; R406-A409 PolarHBondContact O-N 2.98Å
407	Q	66	Low	65.5	Low	87 Å²	87	79.3 Å²	79.3	41%	0.407	40%	0.402	S	S	.	.	H	α-helix	trans	-63.9	-30.1	179	-62.9	173	0.4	0	0	111.4	N403 L404 A409 H410 T411 L416	N403-Q407 VanDerWaalsContact O-CG 3.27Å; N403-Q407 WeakPolarHBondContact O-CG 3.45Å; N403-Q407 PolarHBondContact O-N 3.44Å; L404-Q407 PolarHBondContact O-N 3.05Å; Q407-A409 PolarHBondContact O-N 3.07Å; Q407-A409 VanDerWaalsContact O-N 3.13Å; Q407-H410 PolarHBondContact O-N 3.24Å; Q407-H410 VanDerWaalsContact O-N 3.11Å; Q407-T411 PolarHBondContact O-N 2.82Å; Q407-L416 HydrophobicContact CB-CD1 3.65Å; Q407-L416 HydrophobicContact CB-CD2 3.53Å; Q407-L416 HydrophobicContact CB-CG 4.24Å
408	S	74.6	Confident	64.3	Low	31 Å²	31	77.9 Å²	77.9	22%	0.217	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.3	-176.4	76.1	0	0	0	0	114.8	L404 K405 R406 H410 T411	L404-S408 WeakPolarHBondContact O-CB 3.33Å; L404-S408 PolarHBondContact O-N 2.97Å; K405-S408 PolarHBondContact O-N 3.46Å; K405-S408 PolarHBondContact O-OG 3.45Å; R406-S408 PolarHBondContact O-N 3.3Å; S408-H410 VanDerWaalsContact C-N 3.28Å; S408-H410 PolarHBondContact O-N 2.81Å; S408-T411 CarbonylContact C-O 3.56Å; S408-T411 WeakPolarHBondContact CA-O 3.15Å
409	A	72.3	Confident	62.9	Low	72 Å²	72	77.8 Å²	77.8	60%	0.595	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-18.7	174.6	0	0	0	0	0	113.6	R406 Q407	R406-A409 PolarHBondContact O-N 2.98Å; Q407-A409 PolarHBondContact O-N 3.07Å; Q407-A409 VanDerWaalsContact O-N 3.13Å
410	H	65.4	Low	62.2	Low	175 Å²	175	75.1 Å²	75.1	81%	0.81	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.3	0.1	-173.8	-60.1	-13	0	0	0	113.5	Q407 S408	Q407-H410 PolarHBondContact O-N 3.24Å; Q407-H410 VanDerWaalsContact O-N 3.11Å; S408-H410 VanDerWaalsContact C-N 3.28Å; S408-H410 PolarHBondContact O-N 2.81Å
411	T	49.9	Very low	62.3	Low	23 Å²	23	74.1 Å²	74.1	14%	0.141	37%	0.366	C	S	.	.	S	Bend	trans	-151.6	129.3	173.9	-61.5	0	0	0	0	106.5	Q407 S408 A415 L416 K419	Q407-T411 PolarHBondContact O-N 2.82Å; S408-T411 CarbonylContact C-O 3.56Å; S408-T411 WeakPolarHBondContact CA-O 3.15Å; T411-A415 VanDerWaalsContact CG2-C 3.45Å; T411-A415 HydrophobicContact CG2-CB 3.55Å; T411-A415 WeakPolarHBondContact CG2-O 3.32Å; T411-L416 HydrophobicContact CG2-CD2 3.72Å; T411-L416 HydrophobicContact CG2-CG 3.99Å; T411-K419 HydrophobicContact CG2-CD 4.3Å; T411-K419 PolarHBondContact OG1-NZ 3.11Å
412	P	52.7	Low	62.9	Low	93 Å²	93	71.1 Å²	71.1	60%	0.604	35%	0.351	S	S	*	.			trans	-51.7	144	177.3	-26.9	33.6	0	0	0	111.4	R414 A415 L416	P412-R414 PolarHBondContact O-N 2.82Å; P412-R414 VanDerWaalsContact O-N 3.16Å; P412-A415 HydrophobicContact CB-CB 4.29Å; P412-A415 HydrophobicContact CG-CB 4.47Å; P412-A415 CarbonylContact O-C 3.54Å; P412-A415 VanDerWaalsContact O-CA 3.31Å; P412-A415 WeakPolarHBondContact O-CA 3.31Å; P412-A415 WeakPolarHBondContact O-CB 3.45Å; P412-A415 PolarHBondContact O-N 2.78Å; P412-L416 PolarHBondContact O-N 2.77Å
413	L	50.8	Low	63.7	Low	57 Å²	57	68.6 Å²	68.6	30%	0.298	34%	0.335	S	S	.	.	H	α-helix	trans	-49	-46.7	-179.8	-85.6	158	0	0	0	112.1	A415 L416 F417	L413-A415 VanDerWaalsContact C-N 3.26Å; L413-A415 PolarHBondContact O-N 3.29Å; L413-L416 HydrophobicContact CD2-CD1 4.41Å; L413-L416 WeakPolarHBondContact O-CB 3.45Å; L413-L416 PolarHBondContact O-N 3.07Å; L413-F417 HydrophobicContact CB-CD2 4.48Å; L413-F417 HydrophobicContact CB-CE2 4.02Å; L413-F417 HydrophobicContact CD2-CE2 4.1Å; L413-F417 HydrophobicContact CD2-CZ 3.87Å; L413-F417 WeakPolarHBondContact O-CD2 3.38Å; L413-F417 VanDerWaalsContact O-CG 3.25Å; L413-F417 WeakPolarHBondContact O-CG 3.43Å; L413-F417 PolarHBondContact O-N 3.32Å
414	R	45.1	Very low	65	Low	190 Å²	190	65.9 Å²	65.9	72%	0.717	32%	0.32	S	S	*	.	H	α-helix	trans	-51.5	-41.6	172.1	-177.3	176.4	-178.3	170	6.3	113.5	P412 D418	P412-R414 PolarHBondContact O-N 2.82Å; P412-R414 VanDerWaalsContact O-N 3.16Å; R414-D418 WeakPolarHBondContact CG-OD2 3.41Å; R414-D418 IonicContact NE-OD2 3.23Å; R414-D418 WeakPolarHBondContact O-CB 3.31Å; R414-D418 PolarHBondContact O-N 3.11Å
415	A	47.1	Very low	66.1	Low	38 Å²	38	65 Å²	65	31%	0.314	32%	0.321	S	S	.	.	H	α-helix	trans	-85.1	-7.8	-179.9	0	0	0	0	0	114.4	T411 P412 L413 K419	T411-A415 VanDerWaalsContact CG2-C 3.45Å; T411-A415 HydrophobicContact CG2-CB 3.55Å; T411-A415 WeakPolarHBondContact CG2-O 3.32Å; P412-A415 HydrophobicContact CB-CB 4.29Å; P412-A415 HydrophobicContact CG-CB 4.47Å; P412-A415 CarbonylContact O-C 3.54Å; P412-A415 VanDerWaalsContact O-CA 3.31Å; P412-A415 WeakPolarHBondContact O-CA 3.31Å; P412-A415 WeakPolarHBondContact O-CB 3.45Å; P412-A415 PolarHBondContact O-N 2.78Å; L413-A415 VanDerWaalsContact C-N 3.26Å; L413-A415 PolarHBondContact O-N 3.29Å; A415-K419 VanDerWaalsContact O-CB 3.25Å; A415-K419 WeakPolarHBondContact O-CB 3.45Å; A415-K419 WeakPolarHBondContact O-CG 3.44Å; A415-K419 PolarHBondContact O-N 3.27Å
416	L	54.1	Low	66.8	Low	2 Å²	2	60.9 Å²	60.9	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-81.7	-43.1	163.7	-67.8	177.7	0	0	0	111.2	Q407 T411 P412 L413 K419 H420	Q407-L416 HydrophobicContact CB-CD1 3.65Å; Q407-L416 HydrophobicContact CB-CD2 3.53Å; Q407-L416 HydrophobicContact CB-CG 4.24Å; T411-L416 HydrophobicContact CG2-CD2 3.72Å; T411-L416 HydrophobicContact CG2-CG 3.99Å; P412-L416 PolarHBondContact O-N 2.77Å; L413-L416 HydrophobicContact CD2-CD1 4.41Å; L413-L416 WeakPolarHBondContact O-CB 3.45Å; L413-L416 PolarHBondContact O-N 3.07Å; L416-K419 HydrophobicContact CD2-CD 4.34Å; L416-K419 VanDerWaalsContact O-CB 3.31Å; L416-K419 WeakPolarHBondContact O-CB 3.42Å; L416-K419 PolarHBondContact O-N 2.97Å; L416-H420 PolarHBondContact O-CE1 3.43Å; L416-H420 VanDerWaalsContact O-CE1 3.26Å; L416-H420 PolarHBondContact O-ND1 3.23Å
417	F	51.3	Low	67.4	Low	42 Å²	42	53.2 Å²	53.2	18%	0.184	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-57.2	172	-60	-36	0	0	0	108.9	L404 L413 K419 H420 T449	L404-F417 HydrophobicContact CD1-CE1 4.32Å; L404-F417 HydrophobicContact CD2-CE1 3.92Å; L413-F417 HydrophobicContact CB-CD2 4.48Å; L413-F417 HydrophobicContact CB-CE2 4.02Å; L413-F417 HydrophobicContact CD2-CE2 4.1Å; L413-F417 HydrophobicContact CD2-CZ 3.87Å; L413-F417 WeakPolarHBondContact O-CD2 3.38Å; L413-F417 VanDerWaalsContact O-CG 3.25Å; L413-F417 WeakPolarHBondContact O-CG 3.43Å; L413-F417 PolarHBondContact O-N 3.32Å; F417-K419 PolarHBondContact O-N 2.89Å; F417-H420 PolarHBondContact O-N 3.37Å; F417-T449 VanDerWaalsContact CA-OG1 3.25Å; F417-T449 WeakPolarHBondContact CA-OG1 3.5Å; F417-T449 HydrophobicContact CB-CG2 3.73Å; F417-T449 VanDerWaalsContact CB-OG1 3.23Å; F417-T449 WeakPolarHBondContact CB-OG1 3.3Å; F417-T449 HydrophobicContact CD1-CG2 3.78Å; F417-T449 HydrophobicContact CG-CG2 4.09Å; F417-T449 PolarHBondContact O-OG1 3.45Å
418	D	50.5	Low	68.5	Low	23 Å²	23	49.2 Å²	49.2	12%	0.123	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	0.6	175.5	-74.4	-42.3	0	0	0	115	R414 R421 R450	R414-D418 WeakPolarHBondContact CG-OD2 3.41Å; R414-D418 IonicContact NE-OD2 3.23Å; R414-D418 WeakPolarHBondContact O-CB 3.31Å; R414-D418 PolarHBondContact O-N 3.11Å; D418-R421 VanDerWaalsContact O-CG 3.3Å; D418-R421 WeakPolarHBondContact O-CG 3.45Å; D418-R421 PolarHBondContact O-NE 3.01Å; D418-R450 IonicContact OD1-CZ 3.84Å; D418-R450 IonicContact OD1-NH1 3.92Å; D418-R450 PolarHBondContact OD1-NH1 3.38Å; D418-R450 IonicContact OD2-NH1 2.71Å
419	K	54.9	Low	69.2	Low	92 Å²	92	48.7 Å²	48.7	40%	0.4	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-31.5	178.5	-123.9	170.4	-176.5	173.8	0	112.8	T411 A415 L416 F417 R421	T411-K419 HydrophobicContact CG2-CD 4.3Å; T411-K419 PolarHBondContact OG1-NZ 3.11Å; A415-K419 VanDerWaalsContact O-CB 3.25Å; A415-K419 WeakPolarHBondContact O-CB 3.45Å; A415-K419 WeakPolarHBondContact O-CG 3.44Å; A415-K419 PolarHBondContact O-N 3.27Å; L416-K419 HydrophobicContact CD2-CD 4.34Å; L416-K419 VanDerWaalsContact O-CB 3.31Å; L416-K419 WeakPolarHBondContact O-CB 3.42Å; L416-K419 PolarHBondContact O-N 2.97Å; F417-K419 PolarHBondContact O-N 2.89Å; K419-R421 PolarHBondContact O-N 2.98Å
420	H	61.4	Low	70.1	Confident	32 Å²	32	46.1 Å²	46.1	15%	0.148	24%	0.235	C	C	.	.	S	Bend	trans	-95	79.6	-176.1	-48.4	112.1	0	0	0	109.2	L416 F417 L448 H578	L416-H420 PolarHBondContact O-CE1 3.43Å; L416-H420 VanDerWaalsContact O-CE1 3.26Å; L416-H420 PolarHBondContact O-ND1 3.23Å; F417-H420 PolarHBondContact O-N 3.37Å; H420-L448 HydrophobicContact CB-CD2 4.08Å; H420-L448 WeakPolarHBondContact O-CD2 3.37Å; H420-H578 AromaticContact CD2-CE1 3.81Å; H420-H578 AromaticContact CD2-CG 3.69Å; H420-H578 AromaticContact CD2-ND1 3.18Å; H420-H578 PolarHBondContact CD2-ND1 2.99Å; H420-H578 AromaticContact CG-CE1 3.97Å; H420-H578 AromaticContact CG-ND1 3.76Å
421	R	73.8	Confident	71.3	Confident	72 Å²	72	38 Å²	38	27%	0.272	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	112.3	-172.8	-64.4	-172.9	174.8	-148	-15.5	111.2	D418 K419 L518 A519	D418-R421 VanDerWaalsContact O-CG 3.3Å; D418-R421 WeakPolarHBondContact O-CG 3.45Å; D418-R421 PolarHBondContact O-NE 3.01Å; K419-R421 PolarHBondContact O-N 2.98Å; R421-L518 HydrophobicContact CB-CD1 4.26Å; R421-A519 PolarHBondContact O-N 2.93Å; R421-A519 VanDerWaalsContact O-N 3.07Å
422	A	90.1	Very high	73.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	146.7	166.1	0	0	0	0	0	111.6	L448 R450 V451 T452 A519 I521	A422-L448 HydrophobicContact CB-CD1 3.55Å; A422-L448 HydrophobicContact CB-CD2 3.83Å; A422-L448 HydrophobicContact CB-CG 4.3Å; A422-R450 PolarHBondContact N-O 3.2Å; A422-V451 HydrophobicContact CB-CG1 4.5Å; A422-V451 HydrophobicContact CB-CG2 4.35Å; A422-V451 CarbonylContact O-C 3.56Å; A422-V451 WeakPolarHBondContact O-CA 3.35Å; A422-T452 PolarHBondContact O-N 2.88Å; A422-A519 CarbonylContact C-O 3.53Å; A422-A519 WeakPolarHBondContact CA-O 3.28Å; A422-A519 HydrophobicContact CB-CB 4.31Å; A422-I521 HydrophobicContact CB-CD1 3.62Å; A422-I521 HydrophobicContact CB-CG1 4.05Å
423	L	93.9	Very high	74.9	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.1	176.7	-56.2	-179.3	0	0	0	108.3	T452 I454 L505 W508 L518 A519 F520 I521	L423-T452 CarbonylContact C-O 3.41Å; L423-T452 WeakPolarHBondContact CA-O 3.21Å; L423-I454 HydrophobicContact CB-CD1 4.07Å; L423-I454 HydrophobicContact CD1-CD1 4.17Å; L423-I454 HydrophobicContact CD2-CD1 4.32Å; L423-I454 HydrophobicContact CG-CD1 4.41Å; L423-L505 HydrophobicContact CD1-CD2 3.61Å; L423-W508 HydrophobicContact CD1-CB 4.09Å; L423-W508 HydrophobicContact CD1-CD2 3.71Å; L423-W508 HydrophobicContact CD1-CE3 4.17Å; L423-W508 HydrophobicContact CD1-CG 3.64Å; L423-W508 HydrophobicContact CD2-CD2 3.84Å; L423-W508 HydrophobicContact CD2-CE3 3.9Å; L423-W508 HydrophobicContact CD2-CH2 3.78Å; L423-W508 HydrophobicContact CD2-CZ2 3.69Å; L423-W508 HydrophobicContact CD2-CZ3 3.88Å; L423-W508 HydrophobicContact CG-CD2 4.41Å; L423-L518 HydrophobicContact CD1-CD1 3.89Å; L423-L518 HydrophobicContact CD1-CD2 4.21Å; L423-L518 HydrophobicContact CD1-CG 4.27Å; L423-L518 HydrophobicContact CG-CD1 3.99Å; L423-A519 PolarHBondContact N-O 2.9Å; L423-F520 HydrophobicContact CB-CD2 4Å; L423-F520 CarbonylContact O-C 3.57Å; L423-F520 WeakPolarHBondContact O-CA 3.48Å; L423-F520 WeakPolarHBondContact O-CD2 3.38Å; L423-I521 PolarHBondContact O-N 3.27Å
424	F	93.9	Very high	76.6	Confident	21 Å²	21	32.3 Å²	32.3	9%	0.092	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	95.7	-177.5	-178.3	-146.1	0	0	0	110.1	F428 H435 V439 V451 T452 I453 I454 I521	F424-F428 HydrophobicContact CD1-CE1 4.17Å; F424-F428 AromaticContact CD1-CZ 3.94Å; F424-F428 HydrophobicContact CD1-CZ 3.94Å; F424-F428 AromaticContact CE1-CE1 3.72Å; F424-F428 HydrophobicContact CE1-CE1 3.72Å; F424-F428 AromaticContact CE1-CZ 3.91Å; F424-F428 HydrophobicContact CE1-CZ 3.91Å; F424-F428 HydrophobicContact CG-CZ 4.34Å; F424-F428 HydrophobicContact CZ-CE1 4.1Å; F424-F428 HydrophobicContact CZ-CZ 4.28Å; F424-H435 HydrophobicContact CE1-CB 4.14Å; F424-H435 WeakPolarHBondContact CE1-O 3.32Å; F424-H435 HydrophobicContact CZ-CB 4.28Å; F424-V439 HydrophobicContact CD1-CG2 3.99Å; F424-V439 HydrophobicContact CD2-CG2 4.43Å; F424-V439 HydrophobicContact CE1-CG2 3.74Å; F424-V439 HydrophobicContact CE2-CG2 4.21Å; F424-V439 HydrophobicContact CG-CG2 4.33Å; F424-V439 HydrophobicContact CZ-CG2 3.86Å; F424-V451 HydrophobicContact CB-CG1 3.71Å; F424-T452 PolarHBondContact N-O 2.85Å; F424-I453 HydrophobicContact CD1-CG1 4.44Å; F424-I453 WeakPolarHBondContact O-CA 3.47Å; F424-I454 PolarHBondContact O-N 3Å; F424-I521 HydrophobicContact CB-CB 4.38Å; F424-I521 HydrophobicContact CB-CD1 4.45Å; F424-I521 HydrophobicContact CD2-CB 3.96Å; F424-I521 HydrophobicContact CD2-CG2 3.91Å; F424-I521 HydrophobicContact CE2-CG2 4.25Å; F424-I521 HydrophobicContact CG-CB 4.49Å
425	G	90.3	Very high	78.6	Confident	24 Å²	24	24.9 Å²	24.9	25%	0.247	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	142.6	-179.3	0	0	0	0	0	112.7	I454	G425-I454 WeakPolarHBondContact CA-O 3.47Å
426	G	88.7	Confident	80.7	Confident	17 Å²	17	23.1 Å²	23.1	18%	0.175	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179	175.7	178.8	0	0	0	0	0	113.8	F428 I454 P455 N456	G426-F428 VanDerWaalsContact C-CD2 3.47Å; G426-F428 WeakPolarHBondContact O-CD2 3.46Å; G426-I454 PolarHBondContact N-O 3.16Å; G426-I454 VanDerWaalsContact N-O 3.15Å; G426-P455 CarbonylContact O-C 3.58Å; G426-P455 WeakPolarHBondContact O-CA 3.42Å; G426-N456 VanDerWaalsContact C-ND2 3.29Å; G426-N456 VanDerWaalsContact O-CG 3.27Å; G426-N456 PolarHBondContact O-N 3.47Å; G426-N456 PolarHBondContact O-ND2 3.06Å
427	T	88.1	Confident	82.3	Confident	27 Å²	27	26.3 Å²	26.3	17%	0.166	14%	0.135	C	C	.	.			trans	-92.5	-30.3	177.7	-56.5	0	0	0	0	112.4	D429 N456 P465 R472	T427-D429 HydrophobicContact CG2-CB 4.06Å; T427-D429 PolarHBondContact O-N 3.25Å; T427-N456 WeakPolarHBondContact CA-OD1 3.32Å; T427-N456 WeakPolarHBondContact CB-OD1 3.37Å; T427-N456 VanDerWaalsContact OG1-CG 3.31Å; T427-N456 PolarHBondContact OG1-ND2 2.81Å; T427-N456 PolarHBondContact OG1-OD1 3.31Å; T427-P465 HydrophobicContact CG2-CB 3.8Å; T427-P465 HydrophobicContact CG2-CG 4.08Å; T427-R472 WeakPolarHBondContact O-CD 3.31Å; T427-R472 PolarHBondContact O-NH1 3.45Å
428	F	90.4	Very high	84	Confident	3 Å²	3	25 Å²	25	1%	0.013	13%	0.131	C	C	.	.			trans	51.2	50.2	173.4	-52.7	-71.6	0	0	0	114.1	F424 G426 P430 V431 H435 I453 P455 L476	F424-F428 HydrophobicContact CD1-CE1 4.17Å; F424-F428 AromaticContact CD1-CZ 3.94Å; F424-F428 HydrophobicContact CD1-CZ 3.94Å; F424-F428 AromaticContact CE1-CE1 3.72Å; F424-F428 HydrophobicContact CE1-CE1 3.72Å; F424-F428 AromaticContact CE1-CZ 3.91Å; F424-F428 HydrophobicContact CE1-CZ 3.91Å; F424-F428 HydrophobicContact CG-CZ 4.34Å; F424-F428 HydrophobicContact CZ-CE1 4.1Å; F424-F428 HydrophobicContact CZ-CZ 4.28Å; G426-F428 VanDerWaalsContact C-CD2 3.47Å; G426-F428 WeakPolarHBondContact O-CD2 3.46Å; F428-P430 CarbonylContact C-O 3.56Å; F428-P430 CarbonylContact O-C 3.51Å; F428-P430 VanDerWaalsContact O-C 3.31Å; F428-P430 WeakPolarHBondContact O-CA 3.5Å; F428-V431 HydrophobicContact CB-CB 4.27Å; F428-V431 HydrophobicContact CD1-CB 4.45Å; F428-V431 HydrophobicContact CD1-CG2 4.48Å; F428-V431 PolarHBondContact O-N 3.47Å; F428-H435 HydrophobicContact CD1-CB 4.32Å; F428-H435 AromaticContact CD1-CD2 3.83Å; F428-H435 AromaticContact CD1-CG 3.89Å; F428-H435 HydrophobicContact CE1-CB 4.1Å; F428-H435 AromaticContact CE1-CD2 3.66Å; F428-H435 AromaticContact CE1-CG 3.92Å; F428-I453 HydrophobicContact CD2-CG2 3.98Å; F428-I453 HydrophobicContact CE1-CG2 4.21Å; F428-I453 HydrophobicContact CE2-CG2 3.36Å; F428-I453 HydrophobicContact CZ-CG2 3.51Å; F428-P455 HydrophobicContact CD2-CB 4.1Å; F428-L476 HydrophobicContact CB-CD1 3.9Å; F428-L476 HydrophobicContact CB-CD2 4.11Å; F428-L476 HydrophobicContact CB-CG 4.1Å; F428-L476 HydrophobicContact CD1-CD2 4.17Å; F428-L476 HydrophobicContact CD2-CD1 3.87Å; F428-L476 HydrophobicContact CD2-CD2 4.44Å; F428-L476 HydrophobicContact CG-CD1 4Å; F428-L476 HydrophobicContact CG-CD2 3.98Å; F428-L476 HydrophobicContact CG-CG 4.38Å
429	D	89.5	Confident	85.9	Confident	20 Å²	20	24 Å²	24	11%	0.107	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119	78.6	-175.9	177.1	45.8	0	0	0	111.3	T427 P465 E466 A467 R472 A597 R601	T427-D429 HydrophobicContact CG2-CB 4.06Å; T427-D429 PolarHBondContact O-N 3.25Å; D429-P465 HydrophobicContact CB-CB 3.78Å; D429-P465 VanDerWaalsContact CG-CB 3.48Å; D429-P465 WeakPolarHBondContact OD2-CA 3.37Å; D429-P465 VanDerWaalsContact OD2-CB 3.31Å; D429-P465 WeakPolarHBondContact OD2-CB 3.09Å; D429-E466 PolarHBondContact OD2-N 3.02Å; D429-A467 WeakPolarHBondContact OD1-CB 3.33Å; D429-A467 PolarHBondContact OD1-N 2.73Å; D429-R472 HydrophobicContact CB-CG 4.47Å; D429-A597 WeakPolarHBondContact O-CB 3.4Å; D429-R601 VanDerWaalsContact CG-NH1 3.34Å; D429-R601 PolarHBondContact O-NH1 2.89Å; D429-R601 VanDerWaalsContact O-NH1 3.1Å; D429-R601 PolarHBondContact O-NH2 3.37Å; D429-R601 IonicContact OD1-NH1 3.6Å; D429-R601 IonicContact OD2-CZ 2.95Å; D429-R601 IonicContact OD2-NH1 3.48Å; D429-R601 PolarHBondContact OD2-NH1 3.19Å
430	P	89.6	Confident	87.4	Confident	17 Å²	17	22 Å²	22	11%	0.11	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83.6	172.6	-10.5	35.6	-35.9	0	0	0	113.1	F428 H432 M475 I600 L614	F428-P430 CarbonylContact C-O 3.56Å; F428-P430 CarbonylContact O-C 3.51Å; F428-P430 VanDerWaalsContact O-C 3.31Å; F428-P430 WeakPolarHBondContact O-CA 3.5Å; P430-H432 PolarHBondContact O-CD2 3Å; P430-M475 HydrophobicContact CB-CE 4.11Å; P430-M475 HydrophobicContact CB-SD 3.76Å; P430-I600 HydrophobicContact CG-CB 4.4Å; P430-I600 HydrophobicContact CG-CD1 4.35Å; P430-I600 HydrophobicContact CG-CG2 3.85Å; P430-L614 HydrophobicContact CG-CD2 4.41Å
431	V	91.5	Very high	88.5	Confident	6 Å²	6	22.5 Å²	22.5	4%	0.036	12%	0.123	C	C	.	.			trans	-69.4	147.9	161.5	56.8	0	0	0	0	110.1	F428 L436 M475 L476 A479 L614	F428-V431 HydrophobicContact CB-CB 4.27Å; F428-V431 HydrophobicContact CD1-CB 4.45Å; F428-V431 HydrophobicContact CD1-CG2 4.48Å; F428-V431 PolarHBondContact O-N 3.47Å; V431-L436 HydrophobicContact CG2-CD1 4.3Å; V431-L436 HydrophobicContact CG2-CD2 4.2Å; V431-L436 HydrophobicContact CG2-CG 4.15Å; V431-M475 HydrophobicContact CG1-CB 4.1Å; V431-M475 WeakPolarHBondContact CG1-O 3.41Å; V431-L476 HydrophobicContact CB-CD2 3.79Å; V431-L476 HydrophobicContact CB-CG 4.38Å; V431-L476 HydrophobicContact CG1-CD2 4.14Å; V431-L476 HydrophobicContact CG1-CG 4.41Å; V431-L476 HydrophobicContact CG2-CD2 3.81Å; V431-A479 HydrophobicContact CB-CB 4.42Å; V431-A479 HydrophobicContact CG1-CB 3.49Å; V431-A479 VanDerWaalsContact CG1-CB 3.49Å; V431-A479 HydrophobicContact CG2-CB 4.04Å; V431-L614 VanDerWaalsContact O-CD2 3.31Å; V431-L614 WeakPolarHBondContact O-CD2 3.45Å
432	H	90.4	Very high	89.1	Confident	7 Å²	7	19.1 Å²	19.1	3%	0.032	11%	0.11	C	C	.	.			trans	-158.8	168.6	-175	54.9	67.8	0	0	0	111.4	P430 G434 H435 L436 I595 A597 I600 L613 L614	P430-H432 PolarHBondContact O-CD2 3Å; H432-G434 WeakPolarHBondContact ND1-CA 3.5Å; H432-G434 PolarHBondContact ND1-N 2.87Å; H432-G434 PolarHBondContact O-N 2.9Å; H432-G434 VanDerWaalsContact O-N 3.14Å; H432-H435 AromaticContact CD2-CE1 3.57Å; H432-H435 AromaticContact CD2-ND1 3.45Å; H432-H435 PolarHBondContact CD2-ND1 2.9Å; H432-H435 AromaticContact CE1-CE1 3.41Å; H432-H435 PolarHBondContact CE1-CE1 3.07Å; H432-H435 VanDerWaalsContact CE1-CE1 3.41Å; H432-H435 AromaticContact CE1-CG 3.95Å; H432-H435 AromaticContact CE1-ND1 3.22Å; H432-H435 PolarHBondContact CE1-ND1 3.32Å; H432-H435 AromaticContact CG-ND1 3.48Å; H432-H435 AromaticContact ND1-CE1 3.95Å; H432-H435 PolarHBondContact ND1-N 3.43Å; H432-H435 AromaticContact ND1-ND1 3.31Å; H432-H435 PolarHBondContact ND1-ND1 3.07Å; H432-H435 AromaticContact NE2-CE1 3.13Å; H432-H435 PolarHBondContact NE2-CE1 3.46Å; H432-H435 AromaticContact NE2-ND1 3.3Å; H432-H435 PolarHBondContact NE2-ND1 3.5Å; H432-H435 WeakPolarHBondContact O-CB 3.3Å; H432-H435 PolarHBondContact O-N 3.32Å; H432-L436 PolarHBondContact O-N 2.91Å; H432-I595 HydrophobicContact CB-CG2 4.05Å; H432-I595 PolarHBondContact CE1-O 3.37Å; H432-A597 PolarHBondContact CD2-N 3.19Å; H432-A597 PolarHBondContact NE2-N 2.91Å; H432-I600 HydrophobicContact CB-CD1 3.34Å; H432-L613 WeakPolarHBondContact CB-O 3.34Å; H432-L614 HydrophobicContact CB-CD2 4.29Å
433	Y	87.8	Confident	88.8	Confident	30 Å²	30	19.1 Å²	19.1	12%	0.118	11%	0.111	C	C	.	.	H	α-helix	trans	-57.5	-32	-179.1	-74.8	-49.7	0	0	0	113.7	H435 L436 K437 P438 D612 L613 L614 P615 E616	Y433-H435 PolarHBondContact O-N 3.44Å; Y433-H435 VanDerWaalsContact O-N 3.14Å; Y433-L436 PolarHBondContact O-N 3.39Å; Y433-L436 VanDerWaalsContact O-N 3.17Å; Y433-K437 HydrophobicContact CD1-CD 3.94Å; Y433-K437 HydrophobicContact CD1-CG 3.91Å; Y433-K437 HydrophobicContact CG-CD 4.1Å; Y433-K437 HydrophobicContact CG-CG 4.37Å; Y433-K437 PolarHBondContact O-N 3.22Å; Y433-P438 WeakPolarHBondContact O-CD 3.27Å; Y433-D612 WeakPolarHBondContact CD2-O 3.39Å; Y433-L613 WeakPolarHBondContact CD2-O 3.41Å; Y433-L613 PolarHBondContact N-O 2.9Å; Y433-L614 WeakPolarHBondContact CE2-O 3.33Å; Y433-L614 VanDerWaalsContact CZ-O 3.25Å; Y433-L614 PolarHBondContact OH-O 3.49Å; Y433-P615 HydrophobicContact CE1-CB 4.17Å; Y433-E616 PolarHBondContact OH-N 2.91Å
434	G	85.6	Confident	88	Confident	15 Å²	15	25.9 Å²	25.9	16%	0.155	15%	0.147	C	C	.	.	H	α-helix	trans	-63	-10.7	171.8	0	0	0	0	0	115.8	H432	H432-G434 WeakPolarHBondContact ND1-CA 3.5Å; H432-G434 PolarHBondContact ND1-N 2.87Å; H432-G434 PolarHBondContact O-N 2.9Å; H432-G434 VanDerWaalsContact O-N 3.14Å
435	H	88.8	Confident	87.1	Confident	35 Å²	35	29.5 Å²	29.5	16%	0.162	17%	0.166	C	C	.	.	H	α-helix	trans	-95.2	-45.5	166.9	-68.1	109.8	0	0	0	111.3	F424 F428 H432 Y433 V439	F424-H435 HydrophobicContact CE1-CB 4.14Å; F424-H435 WeakPolarHBondContact CE1-O 3.32Å; F424-H435 HydrophobicContact CZ-CB 4.28Å; F428-H435 HydrophobicContact CD1-CB 4.32Å; F428-H435 AromaticContact CD1-CD2 3.83Å; F428-H435 AromaticContact CD1-CG 3.89Å; F428-H435 HydrophobicContact CE1-CB 4.1Å; F428-H435 AromaticContact CE1-CD2 3.66Å; F428-H435 AromaticContact CE1-CG 3.92Å; H432-H435 AromaticContact CD2-CE1 3.57Å; H432-H435 AromaticContact CD2-ND1 3.45Å; H432-H435 PolarHBondContact CD2-ND1 2.9Å; H432-H435 AromaticContact CE1-CE1 3.41Å; H432-H435 PolarHBondContact CE1-CE1 3.07Å; H432-H435 VanDerWaalsContact CE1-CE1 3.41Å; H432-H435 AromaticContact CE1-CG 3.95Å; H432-H435 AromaticContact CE1-ND1 3.22Å; H432-H435 PolarHBondContact CE1-ND1 3.32Å; H432-H435 AromaticContact CG-ND1 3.48Å; H432-H435 AromaticContact ND1-CE1 3.95Å; H432-H435 PolarHBondContact ND1-N 3.43Å; H432-H435 AromaticContact ND1-ND1 3.31Å; H432-H435 PolarHBondContact ND1-ND1 3.07Å; H432-H435 AromaticContact NE2-CE1 3.13Å; H432-H435 PolarHBondContact NE2-CE1 3.46Å; H432-H435 AromaticContact NE2-ND1 3.3Å; H432-H435 PolarHBondContact NE2-ND1 3.5Å; H432-H435 WeakPolarHBondContact O-CB 3.3Å; H432-H435 PolarHBondContact O-N 3.32Å; Y433-H435 PolarHBondContact O-N 3.44Å; Y433-H435 VanDerWaalsContact O-N 3.14Å; H435-V439 WeakPolarHBondContact O-CG2 3.45Å
436	L	89.8	Confident	86.5	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-80.3	-54.8	-171	-58	178.1	0	0	0	113.3	V431 H432 Y433 V439 E440 I453 A479 I480 K483 F486 P615	V431-L436 HydrophobicContact CG2-CD1 4.3Å; V431-L436 HydrophobicContact CG2-CD2 4.2Å; V431-L436 HydrophobicContact CG2-CG 4.15Å; H432-L436 PolarHBondContact O-N 2.91Å; Y433-L436 PolarHBondContact O-N 3.39Å; Y433-L436 VanDerWaalsContact O-N 3.17Å; L436-V439 CarbonylContact O-C 3.59Å; L436-V439 WeakPolarHBondContact O-CA 3.31Å; L436-V439 PolarHBondContact O-N 3Å; L436-E440 WeakPolarHBondContact O-CG 3.3Å; L436-E440 PolarHBondContact O-N 3.45Å; L436-I453 HydrophobicContact CD2-CD1 4.19Å; L436-A479 HydrophobicContact CD1-CB 4.36Å; L436-I480 HydrophobicContact CD2-CG2 4.22Å; L436-K483 HydrophobicContact CD1-CD 4.35Å; L436-F486 HydrophobicContact CB-CE2 4.33Å; L436-F486 HydrophobicContact CB-CZ 4.34Å; L436-F486 HydrophobicContact CD2-CD2 4.33Å; L436-F486 HydrophobicContact CD2-CE1 4.28Å; L436-F486 HydrophobicContact CD2-CE2 3.93Å; L436-F486 HydrophobicContact CD2-CZ 3.9Å; L436-P615 HydrophobicContact CD1-CB 4.07Å; L436-P615 HydrophobicContact CD1-CG 4.11Å
437	K	87.3	Confident	85.7	Confident	70 Å²	70	30 Å²	30	30%	0.304	17%	0.169	S	C	.	.	H	α-helix	trans	-60.8	-37	-172.1	-67.7	-172.9	172.5	175.5	0	114.9	Y433 V439 E440 T441 F593	Y433-K437 HydrophobicContact CD1-CD 3.94Å; Y433-K437 HydrophobicContact CD1-CG 3.91Å; Y433-K437 HydrophobicContact CG-CD 4.1Å; Y433-K437 HydrophobicContact CG-CG 4.37Å; Y433-K437 PolarHBondContact O-N 3.22Å; K437-V439 VanDerWaalsContact C-N 3.28Å; K437-V439 PolarHBondContact O-N 3.43Å; K437-E440 VanDerWaalsContact CA-OE2 3.29Å; K437-E440 WeakPolarHBondContact CA-OE2 3.5Å; K437-E440 WeakPolarHBondContact CG-OE2 3.27Å; K437-T441 PolarHBondContact O-N 3.03Å; K437-T441 PolarHBondContact O-OG1 3.2Å; K437-F593 HydrophobicContact CB-CD1 4.46Å; K437-F593 HydrophobicContact CB-CD2 3.6Å; K437-F593 HydrophobicContact CB-CE1 4.26Å; K437-F593 HydrophobicContact CB-CE2 3.34Å; K437-F593 HydrophobicContact CB-CG 4.16Å; K437-F593 HydrophobicContact CB-CZ 3.72Å; K437-F593 HydrophobicContact CD-CD1 4.16Å; K437-F593 HydrophobicContact CD-CE1 3.59Å; K437-F593 HydrophobicContact CD-CE2 4.17Å; K437-F593 HydrophobicContact CD-CZ 3.59Å; K437-F593 HydrophobicContact CG-CE2 4.36Å; K437-F593 HydrophobicContact CG-CZ 4.27Å
438	P	87.4	Confident	85.2	Confident	14 Å²	14	29.2 Å²	29.2	9%	0.091	16%	0.164	C	C	.	.	H	α-helix	trans	-60.3	-38.6	170.4	-24	34.2	0	0	0	112.5	Y433 T441 L442 T590 F593	Y433-P438 WeakPolarHBondContact O-CD 3.27Å; P438-T441 PolarHBondContact O-N 2.87Å; P438-L442 WeakPolarHBondContact O-CB 3.45Å; P438-L442 PolarHBondContact O-N 3.47Å; P438-T590 HydrophobicContact CB-CG2 4.49Å; P438-T590 WeakPolarHBondContact O-CG2 3.43Å; P438-F593 HydrophobicContact CG-CB 4.45Å; P438-F593 HydrophobicContact CG-CD2 4.05Å
439	V	90.6	Very high	84.3	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-79.4	-34.9	-176.9	178.3	0	0	0	0	112.2	F424 H435 L436 K437 T441 L442 A443 V451 F486 I521	F424-V439 HydrophobicContact CD1-CG2 3.99Å; F424-V439 HydrophobicContact CD2-CG2 4.43Å; F424-V439 HydrophobicContact CE1-CG2 3.74Å; F424-V439 HydrophobicContact CE2-CG2 4.21Å; F424-V439 HydrophobicContact CG-CG2 4.33Å; F424-V439 HydrophobicContact CZ-CG2 3.86Å; H435-V439 WeakPolarHBondContact O-CG2 3.45Å; L436-V439 CarbonylContact O-C 3.59Å; L436-V439 WeakPolarHBondContact O-CA 3.31Å; L436-V439 PolarHBondContact O-N 3Å; K437-V439 VanDerWaalsContact C-N 3.28Å; K437-V439 PolarHBondContact O-N 3.43Å; V439-T441 VanDerWaalsContact C-N 3.31Å; V439-L442 PolarHBondContact O-N 2.99Å; V439-A443 VanDerWaalsContact O-CB 3.32Å; V439-A443 WeakPolarHBondContact O-CB 3.42Å; V439-A443 PolarHBondContact O-N 2.93Å; V439-V451 HydrophobicContact CG1-CB 4.3Å; V439-V451 HydrophobicContact CG1-CG1 3.96Å; V439-V451 HydrophobicContact CG1-CG2 3.89Å; V439-F486 HydrophobicContact CB-CE1 4.18Å; V439-F486 HydrophobicContact CB-CZ 4.2Å; V439-F486 HydrophobicContact CG1-CE1 3.67Å; V439-F486 HydrophobicContact CG1-CZ 4.08Å; V439-I521 HydrophobicContact CG1-CD1 3.93Å; V439-I521 HydrophobicContact CG2-CG2 4.2Å
440	E	87.5	Confident	83.9	Confident	51 Å²	51	33.5 Å²	33.5	24%	0.238	18%	0.184	C	C	.	.	H	α-helix	trans	-59	-44.1	167.2	-67.5	170.3	142.4	0	0	110.9	L436 K437 A443 N444 K483 L485 F486	L436-E440 WeakPolarHBondContact O-CG 3.3Å; L436-E440 PolarHBondContact O-N 3.45Å; K437-E440 VanDerWaalsContact CA-OE2 3.29Å; K437-E440 WeakPolarHBondContact CA-OE2 3.5Å; K437-E440 WeakPolarHBondContact CG-OE2 3.27Å; E440-A443 PolarHBondContact O-N 3.38Å; E440-N444 PolarHBondContact O-N 2.84Å; E440-K483 WeakPolarHBondContact OE1-CD 3.43Å; E440-L485 HydrophobicContact CB-CD2 4.39Å; E440-L485 HydrophobicContact CG-CD2 4.07Å; E440-F486 HydrophobicContact CG-CE2 3.64Å; E440-F486 HydrophobicContact CG-CZ 3.84Å
441	T	83.6	Confident	84	Confident	42 Å²	42	32.7 Å²	32.7	26%	0.258	18%	0.179	S	C	.	.	H	α-helix	trans	-70.2	-40.8	178.2	-44.3	0	0	0	0	111.8	K437 P438 V439 A443 N444 L445 P591	K437-T441 PolarHBondContact O-N 3.03Å; K437-T441 PolarHBondContact O-OG1 3.2Å; P438-T441 PolarHBondContact O-N 2.87Å; V439-T441 VanDerWaalsContact C-N 3.31Å; T441-A443 VanDerWaalsContact C-N 3.33Å; T441-A443 PolarHBondContact O-N 3.23Å; T441-N444 PolarHBondContact O-N 2.99Å; T441-L445 HydrophobicContact CG2-CD1 4.15Å; T441-L445 HydrophobicContact CG2-CG 4.37Å; T441-L445 WeakPolarHBondContact O-CB 3.19Å; T441-L445 VanDerWaalsContact O-CG 3.28Å; T441-L445 WeakPolarHBondContact O-CG 3.38Å; T441-L445 PolarHBondContact O-N 3.09Å; T441-P591 VanDerWaalsContact CG2-CD 3.45Å; T441-P591 HydrophobicContact CG2-CG 3.84Å
442	L	86.6	Confident	84.1	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-56.4	-47.1	172.4	168.7	62.3	0	0	0	111.4	P438 V439 N444 L445 I446 L448 I521 I546 A588 T590	P438-L442 WeakPolarHBondContact O-CB 3.45Å; P438-L442 PolarHBondContact O-N 3.47Å; V439-L442 PolarHBondContact O-N 2.99Å; L442-N444 VanDerWaalsContact C-N 3.28Å; L442-N444 PolarHBondContact O-N 3.3Å; L442-L445 PolarHBondContact O-N 3.47Å; L442-L445 VanDerWaalsContact O-N 3.07Å; L442-I446 HydrophobicContact CD1-CD1 4.02Å; L442-I446 HydrophobicContact CD1-CG1 3.95Å; L442-I446 HydrophobicContact CD1-CG2 4.09Å; L442-I446 HydrophobicContact CG-CG1 4.47Å; L442-I446 WeakPolarHBondContact O-CG1 3.31Å; L442-I446 PolarHBondContact O-N 3.27Å; L442-L448 HydrophobicContact CD2-CD1 4.49Å; L442-L448 HydrophobicContact CG-CD1 4.35Å; L442-I521 HydrophobicContact CD2-CD1 3.72Å; L442-I521 HydrophobicContact CD2-CG1 3.86Å; L442-I521 HydrophobicContact CD2-CG2 4.08Å; L442-I546 HydrophobicContact CD1-CG2 3.67Å; L442-I546 HydrophobicContact CD2-CB 4.39Å; L442-I546 HydrophobicContact CD2-CD1 4.45Å; L442-I546 HydrophobicContact CD2-CG2 3.54Å; L442-I546 HydrophobicContact CG-CG2 4.24Å; L442-A588 HydrophobicContact CD1-CB 3.77Å; L442-T590 HydrophobicContact CB-CG2 3.81Å
443	A	83.7	Confident	84.3	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-57.8	-43.1	-179.8	0	0	0	0	0	111.7	V439 E440 T441 G447 L448 L485	V439-A443 VanDerWaalsContact O-CB 3.32Å; V439-A443 WeakPolarHBondContact O-CB 3.42Å; V439-A443 PolarHBondContact O-N 2.93Å; E440-A443 PolarHBondContact O-N 3.38Å; T441-A443 VanDerWaalsContact C-N 3.33Å; T441-A443 PolarHBondContact O-N 3.23Å; A443-G447 CarbonylContact O-C 3.56Å; A443-G447 VanDerWaalsContact O-CA 3.29Å; A443-G447 WeakPolarHBondContact O-CA 3.34Å; A443-G447 PolarHBondContact O-N 3.11Å; A443-L448 HydrophobicContact CB-CB 3.95Å; A443-L448 PolarHBondContact O-N 3.14Å; A443-L485 HydrophobicContact CB-CD1 3.7Å; A443-L485 HydrophobicContact CB-CD2 3.64Å; A443-L485 HydrophobicContact CB-CG 4.32Å
444	N	76	Confident	84.6	Confident	142 Å²	142	31.2 Å²	31.2	76%	0.759	17%	0.173	S	C	*	.	H	α-helix	trans	-68.5	-36.4	173.9	-66	-19	0	0	0	113.2	E440 T441 L442	E440-N444 PolarHBondContact O-N 2.84Å; T441-N444 PolarHBondContact O-N 2.99Å; L442-N444 VanDerWaalsContact C-N 3.28Å; L442-N444 PolarHBondContact O-N 3.3Å
445	L	75.1	Confident	84.9	Confident	96 Å²	96	30.5 Å²	30.5	50%	0.503	17%	0.166	S	C	.	.	H	α-helix	trans	-68	-37.1	-179.9	-78.4	168.6	0	0	0	113.4	T441 L442	T441-L445 HydrophobicContact CG2-CD1 4.15Å; T441-L445 HydrophobicContact CG2-CG 4.37Å; T441-L445 WeakPolarHBondContact O-CB 3.19Å; T441-L445 VanDerWaalsContact O-CG 3.28Å; T441-L445 WeakPolarHBondContact O-CG 3.38Å; T441-L445 PolarHBondContact O-N 3.09Å; L442-L445 PolarHBondContact O-N 3.47Å; L442-L445 VanDerWaalsContact O-N 3.07Å
446	I	77.8	Confident	84.8	Confident	11 Å²	11	29.9 Å²	29.9	6%	0.056	16%	0.163	C	C	.	.	H	α-helix	trans	-115.6	-0.3	-176	73.3	158.9	0	0	0	114.6	L442 L448 I546 P574 L577 H578 Y586	L442-I446 HydrophobicContact CD1-CD1 4.02Å; L442-I446 HydrophobicContact CD1-CG1 3.95Å; L442-I446 HydrophobicContact CD1-CG2 4.09Å; L442-I446 HydrophobicContact CG-CG1 4.47Å; L442-I446 WeakPolarHBondContact O-CG1 3.31Å; L442-I446 PolarHBondContact O-N 3.27Å; I446-L448 HydrophobicContact CD1-CD1 4.03Å; I446-L448 HydrophobicContact CD1-CD2 4.21Å; I446-L448 HydrophobicContact CD1-CG 3.9Å; I446-L448 HydrophobicContact CG1-CD1 4.21Å; I446-L448 HydrophobicContact CG1-CG 3.89Å; I446-I546 HydrophobicContact CD1-CD1 3.58Å; I446-P574 HydrophobicContact CB-CB 4.21Å; I446-P574 HydrophobicContact CG2-CB 3.9Å; I446-P574 HydrophobicContact CG2-CG 4.3Å; I446-L577 HydrophobicContact CD1-CD1 3.74Å; I446-H578 PolarHBondContact O-CE1 3.49Å; I446-H578 PolarHBondContact O-NE2 2.92Å; I446-Y586 HydrophobicContact CG2-CD1 4.37Å; I446-Y586 HydrophobicContact CG2-CE1 3.73Å
447	G	71.9	Confident	84.5	Confident	40 Å²	40	31.4 Å²	31.4	41%	0.412	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	26.1	175.9	0	0	0	0	0	116.1	A443	A443-G447 CarbonylContact O-C 3.56Å; A443-G447 VanDerWaalsContact O-CA 3.29Å; A443-G447 WeakPolarHBondContact O-CA 3.34Å; A443-G447 PolarHBondContact O-N 3.11Å
448	L	79.3	Confident	84.1	Confident	11 Å²	11	30.1 Å²	30.1	6%	0.058	17%	0.169	C	C	.	.			trans	-71.4	134	168	-57	166.6	0	0	0	109.1	H420 A422 L442 A443 I446 V451 I521	H420-L448 HydrophobicContact CB-CD2 4.08Å; H420-L448 WeakPolarHBondContact O-CD2 3.37Å; A422-L448 HydrophobicContact CB-CD1 3.55Å; A422-L448 HydrophobicContact CB-CD2 3.83Å; A422-L448 HydrophobicContact CB-CG 4.3Å; L442-L448 HydrophobicContact CD2-CD1 4.49Å; L442-L448 HydrophobicContact CG-CD1 4.35Å; A443-L448 HydrophobicContact CB-CB 3.95Å; A443-L448 PolarHBondContact O-N 3.14Å; I446-L448 HydrophobicContact CD1-CD1 4.03Å; I446-L448 HydrophobicContact CD1-CD2 4.21Å; I446-L448 HydrophobicContact CD1-CG 3.9Å; I446-L448 HydrophobicContact CG1-CD1 4.21Å; I446-L448 HydrophobicContact CG1-CG 3.89Å; L448-V451 HydrophobicContact CD1-CG2 4.18Å; L448-I521 HydrophobicContact CD1-CD1 4.39Å
449	T	69.5	Low	83.5	Confident	49 Å²	49	29.9 Å²	29.9	30%	0.301	17%	0.168	S	C	.	.			trans	-108.9	-5.7	170.8	84.5	0	0	0	0	113.3	F417	F417-T449 VanDerWaalsContact CA-OG1 3.25Å; F417-T449 WeakPolarHBondContact CA-OG1 3.5Å; F417-T449 HydrophobicContact CB-CG2 3.73Å; F417-T449 VanDerWaalsContact CB-OG1 3.23Å; F417-T449 WeakPolarHBondContact CB-OG1 3.3Å; F417-T449 HydrophobicContact CD1-CG2 3.78Å; F417-T449 HydrophobicContact CG-CG2 4.09Å; F417-T449 PolarHBondContact O-OG1 3.45Å
450	R	83	Confident	82.5	Confident	65 Å²	65	32.3 Å²	32.3	25%	0.245	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	126.5	176.7	176.3	149.6	-81	123.3	6	111.3	D418 A422 P484 L485	D418-R450 IonicContact OD1-CZ 3.84Å; D418-R450 IonicContact OD1-NH1 3.92Å; D418-R450 PolarHBondContact OD1-NH1 3.38Å; D418-R450 IonicContact OD2-NH1 2.71Å; A422-R450 PolarHBondContact N-O 3.2Å; R450-P484 PolarHBondContact NH2-O 2.84Å; R450-L485 CarbonylContact C-O 3.57Å; R450-L485 VanDerWaalsContact CA-O 3.29Å; R450-L485 WeakPolarHBondContact CA-O 3.42Å
451	V	91	Very high	81.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123	171.4	-175.3	0	0	0	0	109.1	A422 F424 V439 L448 L485 F486 T487 I521	A422-V451 HydrophobicContact CB-CG1 4.5Å; A422-V451 HydrophobicContact CB-CG2 4.35Å; A422-V451 CarbonylContact O-C 3.56Å; A422-V451 WeakPolarHBondContact O-CA 3.35Å; F424-V451 HydrophobicContact CB-CG1 3.71Å; V439-V451 HydrophobicContact CG1-CB 4.3Å; V439-V451 HydrophobicContact CG1-CG1 3.96Å; V439-V451 HydrophobicContact CG1-CG2 3.89Å; L448-V451 HydrophobicContact CD1-CG2 4.18Å; V451-L485 HydrophobicContact CG2-CD1 4.09Å; V451-L485 HydrophobicContact CG2-CG 4.27Å; V451-L485 PolarHBondContact N-O 3.12Å; V451-F486 HydrophobicContact CB-CD1 3.99Å; V451-F486 HydrophobicContact CB-CE1 4.16Å; V451-F486 HydrophobicContact CG1-CD1 4.37Å; V451-F486 HydrophobicContact CG1-CE1 4.37Å; V451-F486 WeakPolarHBondContact O-CA 3.49Å; V451-T487 PolarHBondContact O-N 3.43Å; V451-I521 HydrophobicContact CG1-CD1 3.91Å; V451-I521 HydrophobicContact CG2-CD1 4.38Å
452	T	94	Very high	80.6	Confident	11 Å²	11	40.5 Å²	40.5	7%	0.067	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	112.4	176	-47.4	0	0	0	0	109.7	A422 L423 F424 T487 D489 W508	A422-T452 PolarHBondContact O-N 2.88Å; L423-T452 CarbonylContact C-O 3.41Å; L423-T452 WeakPolarHBondContact CA-O 3.21Å; F424-T452 PolarHBondContact N-O 2.85Å; T452-T487 CarbonylContact C-O 3.55Å; T452-T487 WeakPolarHBondContact CA-O 3.49Å; T452-T487 PolarHBondContact OG1-OG1 2.95Å; T452-D489 HydrophobicContact CG2-CB 3.58Å; T452-W508 HydrophobicContact CG2-CH2 4.38Å; T452-W508 HydrophobicContact CG2-CZ2 4.04Å
453	I	94.6	Very high	79.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.1	174.8	-53.7	-177.8	0	0	0	108.7	F424 F428 L436 P455 L476 I480 F486 T487 L488 D489	F424-I453 HydrophobicContact CD1-CG1 4.44Å; F424-I453 WeakPolarHBondContact O-CA 3.47Å; F428-I453 HydrophobicContact CD2-CG2 3.98Å; F428-I453 HydrophobicContact CE1-CG2 4.21Å; F428-I453 HydrophobicContact CE2-CG2 3.36Å; F428-I453 HydrophobicContact CZ-CG2 3.51Å; L436-I453 HydrophobicContact CD2-CD1 4.19Å; I453-P455 WeakPolarHBondContact O-CD 3.38Å; I453-L476 HydrophobicContact CD1-CD2 4.07Å; I453-L476 HydrophobicContact CG2-CD1 4.13Å; I453-L476 HydrophobicContact CG2-CD2 4.01Å; I453-I480 HydrophobicContact CD1-CG2 3.93Å; I453-F486 HydrophobicContact CD1-CB 4.23Å; I453-F486 HydrophobicContact CD1-CD1 3.76Å; I453-F486 HydrophobicContact CD1-CE1 4.39Å; I453-F486 HydrophobicContact CD1-CG 4.13Å; I453-F486 HydrophobicContact CG1-CD1 3.88Å; I453-T487 PolarHBondContact N-O 2.92Å; I453-L488 HydrophobicContact CB-CD1 4.2Å; I453-L488 HydrophobicContact CG2-CD1 4.37Å; I453-D489 PolarHBondContact O-N 3.05Å
454	I	93.7	Very high	79.3	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	93.3	178	-47.1	-171.8	0	0	0	108.7	L423 F424 G425 G426 N456 D489 E492 T504	L423-I454 HydrophobicContact CB-CD1 4.07Å; L423-I454 HydrophobicContact CD1-CD1 4.17Å; L423-I454 HydrophobicContact CD2-CD1 4.32Å; L423-I454 HydrophobicContact CG-CD1 4.41Å; F424-I454 PolarHBondContact O-N 3Å; G425-I454 WeakPolarHBondContact CA-O 3.47Å; G426-I454 PolarHBondContact N-O 3.16Å; G426-I454 VanDerWaalsContact N-O 3.15Å; I454-N456 PolarHBondContact O-N 3.16Å; I454-D489 HydrophobicContact CG1-CB 4.31Å; I454-E492 HydrophobicContact CG2-CB 4.15Å; I454-E492 HydrophobicContact CG2-CG 3.68Å; I454-T504 HydrophobicContact CD1-CG2 3.74Å; I454-T504 HydrophobicContact CG2-CG2 4.35Å
455	P	92.3	Very high	79.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	125.1	173.4	29	-35	0	0	0	111.2	G426 F428 I453 L476 L488 L493	G426-P455 CarbonylContact O-C 3.58Å; G426-P455 WeakPolarHBondContact O-CA 3.42Å; F428-P455 HydrophobicContact CD2-CB 4.1Å; I453-P455 WeakPolarHBondContact O-CD 3.38Å; P455-L476 HydrophobicContact CB-CD1 3.68Å; P455-L476 HydrophobicContact CG-CD1 3.85Å; P455-L488 HydrophobicContact CG-CD1 3.94Å; P455-L493 HydrophobicContact CB-CD1 4.4Å; P455-L493 HydrophobicContact CB-CD2 4.03Å; P455-L493 HydrophobicContact CB-CG 4.38Å; P455-L493 HydrophobicContact CG-CD1 3.72Å; P455-L493 HydrophobicContact CG-CD2 4.1Å; P455-L493 HydrophobicContact CG-CG 3.88Å; P455-L493 WeakPolarHBondContact O-CD2 3.4Å
456	N	86.9	Confident	79.9	Confident	21 Å²	21	48.8 Å²	48.8	11%	0.112	26%	0.256	C	S	.	.			trans	-72.3	147.4	177.6	55.1	47.9	0	0	0	112.7	G426 T427 I454 R472 E492 S499	G426-N456 VanDerWaalsContact C-ND2 3.29Å; G426-N456 VanDerWaalsContact O-CG 3.27Å; G426-N456 PolarHBondContact O-N 3.47Å; G426-N456 PolarHBondContact O-ND2 3.06Å; T427-N456 WeakPolarHBondContact CA-OD1 3.32Å; T427-N456 WeakPolarHBondContact CB-OD1 3.37Å; T427-N456 VanDerWaalsContact OG1-CG 3.31Å; T427-N456 PolarHBondContact OG1-ND2 2.81Å; T427-N456 PolarHBondContact OG1-OD1 3.31Å; I454-N456 PolarHBondContact O-N 3.16Å; N456-R472 VanDerWaalsContact O-CZ 3.3Å; N456-R472 PolarHBondContact O-NH1 3.39Å; N456-R472 PolarHBondContact O-NH2 3.31Å; N456-E492 VanDerWaalsContact CA-OE2 3.31Å; N456-E492 WeakPolarHBondContact CA-OE2 3.37Å; N456-E492 WeakPolarHBondContact CB-OE2 3.42Å; N456-S499 WeakPolarHBondContact CA-OG 3.38Å; N456-S499 VanDerWaalsContact CB-CB 3.47Å; N456-S499 WeakPolarHBondContact CB-OG 3.29Å
457	N	83.4	Confident	80.3	Confident	33 Å²	33	49 Å²	49	18%	0.176	26%	0.259	C	S	.	.	S	Bend	trans	-81.6	-60.2	174.7	-164.5	22.3	0	0	0	110.6	S469 R472 E492 R495 S499	N457-S469 PolarHBondContact OD1-OG 3.02Å; N457-R472 PolarHBondContact O-NH2 3.29Å; N457-E492 VanDerWaalsContact CB-O 3.28Å; N457-E492 WeakPolarHBondContact CB-O 3.4Å; N457-R495 PolarHBondContact ND2-O 2.64Å; N457-S499 PolarHBondContact N-OG 3.34Å
458	V	78.6	Confident	81.1	Confident	42 Å²	42	51.1 Å²	51.1	26%	0.255	26%	0.261	S	S	.	.	S	Bend	trans	-120.1	102.8	179.7	168.1	0	0	0	0	107.7	P460 P498 S499	V458-P460 WeakPolarHBondContact O-CD 3.32Å; V458-P498 HydrophobicContact CG1-CB 4.34Å; V458-P498 HydrophobicContact CG1-CG 4.4Å; V458-S499 PolarHBondContact O-N 3.14Å
459	P	74.5	Confident	81.6	Confident	9 Å²	9	51.8 Å²	51.8	6%	0.058	27%	0.267	C	S	.	.			trans	-73.2	117.7	179.6	27.5	-32.4	0	0	0	110.6	H461 R462	P459-H461 VanDerWaalsContact C-N 3.25Å; P459-H461 PolarHBondContact O-N 3.49Å; P459-R462 HydrophobicContact CB-CB 4.47Å
460	P	69.7	Low	82.5	Confident	53 Å²	53	54.7 Å²	54.7	34%	0.344	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-15	-173	25	-32.8	0	0	0	115	V458 P498 S499 Y500	V458-P460 WeakPolarHBondContact O-CD 3.32Å; P460-P498 HydrophobicContact CB-CB 4.28Å; P460-S499 WeakPolarHBondContact CD-O 3.41Å; P460-Y500 HydrophobicContact CB-CE1 4.08Å; P460-Y500 HydrophobicContact CG-CD1 4.28Å; P460-Y500 HydrophobicContact CG-CE1 4.28Å
461	H	65.3	Low	83	Confident	104 Å²	104	56.3 Å²	56.3	48%	0.481	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118	10.5	-172.9	-57.3	-70.6	0	0	0	114.3	P459 T532 W533	P459-H461 VanDerWaalsContact C-N 3.25Å; P459-H461 PolarHBondContact O-N 3.49Å; H461-T532 PolarHBondContact CE1-O 3.42Å; H461-W533 AromaticContact NE2-CD1 3.77Å
462	R	64.7	Low	83	Confident	161 Å²	161	56.3 Å²	56.3	61%	0.608	30%	0.295	S	S	*	.	S	Bend	trans	-141.8	162.5	-179.2	-67.7	-170.5	-179.7	-173.5	0.6	110.7	P459 D525	P459-R462 HydrophobicContact CB-CB 4.47Å; R462-D525 IonicContact NH2-OD2 2.75Å; R462-D525 PolarHBondContact NH2-OD2 3.02Å
463	P	68.9	Low	83	Confident	118 Å²	118	58.2 Å²	58.2	77%	0.766	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-53.2	157.4	165.3	-24.4	35	0	0	0	111.6
464	Q	74.3	Confident	82.8	Confident	120 Å²	120	63.2 Å²	63.2	56%	0.561	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-60.9	142.7	171.9	-66.1	-67.3	-6.1	0	0	110
465	P	79	Confident	82.6	Confident	27 Å²	27	65.9 Å²	65.9	18%	0.175	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-65.9	156.2	177.5	27.6	-33.7	0	0	0	111.9	T427 D429	T427-P465 HydrophobicContact CG2-CB 3.8Å; T427-P465 HydrophobicContact CG2-CG 4.08Å; D429-P465 HydrophobicContact CB-CB 3.78Å; D429-P465 VanDerWaalsContact CG-CB 3.48Å; D429-P465 WeakPolarHBondContact OD2-CA 3.37Å; D429-P465 VanDerWaalsContact OD2-CB 3.31Å; D429-P465 WeakPolarHBondContact OD2-CB 3.09Å
466	E	84.5	Confident	82.6	Confident	149 Å²	149	65.9 Å²	65.9	70%	0.696	34%	0.338	S	S	*	.	S	Bend	trans	-76.7	-43.2	175.4	-71.9	172.7	-145.9	0	0	111.1	D429 R601	D429-E466 PolarHBondContact OD2-N 3.02Å; E466-R601 VanDerWaalsContact OE1-CD 3.24Å; E466-R601 WeakPolarHBondContact OE1-CD 3.49Å; E466-R601 IonicContact OE1-CZ 3.65Å; E466-R601 IonicContact OE1-NE 2.74Å; E466-R601 PolarHBondContact OE1-NE 2.81Å; E466-R601 IonicContact OE1-NH1 3.39Å; E466-R601 WeakPolarHBondContact OE2-CD 3.41Å
467	A	87.3	Confident	82.7	Confident	15 Å²	15	68.7 Å²	68.7	12%	0.124	35%	0.351	C	S	.	.	S	Bend	trans	-77.8	131.2	171	0	0	0	0	0	111.1	D429 Q471 R472 M475	D429-A467 WeakPolarHBondContact OD1-CB 3.33Å; D429-A467 PolarHBondContact OD1-N 2.73Å; A467-Q471 HydrophobicContact CB-CB 3.99Å; A467-R472 HydrophobicContact CB-CG 3.62Å; A467-R472 WeakPolarHBondContact O-CD 3.47Å; A467-R472 WeakPolarHBondContact O-CG 3.46Å; A467-R472 PolarHBondContact O-NE 2.83Å; A467-M475 HydrophobicContact CB-CE 3.7Å
468	N	88.7	Confident	82.8	Confident	84 Å²	84	71.4 Å²	71.4	45%	0.449	37%	0.365	S	S	.	.			trans	-69.8	165.7	177.3	75.2	54.8	0	0	0	111.9	V470 Q471 R472	N468-V470 PolarHBondContact O-N 2.95Å; N468-V470 VanDerWaalsContact O-N 3.13Å; N468-V470 WeakPolarHBondContact OD1-CA 3.46Å; N468-V470 WeakPolarHBondContact OD1-CB 3.35Å; N468-V470 PolarHBondContact OD1-N 3.23Å; N468-Q471 VanDerWaalsContact CG-OE1 3.29Å; N468-Q471 PolarHBondContact ND2-OE1 3.32Å; N468-Q471 WeakPolarHBondContact O-CB 3.47Å; N468-Q471 PolarHBondContact O-N 3.07Å; N468-Q471 PolarHBondContact OD1-N 2.92Å; N468-R472 WeakPolarHBondContact O-CG 3.42Å; N468-R472 PolarHBondContact O-N 2.99Å
469	S	88.9	Confident	83.2	Confident	26 Å²	26	69.5 Å²	69.5	18%	0.182	35%	0.354	C	S	.	.	H	α-helix	trans	-58.6	-26.8	-175.4	-61.7	0	0	0	0	114.9	N457 R472 K473	N457-S469 PolarHBondContact OD1-OG 3.02Å; S469-R472 PolarHBondContact OG-NH2 3.43Å; S469-K473 WeakPolarHBondContact O-CB 3.27Å; S469-K473 PolarHBondContact O-N 2.77Å; S469-K473 VanDerWaalsContact O-N 3.15Å
470	V	89.9	Confident	83.8	Confident	110 Å²	110	70 Å²	70	67%	0.667	36%	0.355	S	S	*	.	H	α-helix	trans	-76.3	-43.4	173.6	-174.9	0	0	0	0	110.8	N468 K473 H474	N468-V470 PolarHBondContact O-N 2.95Å; N468-V470 VanDerWaalsContact O-N 3.13Å; N468-V470 WeakPolarHBondContact OD1-CA 3.46Å; N468-V470 WeakPolarHBondContact OD1-CB 3.35Å; N468-V470 PolarHBondContact OD1-N 3.23Å; V470-K473 PolarHBondContact O-N 2.97Å; V470-H474 PolarHBondContact O-N 3.45Å
471	Q	91.9	Very high	84	Confident	98 Å²	98	69.8 Å²	69.8	46%	0.458	36%	0.358	S	S	.	.	H	α-helix	trans	-62.5	-43.6	175.8	-68.6	170.1	-55.3	0	0	111.6	A467 N468 H474 M475	A467-Q471 HydrophobicContact CB-CB 3.99Å; N468-Q471 VanDerWaalsContact CG-OE1 3.29Å; N468-Q471 PolarHBondContact ND2-OE1 3.32Å; N468-Q471 WeakPolarHBondContact O-CB 3.47Å; N468-Q471 PolarHBondContact O-N 3.07Å; N468-Q471 PolarHBondContact OD1-N 2.92Å; Q471-H474 PolarHBondContact O-N 3.28Å; Q471-M475 WeakPolarHBondContact O-CG 3.32Å; Q471-M475 PolarHBondContact O-N 3.02Å
472	R	91.9	Very high	84.2	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-67.8	-37.6	178.8	-64.7	-178	-60.4	116	-1.2	112.5	T427 D429 N456 N457 A467 N468 S469 M475 L476	T427-R472 WeakPolarHBondContact O-CD 3.31Å; T427-R472 PolarHBondContact O-NH1 3.45Å; D429-R472 HydrophobicContact CB-CG 4.47Å; N456-R472 VanDerWaalsContact O-CZ 3.3Å; N456-R472 PolarHBondContact O-NH1 3.39Å; N456-R472 PolarHBondContact O-NH2 3.31Å; N457-R472 PolarHBondContact O-NH2 3.29Å; A467-R472 HydrophobicContact CB-CG 3.62Å; A467-R472 WeakPolarHBondContact O-CD 3.47Å; A467-R472 WeakPolarHBondContact O-CG 3.46Å; A467-R472 PolarHBondContact O-NE 2.83Å; N468-R472 WeakPolarHBondContact O-CG 3.42Å; N468-R472 PolarHBondContact O-N 2.99Å; S469-R472 PolarHBondContact OG-NH2 3.43Å; R472-M475 HydrophobicContact CB-CE 4.44Å; R472-M475 HydrophobicContact CG-CE 3.94Å; R472-L476 WeakPolarHBondContact O-CB 3.48Å; R472-L476 WeakPolarHBondContact O-CG 3.48Å; R472-L476 PolarHBondContact O-N 2.74Å; R472-L476 VanDerWaalsContact O-N 3.14Å
473	K	92.9	Very high	84.7	Confident	52 Å²	52	62.3 Å²	62.3	23%	0.226	33%	0.333	C	S	.	.	H	α-helix	trans	-55.7	-53.4	166.3	165	172.7	172	174	0	110.7	S469 V470 M475 L476 E477 L488 E490 L493	S469-K473 WeakPolarHBondContact O-CB 3.27Å; S469-K473 PolarHBondContact O-N 2.77Å; S469-K473 VanDerWaalsContact O-N 3.15Å; V470-K473 PolarHBondContact O-N 2.97Å; K473-M475 PolarHBondContact O-N 3.31Å; K473-L476 WeakPolarHBondContact O-CA 3.44Å; K473-L476 WeakPolarHBondContact O-CB 3.5Å; K473-L476 PolarHBondContact O-N 2.72Å; K473-E477 WeakPolarHBondContact CE-OE1 3.39Å; K473-E477 VanDerWaalsContact CE-OE2 3.23Å; K473-E477 WeakPolarHBondContact CE-OE2 3.24Å; K473-E477 HydrophobicContact CG-CG 4.34Å; K473-E477 IonicContact NZ-OE1 3.17Å; K473-E477 PolarHBondContact NZ-OE1 2.93Å; K473-E477 PolarHBondContact O-N 2.92Å; K473-L488 HydrophobicContact CG-CD2 4.04Å; K473-E490 HydrophobicContact CD-CG 4.39Å; K473-E490 WeakPolarHBondContact CE-OE1 3.39Å; K473-E490 IonicContact NZ-OE1 2.79Å; K473-E490 PolarHBondContact NZ-OE1 3.27Å; K473-L493 HydrophobicContact CB-CD1 3.9Å
474	H	90.9	Very high	85	Confident	104 Å²	104	61.4 Å²	61.4	48%	0.481	33%	0.327	S	S	.	.	H	α-helix	trans	-65.6	-39.9	-173.4	-171.6	50.2	0	0	0	113	V470 Q471 L476 E477 L478	V470-H474 PolarHBondContact O-N 3.45Å; Q471-H474 PolarHBondContact O-N 3.28Å; H474-L476 VanDerWaalsContact C-N 3.28Å; H474-L476 PolarHBondContact O-N 3.05Å; H474-E477 IonicContact ND1-OE2 2.75Å; H474-E477 PolarHBondContact O-N 3.02Å; H474-L478 WeakPolarHBondContact O-CG 3.38Å; H474-L478 PolarHBondContact O-N 3.16Å
475	M	90.8	Very high	85.4	Confident	57 Å²	57	57.2 Å²	57.2	28%	0.281	31%	0.308	S	S	.	.	H	α-helix	trans	-60.4	-37.4	172	-69.7	-173.5	-65.7	0	0	111.9	P430 V431 A467 Q471 R472 K473 A479	P430-M475 HydrophobicContact CB-CE 4.11Å; P430-M475 HydrophobicContact CB-SD 3.76Å; V431-M475 HydrophobicContact CG1-CB 4.1Å; V431-M475 WeakPolarHBondContact CG1-O 3.41Å; A467-M475 HydrophobicContact CB-CE 3.7Å; Q471-M475 WeakPolarHBondContact O-CG 3.32Å; Q471-M475 PolarHBondContact O-N 3.02Å; R472-M475 HydrophobicContact CB-CE 4.44Å; R472-M475 HydrophobicContact CG-CE 3.94Å; K473-M475 PolarHBondContact O-N 3.31Å; M475-A479 WeakPolarHBondContact O-CB 3.22Å; M475-A479 PolarHBondContact O-N 3.29Å
476	L	91.9	Very high	85.9	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-68.5	-42.3	174.7	-80.1	167.9	0	0	0	112.9	F428 V431 I453 P455 R472 K473 H474 L478 A479 I480 L488	F428-L476 HydrophobicContact CB-CD1 3.9Å; F428-L476 HydrophobicContact CB-CD2 4.11Å; F428-L476 HydrophobicContact CB-CG 4.1Å; F428-L476 HydrophobicContact CD1-CD2 4.17Å; F428-L476 HydrophobicContact CD2-CD1 3.87Å; F428-L476 HydrophobicContact CD2-CD2 4.44Å; F428-L476 HydrophobicContact CG-CD1 4Å; F428-L476 HydrophobicContact CG-CD2 3.98Å; F428-L476 HydrophobicContact CG-CG 4.38Å; V431-L476 HydrophobicContact CB-CD2 3.79Å; V431-L476 HydrophobicContact CB-CG 4.38Å; V431-L476 HydrophobicContact CG1-CD2 4.14Å; V431-L476 HydrophobicContact CG1-CG 4.41Å; V431-L476 HydrophobicContact CG2-CD2 3.81Å; I453-L476 HydrophobicContact CD1-CD2 4.07Å; I453-L476 HydrophobicContact CG2-CD1 4.13Å; I453-L476 HydrophobicContact CG2-CD2 4.01Å; P455-L476 HydrophobicContact CB-CD1 3.68Å; P455-L476 HydrophobicContact CG-CD1 3.85Å; R472-L476 WeakPolarHBondContact O-CB 3.48Å; R472-L476 WeakPolarHBondContact O-CG 3.48Å; R472-L476 PolarHBondContact O-N 2.74Å; R472-L476 VanDerWaalsContact O-N 3.14Å; K473-L476 WeakPolarHBondContact O-CA 3.44Å; K473-L476 WeakPolarHBondContact O-CB 3.5Å; K473-L476 PolarHBondContact O-N 2.72Å; H474-L476 VanDerWaalsContact C-N 3.28Å; H474-L476 PolarHBondContact O-N 3.05Å; L476-L478 PolarHBondContact O-N 2.88Å; L476-A479 PolarHBondContact O-N 2.81Å; L476-I480 WeakPolarHBondContact O-CG1 3.3Å; L476-I480 PolarHBondContact O-N 3.36Å; L476-L488 HydrophobicContact CB-CD1 4.05Å; L476-L488 HydrophobicContact CD1-CD1 3.81Å; L476-L488 HydrophobicContact CG-CD1 4.49Å
477	E	89.7	Confident	86.3	Confident	81 Å²	81	51.4 Å²	51.4	38%	0.379	28%	0.281	S	S	.	.	H	α-helix	trans	-58.6	-46.5	175.8	-71.1	173.9	134	0	0	111.6	K473 H474 A481 L488	K473-E477 WeakPolarHBondContact CE-OE1 3.39Å; K473-E477 VanDerWaalsContact CE-OE2 3.23Å; K473-E477 WeakPolarHBondContact CE-OE2 3.24Å; K473-E477 HydrophobicContact CG-CG 4.34Å; K473-E477 IonicContact NZ-OE1 3.17Å; K473-E477 PolarHBondContact NZ-OE1 2.93Å; K473-E477 PolarHBondContact O-N 2.92Å; H474-E477 IonicContact ND1-OE2 2.75Å; H474-E477 PolarHBondContact O-N 3.02Å; E477-A481 PolarHBondContact O-N 3.38Å; E477-L488 HydrophobicContact CG-CD2 4.1Å
478	L	84.8	Confident	86.5	Confident	89 Å²	89	52.9 Å²	52.9	47%	0.466	29%	0.287	S	S	.	.	H	α-helix	trans	-63.5	-44	175.7	-67.6	172	0	0	0	112	H474 L476 I480 A481	H474-L478 WeakPolarHBondContact O-CG 3.38Å; H474-L478 PolarHBondContact O-N 3.16Å; L476-L478 PolarHBondContact O-N 2.88Å; L478-I480 PolarHBondContact O-N 3.06Å; L478-A481 PolarHBondContact O-N 3.3Å
479	A	86.4	Confident	86.7	Confident	3 Å²	3	50 Å²	50	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-66.8	-17.6	-176	0	0	0	0	0	115.6	V431 L436 M475 L476 K483 P615	V431-A479 HydrophobicContact CB-CB 4.42Å; V431-A479 HydrophobicContact CG1-CB 3.49Å; V431-A479 VanDerWaalsContact CG1-CB 3.49Å; V431-A479 HydrophobicContact CG2-CB 4.04Å; L436-A479 HydrophobicContact CD1-CB 4.36Å; M475-A479 WeakPolarHBondContact O-CB 3.22Å; M475-A479 PolarHBondContact O-N 3.29Å; L476-A479 PolarHBondContact O-N 2.81Å; A479-K483 VanDerWaalsContact O-CE 3.27Å; A479-K483 WeakPolarHBondContact O-CE 3.35Å; A479-P615 HydrophobicContact CB-CB 4.27Å; A479-P615 HydrophobicContact CB-CG 3.44Å; A479-P615 VanDerWaalsContact CB-CG 3.44Å
480	I	87.2	Confident	86.9	Confident	18 Å²	18	51.5 Å²	51.5	9%	0.092	28%	0.276	C	S	.	.	H	α-helix	trans	-121	4.8	-177.9	75.5	-172.5	0	0	0	113.6	L436 I453 L476 L478 D482 K483 F486	L436-I480 HydrophobicContact CD2-CG2 4.22Å; I453-I480 HydrophobicContact CD1-CG2 3.93Å; L476-I480 WeakPolarHBondContact O-CG1 3.3Å; L476-I480 PolarHBondContact O-N 3.36Å; L478-I480 PolarHBondContact O-N 3.06Å; I480-D482 PolarHBondContact O-N 3.21Å; I480-K483 HydrophobicContact CB-CB 4.43Å; I480-K483 PolarHBondContact O-N 2.93Å; I480-F486 HydrophobicContact CB-CB 3.86Å; I480-F486 HydrophobicContact CD1-CB 4.04Å; I480-F486 HydrophobicContact CG1-CB 4.44Å; I480-F486 HydrophobicContact CG2-CB 3.79Å; I480-F486 HydrophobicContact CG2-CD2 4.14Å; I480-F486 HydrophobicContact CG2-CG 4.09Å
481	A	74.7	Confident	86.9	Confident	49 Å²	49	48.3 Å²	48.3	41%	0.405	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-34.4	-174.6	0	0	0	0	0	113.6	E477 L478	E477-A481 PolarHBondContact O-N 3.38Å; L478-A481 PolarHBondContact O-N 3.3Å
482	D	68.2	Low	86.9	Confident	81 Å²	81	44.1 Å²	44.1	43%	0.433	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	2.9	176.4	70.7	-54.4	0	0	0	113.8	I480 P484	I480-D482 PolarHBondContact O-N 3.21Å; D482-P484 WeakPolarHBondContact O-CD 3.38Å
483	K	75.7	Confident	86.7	Confident	28 Å²	28	45.3 Å²	45.3	12%	0.122	24%	0.238	C	C	.	.			trans	-118	81.2	-162.9	-46.2	-161	-171.6	-49.8	0	112.1	L436 E440 A479 I480 L485 F486	L436-K483 HydrophobicContact CD1-CD 4.35Å; E440-K483 WeakPolarHBondContact OE1-CD 3.43Å; A479-K483 VanDerWaalsContact O-CE 3.27Å; A479-K483 WeakPolarHBondContact O-CE 3.35Å; I480-K483 HydrophobicContact CB-CB 4.43Å; I480-K483 PolarHBondContact O-N 2.93Å; K483-L485 PolarHBondContact O-N 3.12Å; K483-F486 HydrophobicContact CB-CD2 3.82Å; K483-F486 HydrophobicContact CD-CD2 4.41Å; K483-F486 HydrophobicContact CD-CE2 4.47Å; K483-F486 PolarHBondContact O-N 2.71Å
484	P	75.9	Confident	86.4	Confident	99 Å²	99	49.6 Å²	49.6	64%	0.643	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-13.9	-171.6	25.3	-35.9	0	0	0	115.4	R450 D482 F486	R450-P484 PolarHBondContact NH2-O 2.84Å; D482-P484 WeakPolarHBondContact O-CD 3.38Å; P484-F486 VanDerWaalsContact C-N 3.29Å
485	L	82.4	Confident	86.1	Confident	31 Å²	31	46.1 Å²	46.1	16%	0.162	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-37	168.5	176.4	63.6	0	0	0	112.1	E440 A443 R450 V451 K483	E440-L485 HydrophobicContact CB-CD2 4.39Å; E440-L485 HydrophobicContact CG-CD2 4.07Å; A443-L485 HydrophobicContact CB-CD1 3.7Å; A443-L485 HydrophobicContact CB-CD2 3.64Å; A443-L485 HydrophobicContact CB-CG 4.32Å; R450-L485 CarbonylContact C-O 3.57Å; R450-L485 VanDerWaalsContact CA-O 3.29Å; R450-L485 WeakPolarHBondContact CA-O 3.42Å; V451-L485 HydrophobicContact CG2-CD1 4.09Å; V451-L485 HydrophobicContact CG2-CG 4.27Å; V451-L485 PolarHBondContact N-O 3.12Å; K483-L485 PolarHBondContact O-N 3.12Å
486	F	89.4	Confident	85.5	Confident	10 Å²	10	51.7 Å²	51.7	4%	0.044	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	146.6	-172.5	-64.7	-70.8	0	0	0	112.5	L436 V439 E440 V451 I453 I480 K483 P484	L436-F486 HydrophobicContact CB-CE2 4.33Å; L436-F486 HydrophobicContact CB-CZ 4.34Å; L436-F486 HydrophobicContact CD2-CD2 4.33Å; L436-F486 HydrophobicContact CD2-CE1 4.28Å; L436-F486 HydrophobicContact CD2-CE2 3.93Å; L436-F486 HydrophobicContact CD2-CZ 3.9Å; V439-F486 HydrophobicContact CB-CE1 4.18Å; V439-F486 HydrophobicContact CB-CZ 4.2Å; V439-F486 HydrophobicContact CG1-CE1 3.67Å; V439-F486 HydrophobicContact CG1-CZ 4.08Å; E440-F486 HydrophobicContact CG-CE2 3.64Å; E440-F486 HydrophobicContact CG-CZ 3.84Å; V451-F486 HydrophobicContact CB-CD1 3.99Å; V451-F486 HydrophobicContact CB-CE1 4.16Å; V451-F486 HydrophobicContact CG1-CD1 4.37Å; V451-F486 HydrophobicContact CG1-CE1 4.37Å; V451-F486 WeakPolarHBondContact O-CA 3.49Å; I453-F486 HydrophobicContact CD1-CB 4.23Å; I453-F486 HydrophobicContact CD1-CD1 3.76Å; I453-F486 HydrophobicContact CD1-CE1 4.39Å; I453-F486 HydrophobicContact CD1-CG 4.13Å; I453-F486 HydrophobicContact CG1-CD1 3.88Å; I480-F486 HydrophobicContact CB-CB 3.86Å; I480-F486 HydrophobicContact CD1-CB 4.04Å; I480-F486 HydrophobicContact CG1-CB 4.44Å; I480-F486 HydrophobicContact CG2-CB 3.79Å; I480-F486 HydrophobicContact CG2-CD2 4.14Å; I480-F486 HydrophobicContact CG2-CG 4.09Å; K483-F486 HydrophobicContact CB-CD2 3.82Å; K483-F486 HydrophobicContact CD-CD2 4.41Å; K483-F486 HydrophobicContact CD-CE2 4.47Å; K483-F486 PolarHBondContact O-N 2.71Å; P484-F486 VanDerWaalsContact C-N 3.29Å
487	T	92.1	Very high	84.9	Confident	44 Å²	44	54 Å²	54	27%	0.27	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	162.1	168.9	39.9	0	0	0	0	109.5	V451 T452 I453	V451-T487 PolarHBondContact O-N 3.43Å; T452-T487 CarbonylContact C-O 3.55Å; T452-T487 WeakPolarHBondContact CA-O 3.49Å; T452-T487 PolarHBondContact OG1-OG1 2.95Å; I453-T487 PolarHBondContact N-O 2.92Å
488	L	92.5	Very high	84.5	Confident	47 Å²	47	52.2 Å²	52.2	25%	0.246	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.1	-176.6	-167.6	68.1	0	0	0	111.3	I453 P455 K473 L476 E477	I453-L488 HydrophobicContact CB-CD1 4.2Å; I453-L488 HydrophobicContact CG2-CD1 4.37Å; P455-L488 HydrophobicContact CG-CD1 3.94Å; K473-L488 HydrophobicContact CG-CD2 4.04Å; L476-L488 HydrophobicContact CB-CD1 4.05Å; L476-L488 HydrophobicContact CD1-CD1 3.81Å; L476-L488 HydrophobicContact CG-CD1 4.49Å; E477-L488 HydrophobicContact CG-CD2 4.1Å
489	D	92.9	Very high	84.6	Confident	24 Å²	24	48.3 Å²	48.3	13%	0.128	27%	0.265	C	S	.	.			trans	-114.4	114.7	170.7	-176.5	-12.2	0	0	0	110.5	T452 I453 I454 R491 W508	T452-D489 HydrophobicContact CG2-CB 3.58Å; I453-D489 PolarHBondContact O-N 3.05Å; I454-D489 HydrophobicContact CG1-CB 4.31Å; D489-R491 VanDerWaalsContact C-N 3.33Å; D489-R491 PolarHBondContact O-N 3.39Å; D489-R491 VanDerWaalsContact OD1-CB 3.28Å; D489-R491 WeakPolarHBondContact OD1-CB 3.28Å; D489-R491 WeakPolarHBondContact OD1-CG 3.33Å; D489-R491 PolarHBondContact OD1-N 2.69Å; D489-R491 IonicContact OD1-NE 3.64Å; D489-R491 PolarHBondContact OD1-NE 2.87Å; D489-R491 IonicContact OD2-CZ 2.76Å; D489-R491 IonicContact OD2-NE 3.99Å; D489-R491 PolarHBondContact OD2-NE 2.94Å; D489-R491 IonicContact OD2-NH2 3.56Å; D489-R491 PolarHBondContact OD2-NH2 3.07Å; D489-W508 WeakPolarHBondContact OD2-CZ2 3.31Å; D489-W508 PolarHBondContact OD2-NE1 3.24Å
490	E	92.5	Very high	84.7	Confident	56 Å²	56	51.2 Å²	51.2	26%	0.262	28%	0.276	S	S	.	.			trans	-83.6	-0.1	-176.3	-59.9	175.2	-173.5	0	0	114.1	K473 E492 L493 K494	K473-E490 HydrophobicContact CD-CG 4.39Å; K473-E490 WeakPolarHBondContact CE-OE1 3.39Å; K473-E490 IonicContact NZ-OE1 2.79Å; K473-E490 PolarHBondContact NZ-OE1 3.27Å; E490-E492 PolarHBondContact O-N 3.27Å; E490-L493 WeakPolarHBondContact O-CB 3.49Å; E490-L493 PolarHBondContact O-N 2.88Å; E490-L493 VanDerWaalsContact O-N 3.09Å; E490-K494 HydrophobicContact CB-CD 4.28Å; E490-K494 PolarHBondContact O-N 3.37Å; E490-K494 WeakPolarHBondContact OE2-CE 3.35Å; E490-K494 IonicContact OE2-NZ 2.76Å; E490-K494 PolarHBondContact OE2-NZ 2.83Å
491	R	91.3	Very high	85	Confident	43 Å²	43	51.5 Å²	51.5	16%	0.162	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-39.5	-169.7	72.4	174.9	69.8	-146	2	113.2	D489 K494 R495 E507 E511	D489-R491 VanDerWaalsContact C-N 3.33Å; D489-R491 PolarHBondContact O-N 3.39Å; D489-R491 VanDerWaalsContact OD1-CB 3.28Å; D489-R491 WeakPolarHBondContact OD1-CB 3.28Å; D489-R491 WeakPolarHBondContact OD1-CG 3.33Å; D489-R491 PolarHBondContact OD1-N 2.69Å; D489-R491 IonicContact OD1-NE 3.64Å; D489-R491 PolarHBondContact OD1-NE 2.87Å; D489-R491 IonicContact OD2-CZ 2.76Å; D489-R491 IonicContact OD2-NE 3.99Å; D489-R491 PolarHBondContact OD2-NE 2.94Å; D489-R491 IonicContact OD2-NH2 3.56Å; D489-R491 PolarHBondContact OD2-NH2 3.07Å; R491-K494 PolarHBondContact O-N 3.16Å; R491-R495 PolarHBondContact O-N 2.98Å; R491-E507 VanDerWaalsContact CD-OE2 3.26Å; R491-E507 WeakPolarHBondContact CD-OE2 3.43Å; R491-E507 IonicContact CZ-OE2 3.68Å; R491-E507 IonicContact NE-OE2 3.19Å; R491-E507 IonicContact NH1-OE2 3.11Å; R491-E507 PolarHBondContact NH1-OE2 2.81Å; R491-E511 IonicContact CZ-OE1 3.77Å; R491-E511 IonicContact CZ-OE2 2.8Å; R491-E511 IonicContact NH1-OE1 3.56Å; R491-E511 PolarHBondContact NH1-OE1 2.88Å; R491-E511 IonicContact NH1-OE2 3.61Å; R491-E511 IonicContact NH2-OE1 2.7Å; R491-E511 PolarHBondContact NH2-OE1 3.35Å; R491-E511 IonicContact NH2-OE2 2.68Å; R491-E511 PolarHBondContact NH2-OE2 3.33Å
492	E	90.7	Very high	85.8	Confident	10 Å²	10	49.2 Å²	49.2	5%	0.047	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-42.4	179.3	-73.2	-161.3	-177.6	0	0	111.7	I454 N456 N457 E490 K494 R495 S499 T504	I454-E492 HydrophobicContact CG2-CB 4.15Å; I454-E492 HydrophobicContact CG2-CG 3.68Å; N456-E492 VanDerWaalsContact CA-OE2 3.31Å; N456-E492 WeakPolarHBondContact CA-OE2 3.37Å; N456-E492 WeakPolarHBondContact CB-OE2 3.42Å; N457-E492 VanDerWaalsContact CB-O 3.28Å; N457-E492 WeakPolarHBondContact CB-O 3.4Å; E490-E492 PolarHBondContact O-N 3.27Å; E492-K494 PolarHBondContact O-N 3.21Å; E492-R495 WeakPolarHBondContact O-CB 3.4Å; E492-R495 PolarHBondContact O-N 2.91Å; E492-R495 IonicContact OE1-NH1 3.5Å; E492-S499 WeakPolarHBondContact OE2-CB 3.43Å; E492-S499 PolarHBondContact OE2-OG 3.11Å; E492-T504 HydrophobicContact CG-CG2 4.41Å; E492-T504 WeakPolarHBondContact OE1-CB 3.4Å; E492-T504 WeakPolarHBondContact OE1-CG2 3.42Å; E492-T504 PolarHBondContact OE1-OG1 3.26Å
493	L	88.5	Confident	87	Confident	25 Å²	25	48.7 Å²	48.7	13%	0.131	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.4	174	-58.3	-174	0	0	0	113.2	P455 K473 E490	P455-L493 HydrophobicContact CB-CD1 4.4Å; P455-L493 HydrophobicContact CB-CD2 4.03Å; P455-L493 HydrophobicContact CB-CG 4.38Å; P455-L493 HydrophobicContact CG-CD1 3.72Å; P455-L493 HydrophobicContact CG-CD2 4.1Å; P455-L493 HydrophobicContact CG-CG 3.88Å; P455-L493 WeakPolarHBondContact O-CD2 3.4Å; K473-L493 HydrophobicContact CB-CD1 3.9Å; E490-L493 WeakPolarHBondContact O-CB 3.49Å; E490-L493 PolarHBondContact O-N 2.88Å; E490-L493 VanDerWaalsContact O-N 3.09Å
494	K	86.6	Confident	87.9	Confident	142 Å²	142	47.4 Å²	47.4	62%	0.617	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-4.7	178.6	-67	166	-176.8	167.8	0	113.8	E490 R491 E492	E490-K494 HydrophobicContact CB-CD 4.28Å; E490-K494 PolarHBondContact O-N 3.37Å; E490-K494 WeakPolarHBondContact OE2-CE 3.35Å; E490-K494 IonicContact OE2-NZ 2.76Å; E490-K494 PolarHBondContact OE2-NZ 2.83Å; R491-K494 PolarHBondContact O-N 3.16Å; E492-K494 PolarHBondContact O-N 3.21Å
495	R	84.8	Confident	88.8	Confident	32 Å²	32	42.7 Å²	42.7	12%	0.121	22%	0.218	C	C	.	.			trans	-84.1	133.7	175.8	-67.3	-170.6	-172.1	138.6	4.2	111.6	N457 R491 E492 A497 T504 E507	N457-R495 PolarHBondContact ND2-O 2.64Å; R491-R495 PolarHBondContact O-N 2.98Å; E492-R495 WeakPolarHBondContact O-CB 3.4Å; E492-R495 PolarHBondContact O-N 2.91Å; E492-R495 IonicContact OE1-NH1 3.5Å; R495-A497 PolarHBondContact O-N 3.19Å; R495-T504 PolarHBondContact NH1-OG1 3.36Å; R495-T504 PolarHBondContact NH2-OG1 3.16Å; R495-E507 IonicContact CZ-OE1 3.99Å; R495-E507 IonicContact NE-OE1 2.91Å; R495-E507 IonicContact NH2-OE1 3.18Å; R495-E507 PolarHBondContact NH2-OE1 2.55Å; R495-E507 IonicContact NH2-OE2 2.7Å; R495-E507 PolarHBondContact NH2-OE2 3.3Å
496	N	78.5	Confident	89.3	Confident	174 Å²	174	46.2 Å²	46.2	93%	0.93	23%	0.232	S	C	*	.	S	Bend	trans	-82.1	18.4	172	-65.2	-26	0	0	0	113.4
497	A	78	Confident	89.5	Confident	48 Å²	48	48.7 Å²	48.7	40%	0.397	24%	0.244	S	C	.	.	S	Bend	trans	-138	164.5	-173.1	0	0	0	0	0	110.1	R495	R495-A497 PolarHBondContact O-N 3.19Å
498	P	81.5	Confident	89.6	Confident	43 Å²	43	47.4 Å²	47.4	28%	0.279	23%	0.234	S	C	.	.			trans	-55.5	144.6	176.2	-24.6	34.7	0	0	0	113.2	V458 P460 Y500	V458-P498 HydrophobicContact CG1-CB 4.34Å; V458-P498 HydrophobicContact CG1-CG 4.4Å; P460-P498 HydrophobicContact CB-CB 4.28Å; P498-Y500 HydrophobicContact CB-CD2 4.49Å; P498-Y500 HydrophobicContact CB-CE1 4.19Å; P498-Y500 HydrophobicContact CB-CE2 3.94Å; P498-Y500 HydrophobicContact CG-CE2 4.32Å; P498-Y500 PolarHBondContact O-N 3.31Å
499	S	86	Confident	89.6	Confident	7 Å²	7	46.4 Å²	46.4	5%	0.049	23%	0.227	C	C	.	.			trans	-74.4	92	177.2	-84.6	0	0	0	0	111.4	N456 N457 V458 P460 E492	N456-S499 WeakPolarHBondContact CA-OG 3.38Å; N456-S499 VanDerWaalsContact CB-CB 3.47Å; N456-S499 WeakPolarHBondContact CB-OG 3.29Å; N457-S499 PolarHBondContact N-OG 3.34Å; V458-S499 PolarHBondContact O-N 3.14Å; P460-S499 WeakPolarHBondContact CD-O 3.41Å; E492-S499 WeakPolarHBondContact OE2-CB 3.43Å; E492-S499 PolarHBondContact OE2-OG 3.11Å
500	Y	90.3	Very high	89.6	Confident	65 Å²	65	52.2 Å²	52.2	26%	0.255	25%	0.254	S	S	.	.			trans	-93	113	173.5	-61.5	-57.2	0	0	0	111.7	P460 P498 A502 Q503 T504 Y534	P460-Y500 HydrophobicContact CB-CE1 4.08Å; P460-Y500 HydrophobicContact CG-CD1 4.28Å; P460-Y500 HydrophobicContact CG-CE1 4.28Å; P498-Y500 HydrophobicContact CB-CD2 4.49Å; P498-Y500 HydrophobicContact CB-CE1 4.19Å; P498-Y500 HydrophobicContact CB-CE2 3.94Å; P498-Y500 HydrophobicContact CG-CE2 4.32Å; P498-Y500 PolarHBondContact O-N 3.31Å; Y500-A502 VanDerWaalsContact C-N 3.3Å; Y500-A502 PolarHBondContact O-N 3.16Å; Y500-Q503 WeakPolarHBondContact O-CB 3.28Å; Y500-Q503 PolarHBondContact O-N 3.34Å; Y500-T504 PolarHBondContact O-N 3.15Å; Y500-T504 PolarHBondContact O-OG1 3.4Å; Y500-Y534 HydrophobicContact CD1-CD1 4.21Å; Y500-Y534 HydrophobicContact CD1-CD2 4.42Å; Y500-Y534 AromaticContact CD1-CG 3.76Å; Y500-Y534 HydrophobicContact CD1-CG 3.76Å; Y500-Y534 HydrophobicContact CD2-CD1 4.4Å; Y500-Y534 HydrophobicContact CD2-CG 4.45Å; Y500-Y534 HydrophobicContact CE1-CD2 4.22Å; Y500-Y534 HydrophobicContact CE1-CG 4Å; Y500-Y534 AromaticContact CG-CD1 3.99Å; Y500-Y534 HydrophobicContact CG-CD1 3.99Å; Y500-Y534 AromaticContact CG-CG 3.99Å; Y500-Y534 HydrophobicContact CG-CG 3.99Å
501	T	92	Very high	89.5	Confident	23 Å²	23	54.9 Å²	54.9	14%	0.141	27%	0.266	C	S	.	.	H	α-helix	trans	-54.4	-41.1	-178.7	-55.7	0	0	0	0	113.2	Q503 T504 L505 F520 W533 I539	T501-Q503 VanDerWaalsContact C-N 3.28Å; T501-Q503 PolarHBondContact O-N 3.38Å; T501-T504 PolarHBondContact O-N 3.05Å; T501-L505 HydrophobicContact CG2-CD1 3.69Å; T501-L505 HydrophobicContact CG2-CG 4.02Å; T501-L505 WeakPolarHBondContact O-CG 3.45Å; T501-L505 PolarHBondContact O-N 2.95Å; T501-F520 HydrophobicContact CG2-CD1 3.87Å; T501-F520 HydrophobicContact CG2-CD2 4.35Å; T501-F520 HydrophobicContact CG2-CE1 3.5Å; T501-F520 HydrophobicContact CG2-CE2 4.02Å; T501-F520 HydrophobicContact CG2-CG 4.29Å; T501-F520 HydrophobicContact CG2-CZ 3.59Å; T501-W533 HydrophobicContact CG2-CZ3 4.17Å; T501-I539 HydrophobicContact CG2-CD1 4.11Å
502	A	93.1	Very high	89.2	Confident	2 Å²	2	55 Å²	55	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-55.1	-41.4	176.5	0	0	0	0	0	112.7	Y500 K506 Y534 E535 I539	Y500-A502 VanDerWaalsContact C-N 3.3Å; Y500-A502 PolarHBondContact O-N 3.16Å; A502-K506 WeakPolarHBondContact O-CB 3.28Å; A502-K506 PolarHBondContact O-N 3Å; A502-Y534 WeakPolarHBondContact CB-O 3.34Å; A502-E535 HydrophobicContact CB-CB 4.04Å; A502-I539 HydrophobicContact CB-CG1 4.04Å
503	Q	93.1	Very high	89	Confident	69 Å²	69	55.5 Å²	55.5	32%	0.322	28%	0.276	S	S	.	.	H	α-helix	trans	-70.4	-42.6	178.4	-61.9	178.3	-5	0	0	111.3	Y500 T501 K506 E507	Y500-Q503 WeakPolarHBondContact O-CB 3.28Å; Y500-Q503 PolarHBondContact O-N 3.34Å; T501-Q503 VanDerWaalsContact C-N 3.28Å; T501-Q503 PolarHBondContact O-N 3.38Å; Q503-K506 PolarHBondContact O-N 3.33Å; Q503-E507 WeakPolarHBondContact O-CG 3.25Å; Q503-E507 PolarHBondContact O-N 3.2Å
504	T	93.4	Very high	88.9	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.006	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-45.1	175.8	-58.4	0	0	0	0	112.8	I454 E492 R495 Y500 T501 K506 W508	I454-T504 HydrophobicContact CD1-CG2 3.74Å; I454-T504 HydrophobicContact CG2-CG2 4.35Å; E492-T504 HydrophobicContact CG-CG2 4.41Å; E492-T504 WeakPolarHBondContact OE1-CB 3.4Å; E492-T504 WeakPolarHBondContact OE1-CG2 3.42Å; E492-T504 PolarHBondContact OE1-OG1 3.26Å; R495-T504 PolarHBondContact NH1-OG1 3.36Å; R495-T504 PolarHBondContact NH2-OG1 3.16Å; Y500-T504 PolarHBondContact O-N 3.15Å; Y500-T504 PolarHBondContact O-OG1 3.4Å; T501-T504 PolarHBondContact O-N 3.05Å; T504-K506 VanDerWaalsContact C-N 3.34Å; T504-W508 PolarHBondContact O-N 3.04Å
505	L	94.5	Very high	88.9	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-71	-31.5	178.6	-65	177.6	0	0	0	112.2	L423 T501 W508 R509 L518 F520 I539 N542 A543	L423-L505 HydrophobicContact CD1-CD2 3.61Å; T501-L505 HydrophobicContact CG2-CD1 3.69Å; T501-L505 HydrophobicContact CG2-CG 4.02Å; T501-L505 WeakPolarHBondContact O-CG 3.45Å; T501-L505 PolarHBondContact O-N 2.95Å; L505-W508 PolarHBondContact O-N 3.16Å; L505-R509 VanDerWaalsContact O-CB 3.28Å; L505-R509 WeakPolarHBondContact O-CB 3.24Å; L505-R509 PolarHBondContact O-N 3.48Å; L505-L518 HydrophobicContact CD2-CD2 4.5Å; L505-F520 HydrophobicContact CD1-CB 4.05Å; L505-F520 HydrophobicContact CD1-CG 4.17Å; L505-F520 HydrophobicContact CD2-CB 4.13Å; L505-F520 HydrophobicContact CD2-CD2 3.97Å; L505-F520 HydrophobicContact CD2-CG 4.27Å; L505-I539 HydrophobicContact CD1-CB 4.33Å; L505-I539 HydrophobicContact CD1-CG1 4.36Å; L505-I539 HydrophobicContact CD1-CG2 3.57Å; L505-N542 HydrophobicContact CB-CB 4Å; L505-A543 HydrophobicContact CD1-CB 4.1Å; L505-A543 HydrophobicContact CD2-CB 4.25Å
506	K	94.3	Very high	89	Confident	105 Å²	105	59.2 Å²	59.2	46%	0.457	31%	0.312	S	S	.	.	H	α-helix	trans	-68.8	-40.6	174.7	-172.4	174	-172.6	167.9	0	112.9	A502 Q503 T504 R509 Q510 N542	A502-K506 WeakPolarHBondContact O-CB 3.28Å; A502-K506 PolarHBondContact O-N 3Å; Q503-K506 PolarHBondContact O-N 3.33Å; T504-K506 VanDerWaalsContact C-N 3.34Å; K506-R509 PolarHBondContact O-N 3.36Å; K506-Q510 VanDerWaalsContact O-CG 3.26Å; K506-Q510 WeakPolarHBondContact O-CG 3.5Å; K506-Q510 PolarHBondContact O-N 3.16Å; K506-N542 WeakPolarHBondContact CA-OD1 3.36Å
507	E	93.1	Very high	89.5	Confident	62 Å²	62	51.9 Å²	51.9	29%	0.29	27%	0.274	S	S	.	.	H	α-helix	trans	-61.5	-49.2	169.6	-71.5	170.7	-161	0	0	110.9	R491 R495 Q503 R509 Q510 E511	R491-E507 VanDerWaalsContact CD-OE2 3.26Å; R491-E507 WeakPolarHBondContact CD-OE2 3.43Å; R491-E507 IonicContact CZ-OE2 3.68Å; R491-E507 IonicContact NE-OE2 3.19Å; R491-E507 IonicContact NH1-OE2 3.11Å; R491-E507 PolarHBondContact NH1-OE2 2.81Å; R495-E507 IonicContact CZ-OE1 3.99Å; R495-E507 IonicContact NE-OE1 2.91Å; R495-E507 IonicContact NH2-OE1 3.18Å; R495-E507 PolarHBondContact NH2-OE1 2.55Å; R495-E507 IonicContact NH2-OE2 2.7Å; R495-E507 PolarHBondContact NH2-OE2 3.3Å; Q503-E507 WeakPolarHBondContact O-CG 3.25Å; Q503-E507 PolarHBondContact O-N 3.2Å; E507-R509 VanDerWaalsContact C-N 3.34Å; E507-R509 PolarHBondContact O-N 2.97Å; E507-Q510 WeakPolarHBondContact O-CB 3.34Å; E507-Q510 PolarHBondContact O-N 3.21Å; E507-Q510 VanDerWaalsContact O-N 3.11Å; E507-E511 WeakPolarHBondContact O-CG 3.46Å; E507-E511 PolarHBondContact O-N 2.97Å
508	W	93.1	Very high	90.2	Very high	17 Å²	17	49.6 Å²	49.6	6%	0.064	26%	0.255	C	S	.	.	H	α-helix	trans	-58.9	-42.4	176.8	-94	83.9	0	0	0	112.3	L423 T452 D489 T504 L505 Q510 E511 Q512 L518	L423-W508 HydrophobicContact CD1-CB 4.09Å; L423-W508 HydrophobicContact CD1-CD2 3.71Å; L423-W508 HydrophobicContact CD1-CE3 4.17Å; L423-W508 HydrophobicContact CD1-CG 3.64Å; L423-W508 HydrophobicContact CD2-CD2 3.84Å; L423-W508 HydrophobicContact CD2-CE3 3.9Å; L423-W508 HydrophobicContact CD2-CH2 3.78Å; L423-W508 HydrophobicContact CD2-CZ2 3.69Å; L423-W508 HydrophobicContact CD2-CZ3 3.88Å; L423-W508 HydrophobicContact CG-CD2 4.41Å; T452-W508 HydrophobicContact CG2-CH2 4.38Å; T452-W508 HydrophobicContact CG2-CZ2 4.04Å; D489-W508 WeakPolarHBondContact OD2-CZ2 3.31Å; D489-W508 PolarHBondContact OD2-NE1 3.24Å; T504-W508 PolarHBondContact O-N 3.04Å; L505-W508 PolarHBondContact O-N 3.16Å; W508-Q510 VanDerWaalsContact C-N 3.31Å; W508-Q510 PolarHBondContact O-N 3.43Å; W508-E511 PolarHBondContact O-N 3.27Å; W508-E511 VanDerWaalsContact O-N 3.16Å; W508-Q512 HydrophobicContact CE3-CG 3.78Å; W508-Q512 HydrophobicContact CZ3-CG 4.24Å; W508-Q512 VanDerWaalsContact O-CG 3.31Å; W508-Q512 WeakPolarHBondContact O-CG 3.24Å; W508-Q512 PolarHBondContact O-N 3.09Å; W508-L518 HydrophobicContact CB-CD2 3.94Å; W508-L518 HydrophobicContact CE3-CD1 4.13Å
509	R	93	Very high	90.7	Very high	27 Å²	27	47.9 Å²	47.9	10%	0.102	25%	0.245	C	C	.	.	H	α-helix	trans	-61.7	-37	175.2	179	53.9	59.6	-172	5.5	112.4	L505 K506 E507 G513 P514 V516 N542 P581	L505-R509 VanDerWaalsContact O-CB 3.28Å; L505-R509 WeakPolarHBondContact O-CB 3.24Å; L505-R509 PolarHBondContact O-N 3.48Å; K506-R509 PolarHBondContact O-N 3.36Å; E507-R509 VanDerWaalsContact C-N 3.34Å; E507-R509 PolarHBondContact O-N 2.97Å; R509-G513 WeakPolarHBondContact CD-O 3.34Å; R509-G513 PolarHBondContact NH1-O 3.17Å; R509-G513 WeakPolarHBondContact O-CA 3.23Å; R509-G513 PolarHBondContact O-N 3.2Å; R509-P514 PolarHBondContact NH1-O 3.13Å; R509-P514 VanDerWaalsContact NH1-O 3.12Å; R509-V516 PolarHBondContact NH1-O 2.85Å; R509-V516 PolarHBondContact NH2-O 3.35Å; R509-N542 HydrophobicContact CB-CB 4.28Å; R509-N542 VanDerWaalsContact CB-OD1 3.3Å; R509-N542 WeakPolarHBondContact CB-OD1 3.41Å; R509-N542 WeakPolarHBondContact CG-OD1 3.21Å; R509-N542 PolarHBondContact NE-O 2.82Å; R509-N542 PolarHBondContact NH2-O 3.43Å; R509-P581 PolarHBondContact NH2-O 2.88Å
510	Q	92.8	Very high	91.2	Very high	146 Å²	146	47.9 Å²	47.9	68%	0.682	24%	0.244	S	C	*	.	H	α-helix	trans	-69.1	-34.4	174.1	-72.1	170.3	3	0	0	112.5	K506 E507 W508	K506-Q510 VanDerWaalsContact O-CG 3.26Å; K506-Q510 WeakPolarHBondContact O-CG 3.5Å; K506-Q510 PolarHBondContact O-N 3.16Å; E507-Q510 WeakPolarHBondContact O-CB 3.34Å; E507-Q510 PolarHBondContact O-N 3.21Å; E507-Q510 VanDerWaalsContact O-N 3.11Å; W508-Q510 VanDerWaalsContact C-N 3.31Å; W508-Q510 PolarHBondContact O-N 3.43Å
511	E	90.4	Very high	91.4	Very high	111 Å²	111	44.8 Å²	44.8	52%	0.519	23%	0.232	S	C	.	.	H	α-helix	trans	-78	-38.5	177.9	-71.6	168.5	-159.6	0	0	113.8	R491 E507 W508	R491-E511 IonicContact CZ-OE1 3.77Å; R491-E511 IonicContact CZ-OE2 2.8Å; R491-E511 IonicContact NH1-OE1 3.56Å; R491-E511 PolarHBondContact NH1-OE1 2.88Å; R491-E511 IonicContact NH1-OE2 3.61Å; R491-E511 IonicContact NH2-OE1 2.7Å; R491-E511 PolarHBondContact NH2-OE1 3.35Å; R491-E511 IonicContact NH2-OE2 2.68Å; R491-E511 PolarHBondContact NH2-OE2 3.33Å; E507-E511 WeakPolarHBondContact O-CG 3.46Å; E507-E511 PolarHBondContact O-N 2.97Å; W508-E511 PolarHBondContact O-N 3.27Å; W508-E511 VanDerWaalsContact O-N 3.16Å
512	Q	85.4	Confident	91.4	Very high	45 Å²	45	44.1 Å²	44.1	21%	0.21	23%	0.227	C	C	.	.	H	α-helix	trans	-86.3	-24.9	-178.5	-54.8	-41.9	-78.3	0	0	113.1	W508 V516	W508-Q512 HydrophobicContact CE3-CG 3.78Å; W508-Q512 HydrophobicContact CZ3-CG 4.24Å; W508-Q512 VanDerWaalsContact O-CG 3.31Å; W508-Q512 WeakPolarHBondContact O-CG 3.24Å; W508-Q512 PolarHBondContact O-N 3.09Å; Q512-V516 HydrophobicContact CB-CB 4.19Å; Q512-V516 HydrophobicContact CB-CG1 4.31Å; Q512-V516 HydrophobicContact CB-CG2 4.46Å; Q512-V516 VanDerWaalsContact O-CG2 3.24Å; Q512-V516 WeakPolarHBondContact O-CG2 3.18Å
513	G	86.1	Confident	91.1	Very high	21 Å²	21	44.4 Å²	44.4	22%	0.216	23%	0.23	C	C	.	.			trans	93.4	170.7	-175.7	0	0	0	0	0	114.1	R509 D515	R509-G513 WeakPolarHBondContact CD-O 3.34Å; R509-G513 PolarHBondContact NH1-O 3.17Å; R509-G513 WeakPolarHBondContact O-CA 3.23Å; R509-G513 PolarHBondContact O-N 3.2Å; G513-D515 PolarHBondContact O-N 3.23Å
514	P	88	Confident	90.8	Very high	94 Å²	94	41.7 Å²	41.7	61%	0.61	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-33.9	-169	26.7	-33.7	0	0	0	113.9	R509 P581	R509-P514 PolarHBondContact NH1-O 3.13Å; R509-P514 VanDerWaalsContact NH1-O 3.12Å; P514-P581 WeakPolarHBondContact O-CB 3.3Å
515	D	85.1	Confident	90.4	Very high	139 Å²	139	42.5 Å²	42.5	74%	0.743	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-5.5	-167.8	-48.1	-62.2	0	0	0	114.5	G513	G513-D515 PolarHBondContact O-N 3.23Å
516	V	86.9	Confident	90.1	Very high	44 Å²	44	43.6 Å²	43.6	27%	0.267	23%	0.23	S	C	.	.	S	Bend	trans	-78.9	128.7	-177.8	177.8	0	0	0	0	110.3	R509 Q512 L518	R509-V516 PolarHBondContact NH1-O 2.85Å; R509-V516 PolarHBondContact NH2-O 3.35Å; Q512-V516 HydrophobicContact CB-CB 4.19Å; Q512-V516 HydrophobicContact CB-CG1 4.31Å; Q512-V516 HydrophobicContact CB-CG2 4.46Å; Q512-V516 VanDerWaalsContact O-CG2 3.24Å; Q512-V516 WeakPolarHBondContact O-CG2 3.18Å; V516-L518 PolarHBondContact O-N 2.98Å
517	P	89.4	Confident	90	Very high	20 Å²	20	39 Å²	39	13%	0.13	21%	0.21	C	C	.	.			trans	-60.5	122.8	170.1	-21.1	32.6	0	0	0	111.1	L577 H578 Q580	P517-L577 WeakPolarHBondContact CB-O 3.33Å; P517-H578 VanDerWaalsContact CG-O 3.31Å; P517-H578 WeakPolarHBondContact CG-O 3.12Å; P517-Q580 WeakPolarHBondContact CB-O 3.44Å
518	L	92.3	Very high	89.8	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130.9	176.6	-171.7	67.6	0	0	0	108.6	R421 L423 L505 W508 V516 A543 H544 P581	R421-L518 HydrophobicContact CB-CD1 4.26Å; L423-L518 HydrophobicContact CD1-CD1 3.89Å; L423-L518 HydrophobicContact CD1-CD2 4.21Å; L423-L518 HydrophobicContact CD1-CG 4.27Å; L423-L518 HydrophobicContact CG-CD1 3.99Å; L505-L518 HydrophobicContact CD2-CD2 4.5Å; W508-L518 HydrophobicContact CB-CD2 3.94Å; W508-L518 HydrophobicContact CE3-CD1 4.13Å; V516-L518 PolarHBondContact O-N 2.98Å; L518-A543 HydrophobicContact CB-CB 4.38Å; L518-A543 HydrophobicContact CD2-CB 4.31Å; L518-A543 HydrophobicContact CG-CB 4.22Å; L518-A543 CarbonylContact O-C 3.54Å; L518-A543 VanDerWaalsContact O-CA 3.27Å; L518-A543 WeakPolarHBondContact O-CA 3.45Å; L518-A543 WeakPolarHBondContact O-CB 3.44Å; L518-H544 PolarHBondContact O-CD2 3.4Å; L518-H544 PolarHBondContact O-N 3.35Å; L518-P581 PolarHBondContact N-O 2.8Å; L518-P581 VanDerWaalsContact N-O 3.09Å
519	A	93.4	Very high	89.7	Confident	6 Å²	6	40.7 Å²	40.7	5%	0.05	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	146.6	176.3	0	0	0	0	0	112	R421 A422 L423 H544 I546	R421-A519 PolarHBondContact O-N 2.93Å; R421-A519 VanDerWaalsContact O-N 3.07Å; A422-A519 CarbonylContact C-O 3.53Å; A422-A519 WeakPolarHBondContact CA-O 3.28Å; A422-A519 HydrophobicContact CB-CB 4.31Å; L423-A519 PolarHBondContact N-O 2.9Å; A519-H544 CarbonylContact C-O 3.49Å; A519-H544 WeakPolarHBondContact CA-O 3.37Å; A519-H544 HydrophobicContact CB-CB 4.2Å; A519-I546 HydrophobicContact CB-CD1 3.55Å; A519-I546 HydrophobicContact CB-CG1 4.08Å
520	F	95.4	Very high	89.6	Confident	8 Å²	8	39.4 Å²	39.4	4%	0.035	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.2	170.9	-171.4	-112.1	0	0	0	109.8	L423 T501 L505 I522 W533 H544 L545 I546	L423-F520 HydrophobicContact CB-CD2 4Å; L423-F520 CarbonylContact O-C 3.57Å; L423-F520 WeakPolarHBondContact O-CA 3.48Å; L423-F520 WeakPolarHBondContact O-CD2 3.38Å; T501-F520 HydrophobicContact CG2-CD1 3.87Å; T501-F520 HydrophobicContact CG2-CD2 4.35Å; T501-F520 HydrophobicContact CG2-CE1 3.5Å; T501-F520 HydrophobicContact CG2-CE2 4.02Å; T501-F520 HydrophobicContact CG2-CG 4.29Å; T501-F520 HydrophobicContact CG2-CZ 3.59Å; L505-F520 HydrophobicContact CD1-CB 4.05Å; L505-F520 HydrophobicContact CD1-CG 4.17Å; L505-F520 HydrophobicContact CD2-CB 4.13Å; L505-F520 HydrophobicContact CD2-CD2 3.97Å; L505-F520 HydrophobicContact CD2-CG 4.27Å; F520-I522 HydrophobicContact CD1-CG2 3.49Å; F520-I522 VanDerWaalsContact CD1-CG2 3.49Å; F520-I522 HydrophobicContact CE1-CG2 3.31Å; F520-I522 HydrophobicContact CZ-CG2 4.38Å; F520-W533 HydrophobicContact CE1-CH2 4.3Å; F520-W533 HydrophobicContact CE1-CZ3 4.02Å; F520-H544 PolarHBondContact N-O 3.2Å; F520-L545 HydrophobicContact CB-CD1 4.48Å; F520-L545 HydrophobicContact CD1-CD1 4.04Å; F520-L545 WeakPolarHBondContact O-CA 3.47Å; F520-I546 PolarHBondContact O-N 3.26Å
521	I	94.6	Very high	89.6	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128	-177	-59.6	165.3	0	0	0	109.6	A422 L423 F424 V439 L442 L448 V451 I546	A422-I521 HydrophobicContact CB-CD1 3.62Å; A422-I521 HydrophobicContact CB-CG1 4.05Å; L423-I521 PolarHBondContact O-N 3.27Å; F424-I521 HydrophobicContact CB-CB 4.38Å; F424-I521 HydrophobicContact CB-CD1 4.45Å; F424-I521 HydrophobicContact CD2-CB 3.96Å; F424-I521 HydrophobicContact CD2-CG2 3.91Å; F424-I521 HydrophobicContact CE2-CG2 4.25Å; F424-I521 HydrophobicContact CG-CB 4.49Å; V439-I521 HydrophobicContact CG1-CD1 3.93Å; V439-I521 HydrophobicContact CG2-CG2 4.2Å; L442-I521 HydrophobicContact CD2-CD1 3.72Å; L442-I521 HydrophobicContact CD2-CG1 3.86Å; L442-I521 HydrophobicContact CD2-CG2 4.08Å; L448-I521 HydrophobicContact CD1-CD1 4.39Å; V451-I521 HydrophobicContact CG1-CD1 3.91Å; V451-I521 HydrophobicContact CG2-CD1 4.38Å; I521-I546 CarbonylContact C-O 3.49Å; I521-I546 WeakPolarHBondContact CA-O 3.49Å; I521-I546 HydrophobicContact CG1-CB 4.25Å; I521-I546 HydrophobicContact CG1-CD1 4.33Å
522	I	91.5	Very high	89.6	Confident	8 Å²	8	32.7 Å²	32.7	4%	0.041	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	167.4	176.1	64.9	161.8	0	0	0	112.1	F520 L527 F530 W533 L545 I546 V547 C548	F520-I522 HydrophobicContact CD1-CG2 3.49Å; F520-I522 VanDerWaalsContact CD1-CG2 3.49Å; F520-I522 HydrophobicContact CE1-CG2 3.31Å; F520-I522 HydrophobicContact CZ-CG2 4.38Å; I522-L527 HydrophobicContact CD1-CB 4.02Å; I522-F530 HydrophobicContact CD1-CD2 4.34Å; I522-W533 HydrophobicContact CG2-CH2 4.15Å; I522-L545 HydrophobicContact CD1-CD1 3.86Å; I522-L545 HydrophobicContact CD1-CD2 3.83Å; I522-L545 HydrophobicContact CD1-CG 3.95Å; I522-L545 HydrophobicContact CG1-CD1 3.9Å; I522-L545 HydrophobicContact CG1-CG 4.09Å; I522-L545 HydrophobicContact CG2-CD1 4.01Å; I522-I546 PolarHBondContact N-O 3.3Å; I522-V547 HydrophobicContact CD1-CG2 4.08Å; I522-V547 HydrophobicContact CG1-CB 4.38Å; I522-V547 HydrophobicContact CG1-CG1 4.32Å; I522-V547 HydrophobicContact CG1-CG2 3.92Å; I522-V547 WeakPolarHBondContact O-CA 3.39Å; I522-C548 PolarHBondContact O-N 3.24Å
523	G	88	Confident	89.8	Confident	8 Å²	8	32.3 Å²	32.3	8%	0.082	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	159.2	165.7	0	0	0	0	0	112.5	D525 S526 L527	G523-D525 WeakPolarHBondContact CA-OD1 3.41Å; G523-D525 PolarHBondContact O-N 2.99Å; G523-S526 WeakPolarHBondContact O-CA 3.28Å; G523-S526 VanDerWaalsContact O-CB 3.31Å; G523-S526 WeakPolarHBondContact O-CB 3.35Å; G523-S526 PolarHBondContact O-N 3.49Å; G523-L527 PolarHBondContact O-N 2.9Å; G523-L527 VanDerWaalsContact O-N 3.11Å
524	Q	86.5	Confident	90	Very high	12 Å²	12	36 Å²	36	6%	0.056	20%	0.202	C	C	.	.	H	α-helix	trans	-58.9	-25.8	174	-169.9	179.4	-17.6	0	0	113.6	S526 L527 L528 V547 C548 R549 R550 Y553 P554	Q524-S526 VanDerWaalsContact C-N 3.32Å; Q524-L527 PolarHBondContact O-N 2.87Å; Q524-L528 WeakPolarHBondContact O-CG 3.46Å; Q524-L528 PolarHBondContact O-N 3.15Å; Q524-V547 HydrophobicContact CB-CG1 4.2Å; Q524-C548 PolarHBondContact N-O 2.94Å; Q524-C548 VanDerWaalsContact N-O 3.1Å; Q524-R549 VanDerWaalsContact OE1-CA 3.31Å; Q524-R550 HydrophobicContact CB-CB 4.42Å; Q524-R550 PolarHBondContact OE1-O 2.92Å; Q524-Y553 PolarHBondContact NE2-O 3.11Å; Q524-Y553 VanDerWaalsContact NE2-O 3.08Å; Q524-P554 PolarHBondContact NE2-O 2.85Å
525	D	84.5	Confident	90.2	Very high	18 Å²	18	35.6 Å²	35.6	10%	0.096	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-36.1	170.6	60.3	-45.3	0	0	0	112.7	R462 G523 T529 R550 Y553	R462-D525 IonicContact NH2-OD2 2.75Å; R462-D525 PolarHBondContact NH2-OD2 3.02Å; G523-D525 WeakPolarHBondContact CA-OD1 3.41Å; G523-D525 PolarHBondContact O-N 2.99Å; D525-T529 PolarHBondContact O-OG1 2.95Å; D525-T529 VanDerWaalsContact O-OG1 3.05Å; D525-R550 IonicContact OD1-CZ 3.72Å; D525-R550 IonicContact OD1-NE 2.84Å; D525-R550 IonicContact OD1-NH1 3.55Å; D525-R550 PolarHBondContact OD1-NH1 3.28Å; D525-R550 IonicContact OD1-NH2 3.85Å; D525-R550 IonicContact OD2-CZ 3.27Å; D525-R550 IonicContact OD2-NH1 2.97Å; D525-R550 PolarHBondContact OD2-NH1 3.43Å; D525-Y553 HydrophobicContact CB-CD1 4.12Å; D525-Y553 HydrophobicContact CB-CE1 3.49Å; D525-Y553 VanDerWaalsContact CB-CE1 3.49Å; D525-Y553 HydrophobicContact CB-CE2 4.43Å
526	S	88.9	Confident	90.6	Very high	24 Å²	24	30.7 Å²	30.7	17%	0.168	16%	0.163	C	C	.	.	H	α-helix	trans	-74.8	-36.2	173	-63.5	0	0	0	0	112.1	G523 Q524 T529 F530	G523-S526 WeakPolarHBondContact O-CA 3.28Å; G523-S526 VanDerWaalsContact O-CB 3.31Å; G523-S526 WeakPolarHBondContact O-CB 3.35Å; G523-S526 PolarHBondContact O-N 3.49Å; Q524-S526 VanDerWaalsContact C-N 3.32Å; S526-T529 CarbonylContact O-C 3.51Å; S526-T529 PolarHBondContact O-N 2.94Å; S526-T529 PolarHBondContact O-OG1 3.24Å; S526-F530 WeakPolarHBondContact O-CA 3.22Å; S526-F530 WeakPolarHBondContact O-CB 3.27Å; S526-F530 PolarHBondContact O-N 2.97Å
527	L	91.4	Very high	90.8	Very high	8 Å²	8	34.6 Å²	34.6	4%	0.042	18%	0.178	C	C	.	.	H	α-helix	trans	-61	-48.2	178.3	-178.8	67	0	0	0	111.3	I522 G523 Q524 T529 F530 L545 V547 M557 L566 L587	I522-L527 HydrophobicContact CD1-CB 4.02Å; G523-L527 PolarHBondContact O-N 2.9Å; G523-L527 VanDerWaalsContact O-N 3.11Å; Q524-L527 PolarHBondContact O-N 2.87Å; L527-T529 PolarHBondContact O-N 3.43Å; L527-T529 VanDerWaalsContact O-N 3.1Å; L527-F530 WeakPolarHBondContact O-CB 3.45Å; L527-F530 PolarHBondContact O-N 2.98Å; L527-L545 HydrophobicContact CD1-CD2 4.03Å; L527-V547 HydrophobicContact CB-CG1 3.92Å; L527-V547 HydrophobicContact CB-CG2 4.46Å; L527-V547 HydrophobicContact CD1-CG2 4.23Å; L527-V547 HydrophobicContact CD2-CG1 4.07Å; L527-V547 HydrophobicContact CD2-CG2 4.21Å; L527-M557 HydrophobicContact CD1-CE 3.8Å; L527-M557 HydrophobicContact CG-CE 3.86Å; L527-M557 WeakPolarHBondContact O-CE 3.31Å; L527-L566 HydrophobicContact CD1-CD1 4.39Å; L527-L566 HydrophobicContact CD2-CD1 4.17Å; L527-L566 HydrophobicContact CD2-CD2 4.21Å; L527-L587 HydrophobicContact CD2-CD2 3.97Å
528	L	90.1	Very high	91	Very high	48 Å²	48	35.5 Å²	35.5	25%	0.251	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-13.3	-178.8	-67.4	166.9	0	0	0	114	Q524 Y553 P554 E556 M557	Q524-L528 WeakPolarHBondContact O-CG 3.46Å; Q524-L528 PolarHBondContact O-N 3.15Å; L528-Y553 HydrophobicContact CD1-CD1 3.93Å; L528-Y553 HydrophobicContact CD1-CG 4.44Å; L528-P554 HydrophobicContact CD1-CB 4.3Å; L528-P554 HydrophobicContact CD1-CG 4.36Å; L528-P554 HydrophobicContact CD2-CB 4.34Å; L528-E556 WeakPolarHBondContact CD2-O 3.37Å; L528-M557 HydrophobicContact CD2-SD 4.36Å
529	T	89.9	Confident	91.1	Very high	67 Å²	67	35.5 Å²	35.5	41%	0.411	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112	0.9	173.9	52.4	0	0	0	0	113.1	D525 S526 L527 T532	D525-T529 PolarHBondContact O-OG1 2.95Å; D525-T529 VanDerWaalsContact O-OG1 3.05Å; S526-T529 CarbonylContact O-C 3.51Å; S526-T529 PolarHBondContact O-N 2.94Å; S526-T529 PolarHBondContact O-OG1 3.24Å; L527-T529 PolarHBondContact O-N 3.43Å; L527-T529 VanDerWaalsContact O-N 3.1Å; T529-T532 WeakPolarHBondContact O-CB 3.11Å; T529-T532 PolarHBondContact O-N 3.31Å; T529-T532 PolarHBondContact O-OG1 3.39Å
530	F	91.7	Very high	91.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-58	-39.4	-172.7	-167	-94	0	0	0	114.3	I522 S526 L527 T532 W533 Y536 I539 L545 W565	I522-F530 HydrophobicContact CD1-CD2 4.34Å; S526-F530 WeakPolarHBondContact O-CA 3.22Å; S526-F530 WeakPolarHBondContact O-CB 3.27Å; S526-F530 PolarHBondContact O-N 2.97Å; L527-F530 WeakPolarHBondContact O-CB 3.45Å; L527-F530 PolarHBondContact O-N 2.98Å; F530-T532 PolarHBondContact O-N 3.45Å; F530-W533 HydrophobicContact CD2-CD2 4.09Å; F530-W533 AromaticContact CD2-CE3 3.97Å; F530-W533 HydrophobicContact CD2-CE3 3.97Å; F530-W533 HydrophobicContact CD2-CZ3 4.22Å; F530-W533 AromaticContact CE2-CE3 4Å; F530-W533 HydrophobicContact CE2-CE3 4Å; F530-W533 HydrophobicContact CE2-CZ3 4.15Å; F530-W533 VanDerWaalsContact O-CB 3.3Å; F530-W533 WeakPolarHBondContact O-CB 3.27Å; F530-W533 PolarHBondContact O-N 2.7Å; F530-Y536 AromaticContact CD1-CD2 3.87Å; F530-Y536 HydrophobicContact CD1-CD2 3.87Å; F530-Y536 HydrophobicContact CD1-CG 4.4Å; F530-Y536 AromaticContact CE1-CD2 3.97Å; F530-Y536 HydrophobicContact CE1-CD2 3.97Å; F530-Y536 VanDerWaalsContact O-CB 3.3Å; F530-Y536 WeakPolarHBondContact O-CB 3.18Å; F530-I539 HydrophobicContact CE1-CD1 4.48Å; F530-I539 HydrophobicContact CE2-CD1 3.85Å; F530-I539 HydrophobicContact CE2-CG2 4.2Å; F530-I539 HydrophobicContact CZ-CB 3.8Å; F530-I539 HydrophobicContact CZ-CD1 3.65Å; F530-I539 HydrophobicContact CZ-CG1 4.31Å; F530-I539 HydrophobicContact CZ-CG2 3.63Å; F530-L545 HydrophobicContact CD2-CD2 4.14Å; F530-L545 HydrophobicContact CE1-CD2 4.45Å; F530-L545 HydrophobicContact CE2-CD1 3.87Å; F530-L545 HydrophobicContact CE2-CD2 3.78Å; F530-L545 HydrophobicContact CZ-CD1 4.35Å; F530-L545 HydrophobicContact CZ-CD2 3.93Å; F530-W565 AromaticContact CD1-CH2 3.45Å; F530-W565 HydrophobicContact CD1-CH2 3.45Å; F530-W565 VanDerWaalsContact CD1-CH2 3.45Å; F530-W565 HydrophobicContact CD1-CZ2 4.14Å; F530-W565 HydrophobicContact CD1-CZ3 4.15Å; F530-W565 AromaticContact CE1-CH2 3.45Å; F530-W565 HydrophobicContact CE1-CH2 3.45Å; F530-W565 VanDerWaalsContact CE1-CH2 3.45Å; F530-W565 AromaticContact CE1-CZ2 3.83Å; F530-W565 HydrophobicContact CE1-CZ2 3.83Å
531	P	91.7	Very high	91.1	Very high	21 Å²	21	41 Å²	41	14%	0.136	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-65.2	-5.5	175.4	-21.8	34.7	0	0	0	115.3	Y536 Y562	P531-Y536 HydrophobicContact CB-CE1 4.33Å; P531-Y536 HydrophobicContact CB-CE2 4.37Å; P531-Y562 HydrophobicContact CB-CD1 3.79Å; P531-Y562 HydrophobicContact CB-CD2 3.97Å; P531-Y562 HydrophobicContact CB-CE1 3.57Å; P531-Y562 HydrophobicContact CB-CE2 3.75Å; P531-Y562 HydrophobicContact CB-CG 4.01Å; P531-Y562 HydrophobicContact CG-CD1 3.66Å; P531-Y562 HydrophobicContact CG-CD2 3.73Å; P531-Y562 HydrophobicContact CG-CE1 4.01Å; P531-Y562 HydrophobicContact CG-CE2 4.06Å; P531-Y562 HydrophobicContact CG-CG 3.54Å
532	T	90.6	Very high	91.2	Very high	95 Å²	95	42 Å²	42	58%	0.583	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-94.9	-2.7	172.9	72.2	0	0	0	0	113.4	H461 T529 F530	H461-T532 PolarHBondContact CE1-O 3.42Å; T529-T532 WeakPolarHBondContact O-CB 3.11Å; T529-T532 PolarHBondContact O-N 3.31Å; T529-T532 PolarHBondContact O-OG1 3.39Å; F530-T532 PolarHBondContact O-N 3.45Å
533	W	90.5	Very high	91.3	Very high	37 Å²	37	41.6 Å²	41.6	14%	0.14	22%	0.215	C	C	.	.	S	Bend	trans	-79.1	151.1	-178.3	-68	22	0	0	0	111	H461 T501 F520 I522 F530 E535 Y536 I539	H461-W533 AromaticContact NE2-CD1 3.77Å; T501-W533 HydrophobicContact CG2-CZ3 4.17Å; F520-W533 HydrophobicContact CE1-CH2 4.3Å; F520-W533 HydrophobicContact CE1-CZ3 4.02Å; I522-W533 HydrophobicContact CG2-CH2 4.15Å; F530-W533 HydrophobicContact CD2-CD2 4.09Å; F530-W533 AromaticContact CD2-CE3 3.97Å; F530-W533 HydrophobicContact CD2-CE3 3.97Å; F530-W533 HydrophobicContact CD2-CZ3 4.22Å; F530-W533 AromaticContact CE2-CE3 4Å; F530-W533 HydrophobicContact CE2-CE3 4Å; F530-W533 HydrophobicContact CE2-CZ3 4.15Å; F530-W533 VanDerWaalsContact O-CB 3.3Å; F530-W533 WeakPolarHBondContact O-CB 3.27Å; F530-W533 PolarHBondContact O-N 2.7Å; W533-E535 PolarHBondContact O-N 3.44Å; W533-Y536 PolarHBondContact O-N 3.36Å; W533-I539 HydrophobicContact CE3-CD1 3.9Å
534	Y	90.6	Very high	91.7	Very high	98 Å²	98	41.2 Å²	41.2	38%	0.384	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	122.6	177.9	-178	-88.3	0	0	0	111.3	Y500 A502 Y536	Y500-Y534 HydrophobicContact CD1-CD1 4.21Å; Y500-Y534 HydrophobicContact CD1-CD2 4.42Å; Y500-Y534 AromaticContact CD1-CG 3.76Å; Y500-Y534 HydrophobicContact CD1-CG 3.76Å; Y500-Y534 HydrophobicContact CD2-CD1 4.4Å; Y500-Y534 HydrophobicContact CD2-CG 4.45Å; Y500-Y534 HydrophobicContact CE1-CD2 4.22Å; Y500-Y534 HydrophobicContact CE1-CG 4Å; Y500-Y534 AromaticContact CG-CD1 3.99Å; Y500-Y534 HydrophobicContact CG-CD1 3.99Å; Y500-Y534 AromaticContact CG-CG 3.99Å; Y500-Y534 HydrophobicContact CG-CG 3.99Å; A502-Y534 WeakPolarHBondContact CB-O 3.34Å; Y534-Y536 PolarHBondContact O-N 3.23Å
535	E	92.4	Very high	92.1	Very high	86 Å²	86	40.6 Å²	40.6	40%	0.402	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	38.8	-178.5	-66.6	175.3	-163.5	0	0	113.3	A502 W533 E537 T538	A502-E535 HydrophobicContact CB-CB 4.04Å; W533-E535 PolarHBondContact O-N 3.44Å; E535-E537 PolarHBondContact O-N 2.8Å; E535-E537 VanDerWaalsContact O-N 3.09Å; E535-T538 HydrophobicContact CB-CG2 4.18Å; E535-T538 WeakPolarHBondContact O-CB 3.32Å; E535-T538 PolarHBondContact O-N 3.45Å; E535-T538 PolarHBondContact O-OG1 2.88Å
536	Y	92.5	Very high	92.5	Very high	36 Å²	36	39.8 Å²	39.8	14%	0.141	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-34.6	-171.3	81.9	-89.5	0	0	0	114.8	F530 P531 W533 Y534 T538 I539 W565	F530-Y536 AromaticContact CD1-CD2 3.87Å; F530-Y536 HydrophobicContact CD1-CD2 3.87Å; F530-Y536 HydrophobicContact CD1-CG 4.4Å; F530-Y536 AromaticContact CE1-CD2 3.97Å; F530-Y536 HydrophobicContact CE1-CD2 3.97Å; F530-Y536 VanDerWaalsContact O-CB 3.3Å; F530-Y536 WeakPolarHBondContact O-CB 3.18Å; P531-Y536 HydrophobicContact CB-CE1 4.33Å; P531-Y536 HydrophobicContact CB-CE2 4.37Å; W533-Y536 PolarHBondContact O-N 3.36Å; Y534-Y536 PolarHBondContact O-N 3.23Å; Y536-T538 VanDerWaalsContact C-N 3.28Å; Y536-T538 PolarHBondContact O-N 3.32Å; Y536-I539 WeakPolarHBondContact O-CB 3.39Å; Y536-I539 PolarHBondContact O-N 3.23Å; Y536-I539 VanDerWaalsContact O-N 3.17Å; Y536-W565 HydrophobicContact CD2-CZ2 4.26Å; Y536-W565 HydrophobicContact CE2-CZ2 4.3Å
537	E	90.1	Very high	92.7	Very high	126 Å²	126	38.6 Å²	38.6	59%	0.589	20%	0.196	S	C	*	.	H	α-helix	trans	-59.5	-41.6	178.2	-61	174.9	137.6	0	0	110.8	E535 I539 L540	E535-E537 PolarHBondContact O-N 2.8Å; E535-E537 VanDerWaalsContact O-N 3.09Å; E537-I539 PolarHBondContact O-N 2.92Å; E537-I539 VanDerWaalsContact O-N 3.15Å; E537-L540 PolarHBondContact O-N 3.13Å
538	T	94	Very high	92.6	Very high	39 Å²	39	38.8 Å²	38.8	24%	0.239	20%	0.198	C	C	.	.	H	α-helix	trans	-69.1	-12.3	-179.2	73.6	0	0	0	0	113.9	E535 Y536 L540 D541 N542	E535-T538 HydrophobicContact CB-CG2 4.18Å; E535-T538 WeakPolarHBondContact O-CB 3.32Å; E535-T538 PolarHBondContact O-N 3.45Å; E535-T538 PolarHBondContact O-OG1 2.88Å; Y536-T538 VanDerWaalsContact C-N 3.28Å; Y536-T538 PolarHBondContact O-N 3.32Å; T538-L540 VanDerWaalsContact C-N 3.32Å; T538-D541 WeakPolarHBondContact CA-OD2 3.48Å; T538-D541 PolarHBondContact O-N 3.4Å; T538-N542 PolarHBondContact O-N 2.94Å; T538-N542 PolarHBondContact O-ND2 3.26Å
539	I	95.4	Very high	92.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.2	-40.7	174.9	-69.2	172.1	0	0	0	110	T501 A502 L505 F530 W533 Y536 E537 N542 A543	T501-I539 HydrophobicContact CG2-CD1 4.11Å; A502-I539 HydrophobicContact CB-CG1 4.04Å; L505-I539 HydrophobicContact CD1-CB 4.33Å; L505-I539 HydrophobicContact CD1-CG1 4.36Å; L505-I539 HydrophobicContact CD1-CG2 3.57Å; F530-I539 HydrophobicContact CE1-CD1 4.48Å; F530-I539 HydrophobicContact CE2-CD1 3.85Å; F530-I539 HydrophobicContact CE2-CG2 4.2Å; F530-I539 HydrophobicContact CZ-CB 3.8Å; F530-I539 HydrophobicContact CZ-CD1 3.65Å; F530-I539 HydrophobicContact CZ-CG1 4.31Å; F530-I539 HydrophobicContact CZ-CG2 3.63Å; W533-I539 HydrophobicContact CE3-CD1 3.9Å; Y536-I539 WeakPolarHBondContact O-CB 3.39Å; Y536-I539 PolarHBondContact O-N 3.23Å; Y536-I539 VanDerWaalsContact O-N 3.17Å; E537-I539 PolarHBondContact O-N 2.92Å; E537-I539 VanDerWaalsContact O-N 3.15Å; I539-N542 PolarHBondContact O-N 2.93Å; I539-N542 VanDerWaalsContact O-N 3.16Å; I539-A543 PolarHBondContact O-N 2.84Å
540	L	95.1	Very high	91.4	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.037	20%	0.197	C	C	.	.	H	α-helix	trans	-75.1	-22.8	179	-68.9	-171.8	0	0	0	113.4	E537 T538 N542 A543 L545 W565 H569 A582 G583 I585	E537-L540 PolarHBondContact O-N 3.13Å; T538-L540 VanDerWaalsContact C-N 3.32Å; L540-N542 PolarHBondContact O-N 3.41Å; L540-A543 WeakPolarHBondContact CA-O 3.35Å; L540-L545 HydrophobicContact CD2-CB 3.97Å; L540-W565 HydrophobicContact CD1-CH2 4.06Å; L540-W565 HydrophobicContact CD1-CZ2 3.39Å; L540-W565 HydrophobicContact CG-CZ2 4.07Å; L540-H569 HydrophobicContact CD1-CB 3.97Å; L540-A582 WeakPolarHBondContact O-CB 3.37Å; L540-G583 VanDerWaalsContact O-CA 3.27Å; L540-G583 WeakPolarHBondContact O-CA 3.37Å; L540-G583 PolarHBondContact O-N 2.97Å; L540-I585 HydrophobicContact CD1-CD1 4.18Å; L540-I585 HydrophobicContact CD1-CG1 4.19Å; L540-I585 HydrophobicContact CD2-CG1 4.23Å
541	D	94.2	Very high	90.4	Very high	122 Å²	122	43 Å²	43	65%	0.652	21%	0.207	S	C	*	.	H	α-helix	trans	-64.6	-27.8	167.8	-63.5	-31.9	0	0	0	112.2	T538	T538-D541 WeakPolarHBondContact CA-OD2 3.48Å; T538-D541 PolarHBondContact O-N 3.4Å
542	N	95.1	Very high	89.6	Confident	21 Å²	21	45.6 Å²	45.6	11%	0.112	24%	0.238	C	C	.	.	H	α-helix	trans	-106.6	-27.1	-170.8	-72.2	-88.1	0	0	0	113.7	L505 K506 R509 T538 I539 L540	L505-N542 HydrophobicContact CB-CB 4Å; K506-N542 WeakPolarHBondContact CA-OD1 3.36Å; R509-N542 HydrophobicContact CB-CB 4.28Å; R509-N542 VanDerWaalsContact CB-OD1 3.3Å; R509-N542 WeakPolarHBondContact CB-OD1 3.41Å; R509-N542 WeakPolarHBondContact CG-OD1 3.21Å; R509-N542 PolarHBondContact NE-O 2.82Å; R509-N542 PolarHBondContact NH2-O 3.43Å; T538-N542 PolarHBondContact O-N 2.94Å; T538-N542 PolarHBondContact O-ND2 3.26Å; I539-N542 PolarHBondContact O-N 2.93Å; I539-N542 VanDerWaalsContact O-N 3.16Å; L540-N542 PolarHBondContact O-N 3.41Å
543	A	95	Very high	89	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.			trans	-149.8	164.9	178.1	0	0	0	0	0	113.3	L505 L518 I539 L540 G583	L505-A543 HydrophobicContact CD1-CB 4.1Å; L505-A543 HydrophobicContact CD2-CB 4.25Å; L518-A543 HydrophobicContact CB-CB 4.38Å; L518-A543 HydrophobicContact CD2-CB 4.31Å; L518-A543 HydrophobicContact CG-CB 4.22Å; L518-A543 CarbonylContact O-C 3.54Å; L518-A543 VanDerWaalsContact O-CA 3.27Å; L518-A543 WeakPolarHBondContact O-CA 3.45Å; L518-A543 WeakPolarHBondContact O-CB 3.44Å; I539-A543 PolarHBondContact O-N 2.84Å; L540-A543 WeakPolarHBondContact CA-O 3.35Å; A543-G583 PolarHBondContact O-N 3Å
544	H	95	Very high	88.6	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	158.1	156.9	-59.2	-72.7	0	0	0	110.6	L518 A519 F520 L577 Q580 A582 K584	L518-H544 PolarHBondContact O-CD2 3.4Å; L518-H544 PolarHBondContact O-N 3.35Å; A519-H544 CarbonylContact C-O 3.49Å; A519-H544 WeakPolarHBondContact CA-O 3.37Å; A519-H544 HydrophobicContact CB-CB 4.2Å; F520-H544 PolarHBondContact N-O 3.2Å; H544-L577 HydrophobicContact CB-CD2 3.74Å; H544-Q580 PolarHBondContact NE2-O 3.24Å; H544-A582 PolarHBondContact CE1-O 3Å; H544-A582 PolarHBondContact NE2-N 3.37Å; H544-K584 CarbonylContact C-O 3.6Å; H544-K584 VanDerWaalsContact CA-O 3.26Å; H544-K584 WeakPolarHBondContact CA-O 3.48Å; H544-K584 WeakPolarHBondContact CB-O 3.48Å; H544-K584 VanDerWaalsContact ND1-CB 3.34Å; H544-K584 WeakPolarHBondContact ND1-CB 3.32Å; H544-K584 PolarHBondContact ND1-N 2.99Å; H544-K584 VanDerWaalsContact ND1-N 3.12Å
545	L	95.1	Very high	88.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115	176.3	-166.7	68.5	0	0	0	109.7	F520 I522 L527 F530 L540 V547 K584 I585 Y586	F520-L545 HydrophobicContact CB-CD1 4.48Å; F520-L545 HydrophobicContact CD1-CD1 4.04Å; F520-L545 WeakPolarHBondContact O-CA 3.47Å; I522-L545 HydrophobicContact CD1-CD1 3.86Å; I522-L545 HydrophobicContact CD1-CD2 3.83Å; I522-L545 HydrophobicContact CD1-CG 3.95Å; I522-L545 HydrophobicContact CG1-CD1 3.9Å; I522-L545 HydrophobicContact CG1-CG 4.09Å; I522-L545 HydrophobicContact CG2-CD1 4.01Å; L527-L545 HydrophobicContact CD1-CD2 4.03Å; F530-L545 HydrophobicContact CD2-CD2 4.14Å; F530-L545 HydrophobicContact CE1-CD2 4.45Å; F530-L545 HydrophobicContact CE2-CD1 3.87Å; F530-L545 HydrophobicContact CE2-CD2 3.78Å; F530-L545 HydrophobicContact CZ-CD1 4.35Å; F530-L545 HydrophobicContact CZ-CD2 3.93Å; L540-L545 HydrophobicContact CD2-CB 3.97Å; L545-V547 HydrophobicContact CD2-CG2 4.32Å; L545-V547 HydrophobicContact CG-CG2 4.16Å; L545-K584 PolarHBondContact N-O 2.85Å; L545-I585 HydrophobicContact CB-CG1 4.18Å; L545-I585 HydrophobicContact CD2-CG1 4.43Å; L545-I585 CarbonylContact O-C 3.51Å; L545-I585 VanDerWaalsContact O-CA 3.28Å; L545-I585 WeakPolarHBondContact O-CA 3.32Å; L545-Y586 PolarHBondContact O-N 3.44Å
546	I	94	Very high	87.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	123.1	174.9	-58.6	165.4	0	0	0	108.5	L442 I446 A519 F520 I521 I522 L577 Y586 A588	L442-I546 HydrophobicContact CD1-CG2 3.67Å; L442-I546 HydrophobicContact CD2-CB 4.39Å; L442-I546 HydrophobicContact CD2-CD1 4.45Å; L442-I546 HydrophobicContact CD2-CG2 3.54Å; L442-I546 HydrophobicContact CG-CG2 4.24Å; I446-I546 HydrophobicContact CD1-CD1 3.58Å; A519-I546 HydrophobicContact CB-CD1 3.55Å; A519-I546 HydrophobicContact CB-CG1 4.08Å; F520-I546 PolarHBondContact O-N 3.26Å; I521-I546 CarbonylContact C-O 3.49Å; I521-I546 WeakPolarHBondContact CA-O 3.49Å; I521-I546 HydrophobicContact CG1-CB 4.25Å; I521-I546 HydrophobicContact CG1-CD1 4.33Å; I522-I546 PolarHBondContact N-O 3.3Å; I546-L577 HydrophobicContact CD1-CD1 4.26Å; I546-L577 HydrophobicContact CG1-CD1 4.13Å; I546-Y586 HydrophobicContact CG2-CD1 4.25Å; I546-A588 HydrophobicContact CG2-CB 4.02Å
547	V	92.3	Very high	87.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	106.6	-172.9	-170.4	0	0	0	0	109.8	I522 Q524 L527 L545 R549 I585 Y586 L587 A588	I522-V547 HydrophobicContact CD1-CG2 4.08Å; I522-V547 HydrophobicContact CG1-CB 4.38Å; I522-V547 HydrophobicContact CG1-CG1 4.32Å; I522-V547 HydrophobicContact CG1-CG2 3.92Å; I522-V547 WeakPolarHBondContact O-CA 3.39Å; Q524-V547 HydrophobicContact CB-CG1 4.2Å; L527-V547 HydrophobicContact CB-CG1 3.92Å; L527-V547 HydrophobicContact CB-CG2 4.46Å; L527-V547 HydrophobicContact CD1-CG2 4.23Å; L527-V547 HydrophobicContact CD2-CG1 4.07Å; L527-V547 HydrophobicContact CD2-CG2 4.21Å; L545-V547 HydrophobicContact CD2-CG2 4.32Å; L545-V547 HydrophobicContact CG-CG2 4.16Å; V547-R549 PolarHBondContact O-N 3.34Å; V547-I585 HydrophobicContact CG2-CG2 3.92Å; V547-Y586 PolarHBondContact N-O 3.17Å; V547-L587 HydrophobicContact CB-CD2 3.73Å; V547-L587 HydrophobicContact CG1-CD2 4.25Å; V547-L587 HydrophobicContact CG2-CD2 3.94Å; V547-A588 PolarHBondContact O-N 3.33Å
548	C	88.8	Confident	87.7	Confident	11 Å²	11	49.3 Å²	49.3	7%	0.074	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	115.3	171.7	-61.2	0	0	0	0	109.3	I522 Q524 T590	I522-C548 PolarHBondContact O-N 3.24Å; Q524-C548 PolarHBondContact N-O 2.94Å; Q524-C548 VanDerWaalsContact N-O 3.1Å; C548-T590 HydrophobicContact CB-CG2 4.4Å
549	R	84.1	Confident	87.6	Confident	72 Å²	72	52 Å²	52	27%	0.272	29%	0.289	S	S	.	.			trans	-62.5	147.9	-179.8	-63.5	-178.2	74.3	175.5	6.7	111.3	Q524 V547 A588 E589	Q524-R549 VanDerWaalsContact OE1-CA 3.31Å; V547-R549 PolarHBondContact O-N 3.34Å; R549-A588 PolarHBondContact N-O 2.92Å; R549-E589 IonicContact CZ-OE1 2.77Å; R549-E589 IonicContact NH1-OE1 3.23Å; R549-E589 PolarHBondContact NH1-OE1 2.85Å
550	R	71.8	Confident	87.4	Confident	98 Å²	98	57.4 Å²	57.4	37%	0.37	33%	0.325	S	S	.	.			trans	-132.8	139.8	179.9	-70.7	-171.2	177.5	171.6	11	112.1	Q524 D525 Y553	Q524-R550 HydrophobicContact CB-CB 4.42Å; Q524-R550 PolarHBondContact OE1-O 2.92Å; D525-R550 IonicContact OD1-CZ 3.72Å; D525-R550 IonicContact OD1-NE 2.84Å; D525-R550 IonicContact OD1-NH1 3.55Å; D525-R550 PolarHBondContact OD1-NH1 3.28Å; D525-R550 IonicContact OD1-NH2 3.85Å; D525-R550 IonicContact OD2-CZ 3.27Å; D525-R550 IonicContact OD2-NH1 2.97Å; D525-R550 PolarHBondContact OD2-NH1 3.43Å; R550-Y553 HydrophobicContact CB-CD2 3.65Å; R550-Y553 HydrophobicContact CB-CE2 4.11Å
551	P	69.5	Low	87.4	Confident	33 Å²	33	62.9 Å²	62.9	21%	0.214	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	142.6	175.1	22.8	-31.7	0	0	0	112	K263 Y553 W592	K263-P551 HydrophobicContact CB-CB 4.3Å; P551-Y553 VanDerWaalsContact C-N 3.31Å; P551-Y553 WeakPolarHBondContact O-CD2 3.39Å; P551-Y553 PolarHBondContact O-N 2.77Å; P551-W592 HydrophobicContact CB-CD2 4.34Å; P551-W592 HydrophobicContact CB-CE3 3.61Å; P551-W592 HydrophobicContact CB-CZ3 3.74Å; P551-W592 HydrophobicContact CG-CB 4.5Å; P551-W592 HydrophobicContact CG-CD2 4.27Å; P551-W592 HydrophobicContact CG-CE3 3.87Å; P551-W592 HydrophobicContact CG-CZ3 4.49Å
552	G	74.9	Confident	87.3	Confident	76 Å²	76	59.6 Å²	59.6	78%	0.784	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-5.1	174.5	0	0	0	0	0	116
553	Y	79.1	Confident	87.2	Confident	101 Å²	101	60.3 Å²	60.3	40%	0.396	33%	0.331	S	S	.	.	S	Bend	trans	-92.3	138.6	175.9	-72.5	-90	0	0	0	111.5	Q524 D525 L528 R550 P551	Q524-Y553 PolarHBondContact NE2-O 3.11Å; Q524-Y553 VanDerWaalsContact NE2-O 3.08Å; D525-Y553 HydrophobicContact CB-CD1 4.12Å; D525-Y553 HydrophobicContact CB-CE1 3.49Å; D525-Y553 VanDerWaalsContact CB-CE1 3.49Å; D525-Y553 HydrophobicContact CB-CE2 4.43Å; L528-Y553 HydrophobicContact CD1-CD1 3.93Å; L528-Y553 HydrophobicContact CD1-CG 4.44Å; R550-Y553 HydrophobicContact CB-CD2 3.65Å; R550-Y553 HydrophobicContact CB-CE2 4.11Å; P551-Y553 VanDerWaalsContact C-N 3.31Å; P551-Y553 WeakPolarHBondContact O-CD2 3.39Å; P551-Y553 PolarHBondContact O-N 2.77Å
554	P	82.5	Confident	87.1	Confident	81 Å²	81	65 Å²	65	53%	0.526	35%	0.354	S	S	.	.			trans	-51.2	146.1	172.9	-29.8	35.3	0	0	0	113.7	Q524 L528	Q524-P554 PolarHBondContact NE2-O 2.85Å; L528-P554 HydrophobicContact CD1-CB 4.3Å; L528-P554 HydrophobicContact CD1-CG 4.36Å; L528-P554 HydrophobicContact CD2-CB 4.34Å
555	L	79.7	Confident	87.1	Confident	115 Å²	115	66.5 Å²	66.5	60%	0.602	36%	0.359	S	S	*	.	S	Bend	trans	-83.8	-21.8	175.4	-56.2	-171.7	0	0	0	112.7
556	E	87.6	Confident	87	Confident	141 Å²	141	66.8 Å²	66.8	66%	0.659	36%	0.361	S	S	*	.	S	Bend	trans	-109.7	148.8	-176.5	-66.8	166.8	-158.3	0	0	110.8	L528 Q563	L528-E556 WeakPolarHBondContact CD2-O 3.37Å; E556-Q563 VanDerWaalsContact CA-OE1 3.32Å
557	M	90.6	Very high	86.9	Confident	13 Å²	13	71.3 Å²	71.3	6%	0.064	38%	0.382	C	S	.	.			trans	-72.2	141.7	172.9	-67.9	-74.7	-150.2	0	0	111.3	L527 L528 Q559 Q563 W565 L566	L527-M557 HydrophobicContact CD1-CE 3.8Å; L527-M557 HydrophobicContact CG-CE 3.86Å; L527-M557 WeakPolarHBondContact O-CE 3.31Å; L528-M557 HydrophobicContact CD2-SD 4.36Å; M557-Q559 PolarHBondContact O-N 2.92Å; M557-Q563 HydrophobicContact CB-CB 4.17Å; M557-W565 HydrophobicContact CE-CE3 4.24Å; M557-W565 HydrophobicContact CE-CZ3 3.93Å; M557-L566 HydrophobicContact CE-CB 4.36Å; M557-L566 HydrophobicContact CE-CD2 4.38Å; M557-L566 HydrophobicContact CG-CB 4.39Å; M557-L566 HydrophobicContact CG-CD2 3.99Å
558	A	88.2	Confident	87	Confident	105 Å²	105	76 Å²	76	87%	0.868	41%	0.407	S	S	*	.	S	Bend	trans	-67.1	-2.4	-175	0	0	0	0	0	115.9
559	Q	91.4	Very high	87.3	Confident	95 Å²	95	77.9 Å²	77.9	44%	0.444	42%	0.415	S	S	.	.	S	Bend	trans	-138.8	133.7	174.2	-59.5	-176.6	3.8	0	0	109.6	M557 Q561 Y562 Q563	M557-Q559 PolarHBondContact O-N 2.92Å; Q559-Q561 HydrophobicContact CB-CG 4.36Å; Q559-Q561 PolarHBondContact O-N 2.93Å; Q559-Q561 VanDerWaalsContact O-N 3.11Å; Q559-Y562 HydrophobicContact CB-CD2 3.8Å; Q559-Y562 HydrophobicContact CB-CE2 4.2Å; Q559-Y562 HydrophobicContact CG-CD2 4.25Å; Q559-Y562 HydrophobicContact CG-CE2 4.29Å; Q559-Y562 PolarHBondContact O-N 2.93Å; Q559-Q563 PolarHBondContact O-N 2.9Å
560	P	92	Very high	87.8	Confident	115 Å²	115	76.5 Å²	76.5	75%	0.747	41%	0.412	S	S	*	.	H	α-helix	trans	-55.6	-33	-175.8	-29.5	36	0	0	0	115	Y562 Q563 Q564	P560-Y562 VanDerWaalsContact C-N 3.29Å; P560-Y562 PolarHBondContact O-N 3.39Å; P560-Q563 PolarHBondContact O-N 2.98Å; P560-Q564 PolarHBondContact O-N 3.43Å
561	Q	93.9	Very high	88.7	Confident	122 Å²	122	72.3 Å²	72.3	57%	0.57	40%	0.397	S	S	*	.	H	α-helix	trans	-63.1	-34.1	177.3	69.5	-176.3	39.4	0	0	113.1	Q559 W565	Q559-Q561 HydrophobicContact CB-CG 4.36Å; Q559-Q561 PolarHBondContact O-N 2.93Å; Q559-Q561 VanDerWaalsContact O-N 3.11Å; Q561-W565 WeakPolarHBondContact O-CB 3.46Å; Q561-W565 PolarHBondContact O-N 3.09Å; Q561-W565 VanDerWaalsContact O-N 3.11Å
562	Y	93.6	Very high	89.7	Confident	52 Å²	52	78.4 Å²	78.4	20%	0.204	42%	0.423	C	S	.	.	H	α-helix	trans	-83.6	-25.3	177	-57	-43.7	0	0	0	111.9	P531 Q559 P560 L566	P531-Y562 HydrophobicContact CB-CD1 3.79Å; P531-Y562 HydrophobicContact CB-CD2 3.97Å; P531-Y562 HydrophobicContact CB-CE1 3.57Å; P531-Y562 HydrophobicContact CB-CE2 3.75Å; P531-Y562 HydrophobicContact CB-CG 4.01Å; P531-Y562 HydrophobicContact CG-CD1 3.66Å; P531-Y562 HydrophobicContact CG-CD2 3.73Å; P531-Y562 HydrophobicContact CG-CE1 4.01Å; P531-Y562 HydrophobicContact CG-CE2 4.06Å; P531-Y562 HydrophobicContact CG-CG 3.54Å; Q559-Y562 HydrophobicContact CB-CD2 3.8Å; Q559-Y562 HydrophobicContact CB-CE2 4.2Å; Q559-Y562 HydrophobicContact CG-CD2 4.25Å; Q559-Y562 HydrophobicContact CG-CE2 4.29Å; Q559-Y562 PolarHBondContact O-N 2.93Å; P560-Y562 VanDerWaalsContact C-N 3.29Å; P560-Y562 PolarHBondContact O-N 3.39Å; Y562-L566 WeakPolarHBondContact O-CB 3.26Å; Y562-L566 PolarHBondContact O-N 3.2Å
563	Q	93.2	Very high	90.2	Very high	36 Å²	36	77.8 Å²	77.8	17%	0.168	40%	0.401	C	S	.	.	H	α-helix	trans	-67.1	-46.3	170.4	-175.4	59	26.8	0	0	110.5	E556 M557 Q559 P560 L566 E567	E556-Q563 VanDerWaalsContact CA-OE1 3.32Å; M557-Q563 HydrophobicContact CB-CB 4.17Å; Q559-Q563 PolarHBondContact O-N 2.9Å; P560-Q563 PolarHBondContact O-N 2.98Å; Q563-L566 WeakPolarHBondContact O-CB 3.32Å; Q563-L566 PolarHBondContact O-N 3.42Å; Q563-E567 WeakPolarHBondContact CG-OE1 3.34Å; Q563-E567 PolarHBondContact NE2-OE1 3.32Å; Q563-E567 WeakPolarHBondContact O-CG 3.44Å; Q563-E567 PolarHBondContact O-N 3.28Å
564	Q	93.1	Very high	90.3	Very high	99 Å²	99	74.8 Å²	74.8	46%	0.463	40%	0.395	S	S	.	.	H	α-helix	trans	-59.4	-48.5	173.1	-171	65.6	67.1	0	0	111.3	P560 L566 E567 D568	P560-Q564 PolarHBondContact O-N 3.43Å; Q564-L566 VanDerWaalsContact C-N 3.27Å; Q564-L566 PolarHBondContact O-N 3.49Å; Q564-E567 PolarHBondContact O-N 2.8Å; Q564-E567 VanDerWaalsContact O-N 3.11Å; Q564-D568 PolarHBondContact NE2-OD1 2.97Å; Q564-D568 WeakPolarHBondContact O-CB 3.32Å; Q564-D568 PolarHBondContact O-N 2.98Å
565	W	93.6	Very high	90.1	Very high	32 Å²	32	76.5 Å²	76.5	12%	0.121	40%	0.396	C	S	.	.	H	α-helix	trans	-57.8	-37.2	175.8	170.7	89.9	0	0	0	113.1	F530 Y536 L540 M557 Q561 H569 I585	F530-W565 AromaticContact CD1-CH2 3.45Å; F530-W565 HydrophobicContact CD1-CH2 3.45Å; F530-W565 VanDerWaalsContact CD1-CH2 3.45Å; F530-W565 HydrophobicContact CD1-CZ2 4.14Å; F530-W565 HydrophobicContact CD1-CZ3 4.15Å; F530-W565 AromaticContact CE1-CH2 3.45Å; F530-W565 HydrophobicContact CE1-CH2 3.45Å; F530-W565 VanDerWaalsContact CE1-CH2 3.45Å; F530-W565 AromaticContact CE1-CZ2 3.83Å; F530-W565 HydrophobicContact CE1-CZ2 3.83Å; Y536-W565 HydrophobicContact CD2-CZ2 4.26Å; Y536-W565 HydrophobicContact CE2-CZ2 4.3Å; L540-W565 HydrophobicContact CD1-CH2 4.06Å; L540-W565 HydrophobicContact CD1-CZ2 3.39Å; L540-W565 HydrophobicContact CG-CZ2 4.07Å; M557-W565 HydrophobicContact CE-CE3 4.24Å; M557-W565 HydrophobicContact CE-CZ3 3.93Å; Q561-W565 WeakPolarHBondContact O-CB 3.46Å; Q561-W565 PolarHBondContact O-N 3.09Å; Q561-W565 VanDerWaalsContact O-N 3.11Å; W565-H569 AromaticContact CD1-CE1 3.67Å; W565-H569 AromaticContact CD1-ND1 3.89Å; W565-H569 AromaticContact NE1-CE1 3.61Å; W565-H569 AromaticContact NE1-ND1 3.86Å; W565-H569 PolarHBondContact O-ND1 3.16Å; W565-I585 HydrophobicContact CE3-CD1 4.42Å; W565-I585 HydrophobicContact CH2-CD1 3.8Å; W565-I585 HydrophobicContact CZ2-CD1 4.46Å; W565-I585 HydrophobicContact CZ3-CD1 3.78Å
566	L	92.7	Very high	90.3	Very high	6 Å²	6	72.6 Å²	72.6	3%	0.031	38%	0.375	C	S	.	.	H	α-helix	trans	-65.8	-47	174.6	170.3	59.4	0	0	0	110.8	L527 M557 Y562 Q563 Q564 H569 L570 I585	L527-L566 HydrophobicContact CD1-CD1 4.39Å; L527-L566 HydrophobicContact CD2-CD1 4.17Å; L527-L566 HydrophobicContact CD2-CD2 4.21Å; M557-L566 HydrophobicContact CE-CB 4.36Å; M557-L566 HydrophobicContact CE-CD2 4.38Å; M557-L566 HydrophobicContact CG-CB 4.39Å; M557-L566 HydrophobicContact CG-CD2 3.99Å; Y562-L566 WeakPolarHBondContact O-CB 3.26Å; Y562-L566 PolarHBondContact O-N 3.2Å; Q563-L566 WeakPolarHBondContact O-CB 3.32Å; Q563-L566 PolarHBondContact O-N 3.42Å; Q564-L566 VanDerWaalsContact C-N 3.27Å; Q564-L566 PolarHBondContact O-N 3.49Å; L566-H569 PolarHBondContact O-N 3.42Å; L566-L570 WeakPolarHBondContact O-CB 3.44Å; L566-L570 PolarHBondContact O-N 3Å; L566-I585 HydrophobicContact CD1-CB 4.31Å; L566-I585 HydrophobicContact CD1-CD1 3.65Å; L566-I585 HydrophobicContact CD1-CG2 3.84Å
567	E	93.5	Very high	90.3	Very high	95 Å²	95	66.2 Å²	66.2	44%	0.444	35%	0.345	S	S	.	.	H	α-helix	trans	-64.2	-41.3	179.3	-72.8	170.3	-162.9	0	0	112.7	Q563 Q564 H569 L570	Q563-E567 WeakPolarHBondContact CG-OE1 3.34Å; Q563-E567 PolarHBondContact NE2-OE1 3.32Å; Q563-E567 WeakPolarHBondContact O-CG 3.44Å; Q563-E567 PolarHBondContact O-N 3.28Å; Q564-E567 PolarHBondContact O-N 2.8Å; Q564-E567 VanDerWaalsContact O-N 3.11Å; E567-H569 PolarHBondContact O-N 3.45Å; E567-L570 WeakPolarHBondContact O-CB 3.46Å; E567-L570 PolarHBondContact O-N 2.82Å; E567-L570 VanDerWaalsContact O-N 3.16Å
568	D	93.6	Very high	89.9	Confident	99 Å²	99	67.9 Å²	67.9	53%	0.529	35%	0.353	S	S	.	.	H	α-helix	trans	-60	-30.5	179.1	-65.7	-18.5	0	0	0	112.7	Q564	Q564-D568 PolarHBondContact NE2-OD1 2.97Å; Q564-D568 WeakPolarHBondContact O-CB 3.32Å; Q564-D568 PolarHBondContact O-N 2.98Å
569	H	94.8	Very high	89.5	Confident	50 Å²	50	69 Å²	69	23%	0.231	34%	0.344	C	S	.	.	H	α-helix	trans	-102.8	-7.4	179.2	-60.6	90.8	0	0	0	113.6	L540 W565 L566 E567 K584 I585	L540-H569 HydrophobicContact CD1-CB 3.97Å; W565-H569 AromaticContact CD1-CE1 3.67Å; W565-H569 AromaticContact CD1-ND1 3.89Å; W565-H569 AromaticContact NE1-CE1 3.61Å; W565-H569 AromaticContact NE1-ND1 3.86Å; W565-H569 PolarHBondContact O-ND1 3.16Å; L566-H569 PolarHBondContact O-N 3.42Å; E567-H569 PolarHBondContact O-N 3.45Å; H569-K584 CarbonylContact O-C 3.58Å; H569-K584 VanDerWaalsContact O-CA 3.31Å; H569-K584 WeakPolarHBondContact O-CA 3.32Å; H569-K584 WeakPolarHBondContact O-CD 3.44Å; H569-I585 HydrophobicContact CB-CD1 3.93Å; H569-I585 HydrophobicContact CB-CG1 3.87Å; H569-I585 PolarHBondContact O-N 3.18Å
570	L	94.5	Very high	89.2	Confident	43 Å²	43	67.8 Å²	67.8	23%	0.225	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	141.7	-175.7	-172.6	61.2	0	0	0	111.2	L566 E567 I585 L587	L566-L570 WeakPolarHBondContact O-CB 3.44Å; L566-L570 PolarHBondContact O-N 3Å; E567-L570 WeakPolarHBondContact O-CB 3.46Å; E567-L570 PolarHBondContact O-N 2.82Å; E567-L570 VanDerWaalsContact O-N 3.16Å; L570-I585 CarbonylContact C-O 3.57Å; L570-I585 WeakPolarHBondContact CA-O 3.29Å; L570-L587 HydrophobicContact CD1-CD1 3.97Å; L570-L587 HydrophobicContact CD1-CG 3.8Å
571	T	91.9	Very high	89.2	Confident	9 Å²	9	64.8 Å²	64.8	6%	0.055	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.8	162.6	-173	0	0	0	0	111.4	N573 D576 K584 I585 Y586	T571-N573 PolarHBondContact OG1-N 3.43Å; T571-N573 PolarHBondContact OG1-O 2.75Å; T571-D576 WeakPolarHBondContact CB-OD2 3.29Å; T571-D576 HydrophobicContact CG2-CB 4.09Å; T571-D576 PolarHBondContact OG1-OD2 3.31Å; T571-K584 HydrophobicContact CG2-CB 4.06Å; T571-I585 PolarHBondContact N-O 3.36Å; T571-Y586 HydrophobicContact CG2-CD2 4.4Å; T571-Y586 WeakPolarHBondContact O-CD2 3.39Å
572	H	89.7	Confident	89.2	Confident	162 Å²	162	59.7 Å²	59.7	75%	0.75	30%	0.298	S	S	*	.	S	Bend	trans	-101.8	-3	169.5	-58.9	-67.1	0	0	0	112.1
573	N	84.6	Confident	89.2	Confident	62 Å²	62	58.2 Å²	58.2	33%	0.332	30%	0.298	S	S	.	.			trans	-104.4	112.1	178.9	178.9	27.7	0	0	0	110.8	T571 E575 D576	T571-N573 PolarHBondContact OG1-N 3.43Å; T571-N573 PolarHBondContact OG1-O 2.75Å; N573-E575 PolarHBondContact O-N 2.88Å; N573-E575 PolarHBondContact OD1-N 2.89Å; N573-D576 PolarHBondContact ND2-OD1 2.98Å; N573-D576 WeakPolarHBondContact O-CB 3.47Å; N573-D576 PolarHBondContact O-N 3.43Å
574	P	80.9	Confident	89.3	Confident	39 Å²	39	58.7 Å²	58.7	25%	0.253	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-27.9	175.5	-26.8	36	0	0	0	114.5	I446 D576 L577 Y586	I446-P574 HydrophobicContact CB-CB 4.21Å; I446-P574 HydrophobicContact CG2-CB 3.9Å; I446-P574 HydrophobicContact CG2-CG 4.3Å; P574-D576 PolarHBondContact O-N 2.9Å; P574-L577 WeakPolarHBondContact O-CB 3.48Å; P574-L577 PolarHBondContact O-N 3.38Å; P574-Y586 HydrophobicContact CG-CE2 3.99Å
575	E	78.8	Confident	89.4	Confident	117 Å²	117	54 Å²	54	55%	0.547	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-25.2	179.8	-58.3	-171.8	148.4	0	0	112.6	N573 L577 H578 L579	N573-E575 PolarHBondContact O-N 2.88Å; N573-E575 PolarHBondContact OD1-N 2.89Å; E575-L577 PolarHBondContact O-N 2.83Å; E575-H578 PolarHBondContact O-N 3.44Å; E575-L579 HydrophobicContact CB-CD1 4.11Å; E575-L579 VanDerWaalsContact O-CG 3.28Å; E575-L579 WeakPolarHBondContact O-CG 3.22Å; E575-L579 PolarHBondContact O-N 3.33Å
576	D	84.4	Confident	89.4	Confident	33 Å²	33	54.1 Å²	54.1	18%	0.176	28%	0.278	C	S	.	.	H	α-helix	trans	-59.3	-31.4	176.9	-69.4	6.7	0	0	0	111.9	T571 N573 P574 H578 L579 Q580	T571-D576 WeakPolarHBondContact CB-OD2 3.29Å; T571-D576 HydrophobicContact CG2-CB 4.09Å; T571-D576 PolarHBondContact OG1-OD2 3.31Å; N573-D576 PolarHBondContact ND2-OD1 2.98Å; N573-D576 WeakPolarHBondContact O-CB 3.47Å; N573-D576 PolarHBondContact O-N 3.43Å; P574-D576 PolarHBondContact O-N 2.9Å; D576-H578 PolarHBondContact O-N 3.34Å; D576-L579 PolarHBondContact O-N 3.08Å; D576-Q580 PolarHBondContact O-N 3.12Å
577	L	86.6	Confident	89.4	Confident	6 Å²	6	56.4 Å²	56.4	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-70.4	-12.6	177.6	-56.6	173.9	0	0	0	113.6	I446 P517 H544 I546 P574 E575 K584 Y586	I446-L577 HydrophobicContact CD1-CD1 3.74Å; P517-L577 WeakPolarHBondContact CB-O 3.33Å; H544-L577 HydrophobicContact CB-CD2 3.74Å; I546-L577 HydrophobicContact CD1-CD1 4.26Å; I546-L577 HydrophobicContact CG1-CD1 4.13Å; P574-L577 WeakPolarHBondContact O-CB 3.48Å; P574-L577 PolarHBondContact O-N 3.38Å; E575-L577 PolarHBondContact O-N 2.83Å; L577-K584 HydrophobicContact CD2-CB 4.4Å; L577-Y586 HydrophobicContact CD1-CD1 4.03Å; L577-Y586 HydrophobicContact CD1-CG 3.96Å
578	H	82.5	Confident	89	Confident	48 Å²	48	51.9 Å²	51.9	22%	0.222	27%	0.269	C	S	.	.	H	α-helix	trans	-113.5	-18.7	-179.9	-53.8	-47.8	0	0	0	112.7	H420 I446 P517 E575 D576	H420-H578 AromaticContact CD2-CE1 3.81Å; H420-H578 AromaticContact CD2-CG 3.69Å; H420-H578 AromaticContact CD2-ND1 3.18Å; H420-H578 PolarHBondContact CD2-ND1 2.99Å; H420-H578 AromaticContact CG-CE1 3.97Å; H420-H578 AromaticContact CG-ND1 3.76Å; I446-H578 PolarHBondContact O-CE1 3.49Å; I446-H578 PolarHBondContact O-NE2 2.92Å; P517-H578 VanDerWaalsContact CG-O 3.31Å; P517-H578 WeakPolarHBondContact CG-O 3.12Å; E575-H578 PolarHBondContact O-N 3.44Å; D576-H578 PolarHBondContact O-N 3.34Å
579	L	80.4	Confident	88.5	Confident	129 Å²	129	53.5 Å²	53.5	68%	0.675	27%	0.274	S	S	*	.	H	α-helix	trans	-94.5	-18.9	-178.7	-68.8	171.5	0	0	0	113.4	E575 D576	E575-L579 HydrophobicContact CB-CD1 4.11Å; E575-L579 VanDerWaalsContact O-CG 3.28Å; E575-L579 WeakPolarHBondContact O-CG 3.22Å; E575-L579 PolarHBondContact O-N 3.33Å; D576-L579 PolarHBondContact O-N 3.08Å
580	Q	86	Confident	87.7	Confident	70 Å²	70	51.3 Å²	51.3	33%	0.327	26%	0.264	S	S	.	.	S	Bend	trans	-115.9	159.2	176.8	-73.9	161.8	64.1	0	0	109.8	P517 H544 D576 K584	P517-Q580 WeakPolarHBondContact CB-O 3.44Å; H544-Q580 PolarHBondContact NE2-O 3.24Å; D576-Q580 PolarHBondContact O-N 3.12Å; Q580-K584 VanDerWaalsContact OE1-CE 3.3Å
581	P	90.5	Very high	86.5	Confident	52 Å²	52	52 Å²	52	34%	0.338	27%	0.271	S	S	.	.	S	Bend	trans	-81	-35.8	178.8	29.2	-32.8	0	0	0	112.9	R509 P514 L518	R509-P581 PolarHBondContact NH2-O 2.88Å; P514-P581 WeakPolarHBondContact O-CB 3.3Å; L518-P581 PolarHBondContact N-O 2.8Å; L518-P581 VanDerWaalsContact N-O 3.09Å
582	A	93.8	Very high	85.6	Confident	15 Å²	15	57 Å²	57	12%	0.124	29%	0.289	C	S	.	.	S	Bend	trans	-160.2	-177.9	-173.4	0	0	0	0	0	110.6	L540 H544	L540-A582 WeakPolarHBondContact O-CB 3.37Å; H544-A582 PolarHBondContact CE1-O 3Å; H544-A582 PolarHBondContact NE2-N 3.37Å
583	G	94.4	Very high	84.7	Confident	21 Å²	21	53 Å²	53	22%	0.216	27%	0.27	C	S	.	.			trans	86.1	21.8	165.1	0	0	0	0	0	116.9	L540 A543	L540-G583 VanDerWaalsContact O-CA 3.27Å; L540-G583 WeakPolarHBondContact O-CA 3.37Å; L540-G583 PolarHBondContact O-N 2.97Å; A543-G583 PolarHBondContact O-N 3Å
584	K	95	Very high	84.3	Confident	46 Å²	46	54.1 Å²	54.1	20%	0.2	28%	0.275	C	S	.	.			trans	-130	147.7	171.4	-62.4	-67	179.9	-172.5	0	112.7	H544 L545 H569 T571 L577 Q580	H544-K584 CarbonylContact C-O 3.6Å; H544-K584 VanDerWaalsContact CA-O 3.26Å; H544-K584 WeakPolarHBondContact CA-O 3.48Å; H544-K584 WeakPolarHBondContact CB-O 3.48Å; H544-K584 VanDerWaalsContact ND1-CB 3.34Å; H544-K584 WeakPolarHBondContact ND1-CB 3.32Å; H544-K584 PolarHBondContact ND1-N 2.99Å; H544-K584 VanDerWaalsContact ND1-N 3.12Å; L545-K584 PolarHBondContact N-O 2.85Å; H569-K584 CarbonylContact O-C 3.58Å; H569-K584 VanDerWaalsContact O-CA 3.31Å; H569-K584 WeakPolarHBondContact O-CA 3.32Å; H569-K584 WeakPolarHBondContact O-CD 3.44Å; T571-K584 HydrophobicContact CG2-CB 4.06Å; L577-K584 HydrophobicContact CD2-CB 4.4Å; Q580-K584 VanDerWaalsContact OE1-CE 3.3Å
585	I	95.2	Very high	84.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126	172	-54.1	175	0	0	0	108.3	L540 L545 V547 W565 L566 H569 L570 T571 L587	L540-I585 HydrophobicContact CD1-CD1 4.18Å; L540-I585 HydrophobicContact CD1-CG1 4.19Å; L540-I585 HydrophobicContact CD2-CG1 4.23Å; L545-I585 HydrophobicContact CB-CG1 4.18Å; L545-I585 HydrophobicContact CD2-CG1 4.43Å; L545-I585 CarbonylContact O-C 3.51Å; L545-I585 VanDerWaalsContact O-CA 3.28Å; L545-I585 WeakPolarHBondContact O-CA 3.32Å; V547-I585 HydrophobicContact CG2-CG2 3.92Å; W565-I585 HydrophobicContact CE3-CD1 4.42Å; W565-I585 HydrophobicContact CH2-CD1 3.8Å; W565-I585 HydrophobicContact CZ2-CD1 4.46Å; W565-I585 HydrophobicContact CZ3-CD1 3.78Å; L566-I585 HydrophobicContact CD1-CB 4.31Å; L566-I585 HydrophobicContact CD1-CD1 3.65Å; L566-I585 HydrophobicContact CD1-CG2 3.84Å; H569-I585 HydrophobicContact CB-CD1 3.93Å; H569-I585 HydrophobicContact CB-CG1 3.87Å; H569-I585 PolarHBondContact O-N 3.18Å; L570-I585 CarbonylContact C-O 3.57Å; L570-I585 WeakPolarHBondContact CA-O 3.29Å; T571-I585 PolarHBondContact N-O 3.36Å; I585-L587 HydrophobicContact CG2-CD2 4.13Å
586	Y	93.3	Very high	84.5	Confident	34 Å²	34	50 Å²	50	13%	0.133	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.5	175.1	177.6	-107.5	0	0	0	110.4	I446 L545 I546 V547 T571 P574 L577 A588	I446-Y586 HydrophobicContact CG2-CD1 4.37Å; I446-Y586 HydrophobicContact CG2-CE1 3.73Å; L545-Y586 PolarHBondContact O-N 3.44Å; I546-Y586 HydrophobicContact CG2-CD1 4.25Å; V547-Y586 PolarHBondContact N-O 3.17Å; T571-Y586 HydrophobicContact CG2-CD2 4.4Å; T571-Y586 WeakPolarHBondContact O-CD2 3.39Å; P574-Y586 HydrophobicContact CG-CE2 3.99Å; L577-Y586 HydrophobicContact CD1-CD1 4.03Å; L577-Y586 HydrophobicContact CD1-CG 3.96Å; Y586-A588 HydrophobicContact CD1-CB 4.01Å; Y586-A588 HydrophobicContact CE1-CB 3.76Å; Y586-A588 PolarHBondContact O-N 3.36Å
587	L	92.1	Very high	84.5	Confident	54 Å²	54	49.3 Å²	49.3	28%	0.283	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	98.9	179.9	-55.9	-176.9	0	0	0	109.4	L527 V547 L570 I585	L527-L587 HydrophobicContact CD2-CD2 3.97Å; V547-L587 HydrophobicContact CB-CD2 3.73Å; V547-L587 HydrophobicContact CG1-CD2 4.25Å; V547-L587 HydrophobicContact CG2-CD2 3.94Å; L570-L587 HydrophobicContact CD1-CD1 3.97Å; L570-L587 HydrophobicContact CD1-CG 3.8Å; I585-L587 HydrophobicContact CG2-CD2 4.13Å
588	A	86.5	Confident	84.4	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.008	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130.8	-171.1	0	0	0	0	0	113	L442 I546 V547 R549 Y586 T590	L442-A588 HydrophobicContact CD1-CB 3.77Å; I546-A588 HydrophobicContact CG2-CB 4.02Å; V547-A588 PolarHBondContact O-N 3.33Å; R549-A588 PolarHBondContact N-O 2.92Å; Y586-A588 HydrophobicContact CD1-CB 4.01Å; Y586-A588 HydrophobicContact CE1-CB 3.76Å; Y586-A588 PolarHBondContact O-N 3.36Å; A588-T590 VanDerWaalsContact C-N 3.32Å; A588-T590 HydrophobicContact CB-CG2 4.21Å; A588-T590 PolarHBondContact O-N 3.1Å; A588-T590 VanDerWaalsContact O-N 3.12Å
589	E	82.5	Confident	84.6	Confident	132 Å²	132	52.9 Å²	52.9	62%	0.617	28%	0.28	S	S	*	.			trans	-88.3	67.2	177.2	-54.6	-142.2	129.5	0	0	111.5	R549	R549-E589 IonicContact CZ-OE1 2.77Å; R549-E589 IonicContact NH1-OE1 3.23Å; R549-E589 PolarHBondContact NH1-OE1 2.85Å
590	T	78.4	Confident	85	Confident	4 Å²	4	46.8 Å²	46.8	3%	0.025	25%	0.248	C	C	.	.			trans	-80	149.9	175.3	57.6	0	0	0	0	111.8	P438 L442 C548 A588	P438-T590 HydrophobicContact CB-CG2 4.49Å; P438-T590 WeakPolarHBondContact O-CG2 3.43Å; L442-T590 HydrophobicContact CB-CG2 3.81Å; C548-T590 HydrophobicContact CB-CG2 4.4Å; A588-T590 VanDerWaalsContact C-N 3.32Å; A588-T590 HydrophobicContact CB-CG2 4.21Å; A588-T590 PolarHBondContact O-N 3.1Å; A588-T590 VanDerWaalsContact O-N 3.12Å
591	P	69.8	Low	85.1	Confident	59 Å²	59	46.4 Å²	46.4	38%	0.383	24%	0.244	S	C	.	.			trans	-61.6	143.4	178.5	-21.7	32.3	0	0	0	113.9	T441 F593	T441-P591 VanDerWaalsContact CG2-CD 3.45Å; T441-P591 HydrophobicContact CG2-CG 3.84Å; P591-F593 HydrophobicContact CB-CD2 4.34Å; P591-F593 HydrophobicContact CB-CE2 3.81Å; P591-F593 HydrophobicContact CG-CE2 4.49Å; P591-F593 WeakPolarHBondContact O-CD2 3.28Å; P591-F593 PolarHBondContact O-N 3.27Å
592	W	71.7	Confident	85.1	Confident	114 Å²	114	48.8 Å²	48.8	43%	0.432	25%	0.25	S	C	.	.			trans	-86.8	78.5	-167.7	-58.4	-5.2	0	0	0	113.4	A264 P551 N594	A264-W592 HydrophobicContact CB-CZ3 4.31Å; P551-W592 HydrophobicContact CB-CD2 4.34Å; P551-W592 HydrophobicContact CB-CE3 3.61Å; P551-W592 HydrophobicContact CB-CZ3 3.74Å; P551-W592 HydrophobicContact CG-CB 4.5Å; P551-W592 HydrophobicContact CG-CD2 4.27Å; P551-W592 HydrophobicContact CG-CE3 3.87Å; P551-W592 HydrophobicContact CG-CZ3 4.49Å; W592-N594 PolarHBondContact O-N 3.31Å
593	F	71	Confident	85	Confident	78 Å²	78	50.8 Å²	50.8	34%	0.342	25%	0.254	S	S	.	.			trans	-74.2	90.9	171.9	-67.8	-79.1	0	0	0	111.5	K437 P438 P591 I595	K437-F593 HydrophobicContact CB-CD1 4.46Å; K437-F593 HydrophobicContact CB-CD2 3.6Å; K437-F593 HydrophobicContact CB-CE1 4.26Å; K437-F593 HydrophobicContact CB-CE2 3.34Å; K437-F593 HydrophobicContact CB-CG 4.16Å; K437-F593 HydrophobicContact CB-CZ 3.72Å; K437-F593 HydrophobicContact CD-CD1 4.16Å; K437-F593 HydrophobicContact CD-CE1 3.59Å; K437-F593 HydrophobicContact CD-CE2 4.17Å; K437-F593 HydrophobicContact CD-CZ 3.59Å; K437-F593 HydrophobicContact CG-CE2 4.36Å; K437-F593 HydrophobicContact CG-CZ 4.27Å; P438-F593 HydrophobicContact CG-CB 4.45Å; P438-F593 HydrophobicContact CG-CD2 4.05Å; P591-F593 HydrophobicContact CB-CD2 4.34Å; P591-F593 HydrophobicContact CB-CE2 3.81Å; P591-F593 HydrophobicContact CG-CE2 4.49Å; P591-F593 WeakPolarHBondContact O-CD2 3.28Å; P591-F593 PolarHBondContact O-N 3.27Å; F593-I595 HydrophobicContact CB-CD1 4.47Å; F593-I595 PolarHBondContact O-N 3.17Å
594	N	75.5	Confident	84.6	Confident	84 Å²	84	55 Å²	55	45%	0.449	27%	0.272	S	S	.	.			trans	-74.3	65.9	177.7	-172.4	96.6	0	0	0	111.8	K263 W592	K263-N594 HydrophobicContact CD-CB 3.77Å; K263-N594 PolarHBondContact NZ-ND2 3.28Å; K263-N594 VanDerWaalsContact NZ-ND2 3.15Å; W592-N594 PolarHBondContact O-N 3.31Å
595	I	80.9	Confident	84.4	Confident	28 Å²	28	60.9 Å²	60.9	14%	0.144	30%	0.3	C	S	.	.			trans	-123.3	134.3	178.9	-56.7	170.6	0	0	0	106.8	H432 F593 I600 L613	H432-I595 HydrophobicContact CB-CG2 4.05Å; H432-I595 PolarHBondContact CE1-O 3.37Å; F593-I595 HydrophobicContact CB-CD1 4.47Å; F593-I595 PolarHBondContact O-N 3.17Å; I595-I600 HydrophobicContact CG2-CD1 3.97Å; I595-L613 HydrophobicContact CD1-CD2 4.24Å; I595-L613 HydrophobicContact CG1-CD2 4.02Å; I595-L613 HydrophobicContact CG2-CB 3.98Å; I595-L613 HydrophobicContact CG2-CD2 4.14Å; I595-L613 HydrophobicContact CG2-CG 4.49Å
596	S	83.6	Confident	84.1	Confident	42 Å²	42	66.2 Å²	66.2	29%	0.294	33%	0.328	S	S	.	.			trans	-134	153	176.3	76.5	0	0	0	0	111.2	T598 I599 I600	S596-T598 PolarHBondContact O-N 3.21Å; S596-T598 PolarHBondContact OG-N 3.36Å; S596-I599 PolarHBondContact O-N 3.29Å; S596-I599 VanDerWaalsContact O-N 3.17Å; S596-I599 WeakPolarHBondContact OG-CG1 3.15Å; S596-I599 PolarHBondContact OG-N 2.91Å; S596-I600 PolarHBondContact O-N 2.97Å
597	A	85.8	Confident	83.6	Confident	18 Å²	18	68 Å²	68	15%	0.149	36%	0.357	C	S	.	.	H	α-helix	trans	-51.6	-35.1	169.8	0	0	0	0	0	113.5	D429 H432 I600 R601	D429-A597 WeakPolarHBondContact O-CB 3.4Å; H432-A597 PolarHBondContact CD2-N 3.19Å; H432-A597 PolarHBondContact NE2-N 2.91Å; A597-I600 PolarHBondContact O-N 2.92Å; A597-R601 PolarHBondContact O-N 2.86Å
598	T	84	Confident	83.2	Confident	74 Å²	74	69.9 Å²	69.9	45%	0.454	36%	0.364	S	S	.	.	H	α-helix	trans	-65.1	-48.6	177.2	-44.9	0	0	0	0	111.5	S596 I600 R601 E602	S596-T598 PolarHBondContact O-N 3.21Å; S596-T598 PolarHBondContact OG-N 3.36Å; T598-I600 PolarHBondContact O-N 3.43Å; T598-R601 PolarHBondContact O-N 3.33Å; T598-R601 VanDerWaalsContact O-N 3.15Å; T598-E602 HydrophobicContact CG2-CG 4.46Å; T598-E602 WeakPolarHBondContact O-CB 3.33Å; T598-E602 VanDerWaalsContact O-CG 3.31Å; T598-E602 WeakPolarHBondContact O-CG 3.47Å; T598-E602 PolarHBondContact O-N 3.18Å
599	I	86.5	Confident	82.9	Confident	55 Å²	55	72.8 Å²	72.8	28%	0.282	39%	0.385	S	S	.	.	H	α-helix	trans	-59.6	-38.4	177.8	-67.2	164.9	0	0	0	110.8	S596 E602 R603 L613	S596-I599 PolarHBondContact O-N 3.29Å; S596-I599 VanDerWaalsContact O-N 3.17Å; S596-I599 WeakPolarHBondContact OG-CG1 3.15Å; S596-I599 PolarHBondContact OG-N 2.91Å; I599-E602 PolarHBondContact O-N 3.12Å; I599-R603 WeakPolarHBondContact O-CB 3.22Å; I599-R603 WeakPolarHBondContact O-CG 3.46Å; I599-R603 PolarHBondContact O-N 3.5Å; I599-L613 HydrophobicContact CG2-CD1 4.01Å
600	I	88.9	Confident	83	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-67.5	-43.5	178.3	-67.5	162.4	0	0	0	111	P430 H432 I595 S596 A597 T598 R603 L604 C610 L613 L614	P430-I600 HydrophobicContact CG-CB 4.4Å; P430-I600 HydrophobicContact CG-CD1 4.35Å; P430-I600 HydrophobicContact CG-CG2 3.85Å; H432-I600 HydrophobicContact CB-CD1 3.34Å; I595-I600 HydrophobicContact CG2-CD1 3.97Å; S596-I600 PolarHBondContact O-N 2.97Å; A597-I600 PolarHBondContact O-N 2.92Å; T598-I600 PolarHBondContact O-N 3.43Å; I600-R603 PolarHBondContact O-N 3.15Å; I600-L604 HydrophobicContact CG2-CD1 3.92Å; I600-L604 HydrophobicContact CG2-CG 4.45Å; I600-L604 WeakPolarHBondContact O-CB 3.5Å; I600-L604 VanDerWaalsContact O-CG 3.23Å; I600-L604 WeakPolarHBondContact O-CG 3.48Å; I600-L604 PolarHBondContact O-N 3.43Å; I600-C610 HydrophobicContact CG2-CB 4.48Å; I600-L613 HydrophobicContact CD1-CB 4.07Å; I600-L613 HydrophobicContact CG1-CB 3.87Å; I600-L613 HydrophobicContact CG1-CD1 3.61Å; I600-L613 HydrophobicContact CG1-CG 4.4Å; I600-L614 HydrophobicContact CD1-CD2 3.98Å; I600-L614 HydrophobicContact CG2-CD2 4.28Å
601	R	88.8	Confident	82.7	Confident	63 Å²	63	71.3 Å²	71.3	24%	0.238	38%	0.381	C	S	.	.	H	α-helix	trans	-62.6	-43.9	173.3	-84	-174.6	-75.9	-109.6	-5.8	112.7	D429 E466 A597 T598 L604 Q605	D429-R601 VanDerWaalsContact CG-NH1 3.34Å; D429-R601 PolarHBondContact O-NH1 2.89Å; D429-R601 VanDerWaalsContact O-NH1 3.1Å; D429-R601 PolarHBondContact O-NH2 3.37Å; D429-R601 IonicContact OD1-NH1 3.6Å; D429-R601 IonicContact OD2-CZ 2.95Å; D429-R601 IonicContact OD2-NH1 3.48Å; D429-R601 PolarHBondContact OD2-NH1 3.19Å; E466-R601 VanDerWaalsContact OE1-CD 3.24Å; E466-R601 WeakPolarHBondContact OE1-CD 3.49Å; E466-R601 IonicContact OE1-CZ 3.65Å; E466-R601 IonicContact OE1-NE 2.74Å; E466-R601 PolarHBondContact OE1-NE 2.81Å; E466-R601 IonicContact OE1-NH1 3.39Å; E466-R601 WeakPolarHBondContact OE2-CD 3.41Å; A597-R601 PolarHBondContact O-N 2.86Å; T598-R601 PolarHBondContact O-N 3.33Å; T598-R601 VanDerWaalsContact O-N 3.15Å; R601-L604 PolarHBondContact O-N 2.87Å; R601-Q605 VanDerWaalsContact O-CB 3.27Å; R601-Q605 WeakPolarHBondContact O-CB 3.28Å; R601-Q605 PolarHBondContact O-N 3.23Å
602	E	90	Very high	83	Confident	101 Å²	101	72.6 Å²	72.6	47%	0.472	39%	0.385	S	S	.	.	H	α-helix	trans	-59.5	-48.3	177.3	-72.7	166	168.7	0	0	111	T598 I599 Q605 N606	T598-E602 HydrophobicContact CG2-CG 4.46Å; T598-E602 WeakPolarHBondContact O-CB 3.33Å; T598-E602 VanDerWaalsContact O-CG 3.31Å; T598-E602 WeakPolarHBondContact O-CG 3.47Å; T598-E602 PolarHBondContact O-N 3.18Å; I599-E602 PolarHBondContact O-N 3.12Å; E602-Q605 PolarHBondContact O-N 2.98Å; E602-N606 VanDerWaalsContact O-CG 3.28Å; E602-N606 PolarHBondContact O-N 3.17Å
603	R	91.7	Very high	83.6	Confident	58 Å²	58	67.7 Å²	67.7	22%	0.219	37%	0.367	C	S	.	.	H	α-helix	trans	-60.5	-48.1	174.9	-78	-149.1	-165.6	160.9	6.8	112.6	I599 I600 Q605 N606 G607 E608 S609 C610 D612	I599-R603 WeakPolarHBondContact O-CB 3.22Å; I599-R603 WeakPolarHBondContact O-CG 3.46Å; I599-R603 PolarHBondContact O-N 3.5Å; I600-R603 PolarHBondContact O-N 3.15Å; R603-Q605 VanDerWaalsContact C-N 3.29Å; R603-Q605 PolarHBondContact O-N 2.93Å; R603-N606 CarbonylContact O-C 3.57Å; R603-N606 PolarHBondContact O-N 2.71Å; R603-N606 VanDerWaalsContact O-N 3.11Å; R603-G607 PolarHBondContact O-N 3.46Å; R603-E608 HydrophobicContact CB-CB 3.87Å; R603-E608 HydrophobicContact CG-CB 4.02Å; R603-E608 WeakPolarHBondContact CG-OE2 3.44Å; R603-E608 PolarHBondContact O-N 2.84Å; R603-S609 WeakPolarHBondContact CD-O 3.21Å; R603-S609 PolarHBondContact NH1-O 2.9Å; R603-C610 WeakPolarHBondContact CB-SG 3.43Å; R603-D612 IonicContact CZ-OD1 2.69Å; R603-D612 IonicContact CZ-OD2 2.81Å; R603-D612 VanDerWaalsContact NH1-CG 3.35Å; R603-D612 IonicContact NH1-OD1 3.29Å; R603-D612 PolarHBondContact NH1-OD1 3.44Å; R603-D612 IonicContact NH1-OD2 2.64Å; R603-D612 PolarHBondContact NH1-OD2 3.25Å; R603-D612 IonicContact NH2-OD1 2.72Å; R603-D612 IonicContact NH2-OD2 3.39Å; R603-D612 PolarHBondContact NH2-OD2 3.06Å
604	L	86.4	Confident	84.2	Confident	110 Å²	110	66.4 Å²	66.4	58%	0.576	36%	0.363	S	S	*	.	H	α-helix	trans	-61.3	-36.8	177.6	-71.7	171.9	0	0	0	112.2	I600 R601 N606 G607	I600-L604 HydrophobicContact CG2-CD1 3.92Å; I600-L604 HydrophobicContact CG2-CG 4.45Å; I600-L604 WeakPolarHBondContact O-CB 3.5Å; I600-L604 VanDerWaalsContact O-CG 3.23Å; I600-L604 WeakPolarHBondContact O-CG 3.48Å; I600-L604 PolarHBondContact O-N 3.43Å; R601-L604 PolarHBondContact O-N 2.87Å; L604-N606 VanDerWaalsContact C-N 3.34Å; L604-G607 PolarHBondContact O-N 3.49Å
605	Q	89.3	Confident	84.1	Confident	169 Å²	169	63.2 Å²	63.2	79%	0.79	35%	0.347	S	S	*	.	H	α-helix	trans	-68.2	-32.6	175.2	-175.7	173.9	1.5	0	0	112.5	R601 E602 R603	R601-Q605 VanDerWaalsContact O-CB 3.27Å; R601-Q605 WeakPolarHBondContact O-CB 3.28Å; R601-Q605 PolarHBondContact O-N 3.23Å; E602-Q605 PolarHBondContact O-N 2.98Å; R603-Q605 VanDerWaalsContact C-N 3.29Å; R603-Q605 PolarHBondContact O-N 2.93Å
606	N	89.5	Confident	83.3	Confident	112 Å²	112	65 Å²	65	60%	0.599	36%	0.355	S	S	*	.	H	α-helix	trans	-81.1	-12.4	174.8	-68.5	-9.4	0	0	0	113.7	E602 R603 L604 E608	E602-N606 VanDerWaalsContact O-CG 3.28Å; E602-N606 PolarHBondContact O-N 3.17Å; R603-N606 CarbonylContact O-C 3.57Å; R603-N606 PolarHBondContact O-N 2.71Å; R603-N606 VanDerWaalsContact O-N 3.11Å; L604-N606 VanDerWaalsContact C-N 3.34Å; N606-E608 HydrophobicContact CB-CG 3.92Å; N606-E608 VanDerWaalsContact CB-OE1 3.28Å; N606-E608 WeakPolarHBondContact CB-OE1 3.46Å; N606-E608 PolarHBondContact ND2-OE1 3.27Å
607	G	83.2	Confident	81.9	Confident	71 Å²	71	66.1 Å²	66.1	73%	0.732	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	19.8	-171.3	0	0	0	0	0	114.2	R603 L604	R603-G607 PolarHBondContact O-N 3.46Å; L604-G607 PolarHBondContact O-N 3.49Å
608	E	83.5	Confident	80.6	Confident	93 Å²	93	67 Å²	67	44%	0.435	37%	0.372	S	S	.	.			trans	-83.3	147.3	175.2	-62.9	170.5	-135.6	0	0	111.3	R603 N606	R603-E608 HydrophobicContact CB-CB 3.87Å; R603-E608 HydrophobicContact CG-CB 4.02Å; R603-E608 WeakPolarHBondContact CG-OE2 3.44Å; R603-E608 PolarHBondContact O-N 2.84Å; N606-E608 HydrophobicContact CB-CG 3.92Å; N606-E608 VanDerWaalsContact CB-OE1 3.28Å; N606-E608 WeakPolarHBondContact CB-OE1 3.46Å; N606-E608 PolarHBondContact ND2-OE1 3.27Å
609	S	80.6	Confident	80	Confident	63 Å²	63	66.9 Å²	66.9	44%	0.441	37%	0.367	S	S	.	.			trans	-62.6	149.7	174.7	161	0	0	0	0	111.7	R603 D611	R603-S609 WeakPolarHBondContact CD-O 3.21Å; R603-S609 PolarHBondContact NH1-O 2.9Å; S609-D611 PolarHBondContact OG-N 3.24Å; S609-D611 VanDerWaalsContact OG-N 3.16Å; S609-D611 PolarHBondContact OG-OD2 2.89Å
610	C	83.7	Confident	79.9	Confident	5 Å²	5	65.2 Å²	65.2	3%	0.034	36%	0.358	C	S	.	.			trans	-122.9	17.6	172.8	-71.4	0	0	0	0	112.6	I600 R603 D612 L613 L614	I600-C610 HydrophobicContact CG2-CB 4.48Å; R603-C610 WeakPolarHBondContact CB-SG 3.43Å; C610-D612 PolarHBondContact O-N 2.91Å; C610-L613 HydrophobicContact CB-CB 4.49Å; C610-L613 WeakPolarHBondContact O-CA 3.06Å; C610-L613 WeakPolarHBondContact O-CB 3.01Å; C610-L613 PolarHBondContact O-N 2.95Å; C610-L614 HydrophobicContact CB-CD1 3.79Å; C610-L614 HydrophobicContact CB-CG 4.14Å; C610-L614 PolarHBondContact O-N 2.82Å
611	D	71.4	Confident	79.9	Confident	100 Å²	100	66.9 Å²	66.9	54%	0.535	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-15.8	-171.2	-47	-41	0	0	0	113.1	S609	S609-D611 PolarHBondContact OG-N 3.24Å; S609-D611 VanDerWaalsContact OG-N 3.16Å; S609-D611 PolarHBondContact OG-OD2 2.89Å
612	D	77	Confident	80.3	Confident	86 Å²	86	63.9 Å²	63.9	46%	0.46	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-16.5	169	61.1	-43.6	0	0	0	113.2	Y433 R603 C610	Y433-D612 WeakPolarHBondContact CD2-O 3.39Å; R603-D612 IonicContact CZ-OD1 2.69Å; R603-D612 IonicContact CZ-OD2 2.81Å; R603-D612 VanDerWaalsContact NH1-CG 3.35Å; R603-D612 IonicContact NH1-OD1 3.29Å; R603-D612 PolarHBondContact NH1-OD1 3.44Å; R603-D612 IonicContact NH1-OD2 2.64Å; R603-D612 PolarHBondContact NH1-OD2 3.25Å; R603-D612 IonicContact NH2-OD1 2.72Å; R603-D612 IonicContact NH2-OD2 3.39Å; R603-D612 PolarHBondContact NH2-OD2 3.06Å; C610-D612 PolarHBondContact O-N 2.91Å
613	L	85.2	Confident	80.6	Confident	11 Å²	11	59.3 Å²	59.3	6%	0.058	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-33.5	-174.2	-52.7	-174.4	0	0	0	112.9	H432 Y433 I595 I599 I600 C610	H432-L613 WeakPolarHBondContact CB-O 3.34Å; Y433-L613 WeakPolarHBondContact CD2-O 3.41Å; Y433-L613 PolarHBondContact N-O 2.9Å; I595-L613 HydrophobicContact CD1-CD2 4.24Å; I595-L613 HydrophobicContact CG1-CD2 4.02Å; I595-L613 HydrophobicContact CG2-CB 3.98Å; I595-L613 HydrophobicContact CG2-CD2 4.14Å; I595-L613 HydrophobicContact CG2-CG 4.49Å; I599-L613 HydrophobicContact CG2-CD1 4.01Å; I600-L613 HydrophobicContact CD1-CB 4.07Å; I600-L613 HydrophobicContact CG1-CB 3.87Å; I600-L613 HydrophobicContact CG1-CD1 3.61Å; I600-L613 HydrophobicContact CG1-CG 4.4Å; C610-L613 HydrophobicContact CB-CB 4.49Å; C610-L613 WeakPolarHBondContact O-CA 3.06Å; C610-L613 WeakPolarHBondContact O-CB 3.01Å; C610-L613 PolarHBondContact O-N 2.95Å
614	L	82.9	Confident	80.9	Confident	50 Å²	50	56.6 Å²	56.6	26%	0.262	32%	0.322	S	S	.	.	S	Bend	trans	-99	145.4	-174.6	-65.9	172.3	0	0	0	112	P430 V431 H432 Y433 I600 C610 E616	P430-L614 HydrophobicContact CG-CD2 4.41Å; V431-L614 VanDerWaalsContact O-CD2 3.31Å; V431-L614 WeakPolarHBondContact O-CD2 3.45Å; H432-L614 HydrophobicContact CB-CD2 4.29Å; Y433-L614 WeakPolarHBondContact CE2-O 3.33Å; Y433-L614 VanDerWaalsContact CZ-O 3.25Å; Y433-L614 PolarHBondContact OH-O 3.49Å; I600-L614 HydrophobicContact CD1-CD2 3.98Å; I600-L614 HydrophobicContact CG2-CD2 4.28Å; C610-L614 HydrophobicContact CB-CD1 3.79Å; C610-L614 HydrophobicContact CB-CG 4.14Å; C610-L614 PolarHBondContact O-N 2.82Å; L614-E616 PolarHBondContact O-N 2.8Å
615	P	74	Confident	81.4	Confident	17 Å²	17	51.3 Å²	51.3	11%	0.11	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-58.4	135.3	168.7	25.2	-31.6	0	0	0	110.5	Y433 L436 A479	Y433-P615 HydrophobicContact CE1-CB 4.17Å; L436-P615 HydrophobicContact CD1-CB 4.07Å; L436-P615 HydrophobicContact CD1-CG 4.11Å; A479-P615 HydrophobicContact CB-CB 4.27Å; A479-P615 HydrophobicContact CB-CG 3.44Å; A479-P615 VanDerWaalsContact CB-CG 3.44Å
616	E	62.6	Low	81.8	Confident	65 Å²	65	44.4 Å²	44.4	30%	0.304	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-63.6	144.3	178.7	-64.9	-171	176.6	0	0	111.2	Y433 L614 K805	Y433-E616 PolarHBondContact OH-N 2.91Å; L614-E616 PolarHBondContact O-N 2.8Å; E616-K805 WeakPolarHBondContact OE1-CE 3.45Å; E616-K805 IonicContact OE1-NZ 3.01Å; E616-K805 PolarHBondContact OE1-NZ 3.29Å
617	P	55.9	Low	82.2	Confident	67 Å²	67	39.2 Å²	39.2	44%	0.435	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-57.2	148.6	174.6	-26.8	37.1	0	0	0	112.7
618	G	58.5	Low	82.8	Confident	37 Å²	37	35.9 Å²	35.9	38%	0.381	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-52.1	142.8	-174.1	0	0	0	0	0	114.6
619	M	69.8	Low	83.4	Confident	70 Å²	70	32.2 Å²	32.2	35%	0.345	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-77.3	131.3	-175.4	-174.3	175.6	-76.1	0	0	111.9	D801	M619-D801 HydrophobicContact CG-CB 4Å; M619-D801 HydrophobicContact SD-CB 3.55Å; M619-D801 VanDerWaalsContact SD-CB 3.55Å
620	M	84.6	Confident	84.1	Confident	20 Å²	20	29.2 Å²	29.2	10%	0.099	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	130.1	173.6	-176.1	-147.6	-56.7	0	0	109.1	L622 Q758 I763 I802	M620-L622 HydrophobicContact CG-CD2 4.47Å; M620-L622 HydrophobicContact SD-CD2 3.7Å; M620-L622 HydrophobicContact SD-CG 4.42Å; M620-Q758 HydrophobicContact CE-CB 4.43Å; M620-I763 HydrophobicContact CG-CD1 4.06Å; M620-I763 HydrophobicContact SD-CD1 3.87Å; M620-I802 HydrophobicContact CB-CB 4.46Å; M620-I802 PolarHBondContact N-O 2.68Å; M620-I802 PolarHBondContact O-N 2.87Å; M620-I802 HydrophobicContact SD-CD1 4.35Å
621	R	90	Very high	84.5	Confident	36 Å²	36	33.9 Å²	33.9	14%	0.136	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.3	172.9	-178.6	167.3	-69.7	141.5	14.2	111.3	W623 Q761 I763 I800 D801 Y822	R621-W623 VanDerWaalsContact CD-CE2 3.49Å; R621-W623 VanDerWaalsContact CD-NE1 3.31Å; R621-W623 HydrophobicContact CG-CG 4.39Å; R621-Q761 WeakPolarHBondContact CB-O 3.14Å; R621-Q761 PolarHBondContact N-O 2.83Å; R621-I763 PolarHBondContact O-N 2.8Å; R621-I800 WeakPolarHBondContact CA-O 3.46Å; R621-D801 IonicContact CZ-OD1 2.85Å; R621-D801 IonicContact NE-OD1 3.49Å; R621-D801 PolarHBondContact NE-OD1 3.11Å; R621-D801 VanDerWaalsContact NH2-CG 3.29Å; R621-D801 IonicContact NH2-OD1 2.93Å; R621-D801 PolarHBondContact NH2-OD1 3.46Å; R621-D801 IonicContact NH2-OD2 3.4Å; R621-D801 PolarHBondContact NH2-OD2 2.7Å; R621-Y822 VanDerWaalsContact NH1-CZ 3.34Å; R621-Y822 VanDerWaalsContact NH2-CZ 3.33Å; R621-Y822 PolarHBondContact NH2-OH 3.44Å
622	L	95.7	Very high	85.4	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	119.6	165.4	-53.7	-173.6	0	0	0	109	M620 L624 L754 I763 I765 L779 A799 I800 I802	M620-L622 HydrophobicContact CG-CD2 4.47Å; M620-L622 HydrophobicContact SD-CD2 3.7Å; M620-L622 HydrophobicContact SD-CG 4.42Å; L622-L624 HydrophobicContact CB-CD2 4.02Å; L622-L754 HydrophobicContact CD1-CD1 3.92Å; L622-L754 HydrophobicContact CD1-CD2 4.08Å; L622-L754 HydrophobicContact CD2-CD2 4.19Å; L622-I763 WeakPolarHBondContact CA-O 3.42Å; L622-I763 HydrophobicContact CD2-CB 3.91Å; L622-I763 HydrophobicContact CD2-CD1 4.04Å; L622-I763 HydrophobicContact CD2-CG1 4.42Å; L622-I763 HydrophobicContact CD2-CG2 4.4Å; L622-I765 HydrophobicContact CB-CD1 4.24Å; L622-I765 HydrophobicContact CD1-CD1 3.86Å; L622-I765 HydrophobicContact CD2-CD1 4.11Å; L622-I765 HydrophobicContact CG-CD1 4.3Å; L622-L779 HydrophobicContact CD1-CD1 3.82Å; L622-A799 CarbonylContact O-C 3.43Å; L622-A799 WeakPolarHBondContact O-CA 3.41Å; L622-I800 PolarHBondContact N-O 3.11Å; L622-I800 PolarHBondContact O-N 2.83Å; L622-I802 HydrophobicContact CD1-CD1 3.55Å; L622-I802 HydrophobicContact CG-CD1 3.81Å
623	W	96.6	Very high	86	Confident	6 Å²	6	26 Å²	26	2%	0.023	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128.7	168.1	-62.6	80	0	0	0	108.3	R621 L661 V664 F666 N762 I763 L764 I765 W797 S798	R621-W623 VanDerWaalsContact CD-CE2 3.49Å; R621-W623 VanDerWaalsContact CD-NE1 3.31Å; R621-W623 HydrophobicContact CG-CG 4.39Å; W623-L661 HydrophobicContact CE3-CD2 3.99Å; W623-L661 HydrophobicContact CZ3-CD2 3.72Å; W623-V664 HydrophobicContact CD2-CG1 4.37Å; W623-V664 HydrophobicContact CH2-CG1 4.06Å; W623-V664 HydrophobicContact CH2-CG2 3.77Å; W623-V664 HydrophobicContact CZ2-CG1 3.53Å; W623-V664 HydrophobicContact CZ2-CG2 4.1Å; W623-V664 HydrophobicContact CZ3-CG2 4.24Å; W623-F666 HydrophobicContact CB-CE1 3.71Å; W623-F666 AromaticContact CD1-CD1 3.94Å; W623-F666 AromaticContact CD1-CE1 3.61Å; W623-F666 AromaticContact CD2-CE1 3.92Å; W623-F666 HydrophobicContact CD2-CE1 3.92Å; W623-F666 HydrophobicContact CD2-CZ 4.42Å; W623-F666 HydrophobicContact CG-CD1 4.25Å; W623-F666 AromaticContact CG-CE1 3.49Å; W623-F666 HydrophobicContact CG-CE1 3.49Å; W623-F666 VanDerWaalsContact CG-CE1 3.49Å; W623-F666 HydrophobicContact CG-CZ 4.38Å; W623-N762 PolarHBondContact NE1-OD1 3.13Å; W623-I763 PolarHBondContact N-O 3.43Å; W623-L764 HydrophobicContact CB-CD1 4.08Å; W623-I765 PolarHBondContact O-N 3.06Å; W623-W797 HydrophobicContact CE3-CD2 4.25Å; W623-W797 AromaticContact CE3-CE3 3.63Å; W623-W797 HydrophobicContact CE3-CE3 3.63Å; W623-W797 AromaticContact CE3-CZ3 3.89Å; W623-W797 HydrophobicContact CE3-CZ3 3.89Å; W623-W797 HydrophobicContact CH2-CZ3 4.31Å; W623-W797 HydrophobicContact CZ3-CD2 4.06Å; W623-W797 AromaticContact CZ3-CE3 3.53Å; W623-W797 HydrophobicContact CZ3-CE3 3.53Å; W623-W797 AromaticContact CZ3-CH2 3.86Å; W623-W797 HydrophobicContact CZ3-CH2 3.86Å; W623-W797 HydrophobicContact CZ3-CZ2 4.35Å; W623-W797 AromaticContact CZ3-CZ3 3.42Å; W623-W797 HydrophobicContact CZ3-CZ3 3.42Å; W623-W797 VanDerWaalsContact CZ3-CZ3 3.42Å; W623-S798 CarbonylContact C-O 3.58Å; W623-S798 WeakPolarHBondContact CA-O 3.46Å
624	L	97.8	Very high	85.9	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.3	-172.1	-48.2	-178.2	0	0	0	110.3	L622 I765 L772 L775 I776 S798 I800	L622-L624 HydrophobicContact CB-CD2 4.02Å; L624-I765 HydrophobicContact CD2-CB 3.84Å; L624-I765 HydrophobicContact CD2-CD1 3.89Å; L624-I765 HydrophobicContact CD2-CG1 4.14Å; L624-I765 HydrophobicContact CD2-CG2 4.45Å; L624-L772 HydrophobicContact CB-CD1 4.49Å; L624-L772 HydrophobicContact CB-CD2 4.15Å; L624-L772 HydrophobicContact CD1-CD2 4.48Å; L624-L772 HydrophobicContact CD2-CD2 4.2Å; L624-L775 HydrophobicContact CD2-CD2 4.01Å; L624-I776 HydrophobicContact CD1-CD1 4.08Å; L624-I776 HydrophobicContact CD1-CG1 3.63Å; L624-S798 PolarHBondContact N-O 3.16Å; L624-S798 PolarHBondContact O-N 3.28Å; L624-I800 HydrophobicContact CD1-CD1 3.85Å; L624-I800 HydrophobicContact CD1-CG1 4.17Å
625	I	97.8	Very high	85.9	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125.6	175.9	-66.2	-178.4	0	0	0	109.4	L657 L661 T680 V684 L764 I765 V766 S767 L772 W797	I625-L657 HydrophobicContact CD1-CD1 4.35Å; I625-L657 HydrophobicContact CD1-CD2 4.39Å; I625-L657 HydrophobicContact CG2-CD1 3.81Å; I625-L661 HydrophobicContact CD1-CD1 3.68Å; I625-T680 HydrophobicContact CG2-CG2 4.04Å; I625-V684 HydrophobicContact CD1-CG1 3.91Å; I625-V684 HydrophobicContact CD1-CG2 4.21Å; I625-L764 HydrophobicContact CD1-CD1 3.76Å; I625-L764 HydrophobicContact CG1-CD1 4.03Å; I625-I765 PolarHBondContact N-O 3.18Å; I625-V766 HydrophobicContact CB-CG2 4.48Å; I625-V766 HydrophobicContact CG2-CG1 4.44Å; I625-V766 WeakPolarHBondContact O-CA 3.3Å; I625-S767 PolarHBondContact O-N 2.8Å; I625-L772 WeakPolarHBondContact O-CD1 3.09Å; I625-W797 HydrophobicContact CG1-CB 4.25Å
626	R	97.7	Very high	86	Confident	23 Å²	23	27.9 Å²	27.9	9%	0.087	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	144.3	165.6	-177.4	178.2	170.6	-173.7	-3.6	109.4	S767 Q769 L772 V792 Q794	R626-S767 CarbonylContact C-O 3.59Å; R626-S767 WeakPolarHBondContact CA-O 3.35Å; R626-Q769 VanDerWaalsContact NH1-OE1 3.11Å; R626-L772 HydrophobicContact CB-CD1 4.18Å; R626-V792 HydrophobicContact CB-CG1 3.92Å; R626-V792 WeakPolarHBondContact CD-O 3.27Å; R626-V792 PolarHBondContact NH1-O 3.14Å; R626-Q794 HydrophobicContact CG-CG 4.31Å
627	H	97.7	Very high	87.1	Confident	4 Å²	4	26.5 Å²	26.5	2%	0.019	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-50.1	149.5	171.3	70	83.6	0	0	0	112.2	N633 R676 A677 T680 S767 H768 Q794	H627-N633 PolarHBondContact CE1-OD1 2.79Å; H627-R676 HydrophobicContact CB-CB 4.22Å; H627-R676 HydrophobicContact CB-CG 4.06Å; H627-R676 PolarHBondContact NE2-NE 2.62Å; H627-A677 HydrophobicContact CB-CB 4.45Å; H627-T680 VanDerWaalsContact CA-OG1 3.28Å; H627-T680 WeakPolarHBondContact CA-OG1 3.45Å; H627-S767 PolarHBondContact N-O 2.7Å; H627-H768 AromaticContact CD2-CE1 3.98Å; H627-H768 AromaticContact CD2-CG 3.91Å; H627-H768 AromaticContact CD2-ND1 3.1Å; H627-H768 PolarHBondContact CD2-ND1 3.14Å; H627-H768 AromaticContact NE2-ND1 3.61Å; H627-Q794 WeakPolarHBondContact O-CG 3.27Å
628	G	95.4	Very high	88.5	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.01	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-59.1	161.2	173.9	0	0	0	0	0	112.9	T630 L646 T680	G628-T630 PolarHBondContact O-N 2.79Å; G628-L646 WeakPolarHBondContact O-CD2 3.36Å; G628-T680 PolarHBondContact N-OG1 2.95Å
629	E	96.4	Very high	89.9	Confident	15 Å²	15	24.5 Å²	24.5	7%	0.07	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-48.3	134	177.1	-175.7	-168.1	88.2	0	0	112.8	V634 L646 T647 R649 G650	E629-V634 HydrophobicContact CG-CG2 3.8Å; E629-L646 CarbonylContact O-C 3.58Å; E629-L646 WeakPolarHBondContact O-CA 3.33Å; E629-T647 HydrophobicContact CG-CG2 4.15Å; E629-T647 PolarHBondContact O-N 2.99Å; E629-T647 PolarHBondContact O-OG1 3.5Å; E629-T647 WeakPolarHBondContact OE1-CB 3.42Å; E629-T647 WeakPolarHBondContact OE1-CG2 3.33Å; E629-T647 PolarHBondContact OE1-OG1 2.95Å; E629-R649 VanDerWaalsContact OE2-CD 3.28Å; E629-R649 WeakPolarHBondContact OE2-CD 3.42Å; E629-R649 IonicContact OE2-CZ 3Å; E629-R649 IonicContact OE2-NE 2.86Å; E629-R649 IonicContact OE2-NH1 2.77Å; E629-R649 PolarHBondContact OE2-NH1 3.39Å; E629-G650 WeakPolarHBondContact O-CA 3.45Å
630	T	95.9	Very high	91	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-115.5	160.8	169.4	70.4	0	0	0	0	110.2	G628 A632 N633 V634 T644 P645 L646 R676	G628-T630 PolarHBondContact O-N 2.79Å; T630-A632 PolarHBondContact O-N 3.01Å; T630-N633 PolarHBondContact N-OD1 3.09Å; T630-N633 WeakPolarHBondContact O-CA 3.46Å; T630-N633 WeakPolarHBondContact O-CB 3.5Å; T630-N633 PolarHBondContact O-N 3.44Å; T630-N633 PolarHBondContact OG1-OD1 3.27Å; T630-V634 PolarHBondContact O-N 2.85Å; T630-T644 VanDerWaalsContact CG2-O 3.31Å; T630-T644 WeakPolarHBondContact CG2-O 3.49Å; T630-P645 WeakPolarHBondContact CA-O 3.06Å; T630-P645 VanDerWaalsContact CB-O 3.27Å; T630-P645 WeakPolarHBondContact CB-O 3.48Å; T630-P645 WeakPolarHBondContact CG2-O 3.28Å; T630-L646 HydrophobicContact CG2-CD2 4.25Å; T630-R676 HydrophobicContact CG2-CB 4.08Å
631	Q	92.3	Very high	91.5	Very high	104 Å²	104	23.6 Å²	23.6	49%	0.486	12%	0.116	S	C	.	.	H	α-helix	trans	-57	-34.7	178	-170.5	62.7	48.5	0	0	112.1	N633 V634 D635	Q631-N633 VanDerWaalsContact C-N 3.26Å; Q631-N633 PolarHBondContact O-N 3.01Å; Q631-V634 WeakPolarHBondContact O-CB 3.35Å; Q631-V634 PolarHBondContact O-N 3.38Å; Q631-V634 VanDerWaalsContact O-N 3.13Å; Q631-D635 WeakPolarHBondContact CG-OD2 3.49Å; Q631-D635 PolarHBondContact NE2-OD1 3.08Å; Q631-D635 WeakPolarHBondContact O-CB 3.49Å; Q631-D635 VanDerWaalsContact O-CG 3.25Å; Q631-D635 PolarHBondContact O-N 3Å
632	A	89.8	Confident	91.6	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-64.9	-26.6	175.2	0	0	0	0	0	113.8	T630 G636 L637 T644 M708	T630-A632 PolarHBondContact O-N 3.01Å; A632-G636 PolarHBondContact O-N 3.12Å; A632-L637 HydrophobicContact CB-CB 4.22Å; A632-L637 HydrophobicContact CB-CD1 4.43Å; A632-L637 PolarHBondContact O-N 3.48Å; A632-T644 HydrophobicContact CB-CG2 3.66Å; A632-M708 HydrophobicContact CB-CE 4.04Å; A632-M708 HydrophobicContact CB-SD 4.02Å
633	N	88.6	Confident	91.5	Very high	20 Å²	20	28.6 Å²	28.6	11%	0.107	15%	0.154	C	C	.	.	H	α-helix	trans	-74.3	-39.5	171.5	-54.7	142	0	0	0	111.4	H627 T630 Q631 G636 Q794 S843 A844	H627-N633 PolarHBondContact CE1-OD1 2.79Å; T630-N633 PolarHBondContact N-OD1 3.09Å; T630-N633 WeakPolarHBondContact O-CA 3.46Å; T630-N633 WeakPolarHBondContact O-CB 3.5Å; T630-N633 PolarHBondContact O-N 3.44Å; T630-N633 PolarHBondContact OG1-OD1 3.27Å; Q631-N633 VanDerWaalsContact C-N 3.26Å; Q631-N633 PolarHBondContact O-N 3.01Å; N633-G636 PolarHBondContact O-N 3.08Å; N633-Q794 PolarHBondContact OD1-NE2 2.87Å; N633-S843 CarbonylContact O-C 3.5Å; N633-A844 WeakPolarHBondContact O-CB 3.4Å; N633-A844 PolarHBondContact O-N 2.73Å
634	V	83.6	Confident	91.3	Very high	33 Å²	33	28.8 Å²	28.8	20%	0.2	16%	0.156	C	C	.	.	H	α-helix	trans	-62.8	-44.9	175.6	175.1	0	0	0	0	110.7	E629 T630 Q631 G636 T647 S843	E629-V634 HydrophobicContact CG-CG2 3.8Å; T630-V634 PolarHBondContact O-N 2.85Å; Q631-V634 WeakPolarHBondContact O-CB 3.35Å; Q631-V634 PolarHBondContact O-N 3.38Å; Q631-V634 VanDerWaalsContact O-N 3.13Å; V634-G636 VanDerWaalsContact C-N 3.32Å; V634-G636 PolarHBondContact O-N 3.43Å; V634-T647 HydrophobicContact CG2-CG2 4.41Å; V634-S843 PolarHBondContact O-N 3.4Å
635	D	82.7	Confident	91.3	Very high	78 Å²	78	32.9 Å²	32.9	42%	0.417	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-6.8	-177	-64.2	-10.1	0	0	0	113.9	Q631 L637	Q631-D635 WeakPolarHBondContact CG-OD2 3.49Å; Q631-D635 PolarHBondContact NE2-OD1 3.08Å; Q631-D635 WeakPolarHBondContact O-CB 3.49Å; Q631-D635 VanDerWaalsContact O-CG 3.25Å; Q631-D635 PolarHBondContact O-N 3Å; D635-L637 HydrophobicContact CB-CD1 4.02Å; D635-L637 HydrophobicContact CB-CD2 4.3Å; D635-L637 HydrophobicContact CB-CG 3.77Å
636	G	76.5	Confident	91.2	Very high	6 Å²	6	33.8 Å²	33.8	6%	0.062	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	33.8	-179.8	0	0	0	0	0	115.5	A632 N633 V634 H710	A632-G636 PolarHBondContact O-N 3.12Å; N633-G636 PolarHBondContact O-N 3.08Å; V634-G636 VanDerWaalsContact C-N 3.32Å; V634-G636 PolarHBondContact O-N 3.43Å; G636-H710 PolarHBondContact O-CD2 3.38Å
637	L	86.8	Confident	91.2	Very high	36 Å²	36	33.7 Å²	33.7	19%	0.188	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-87.7	146.7	179.9	-50.3	177.4	0	0	0	110.8	A632 D635 S639 M708 R709 H710	A632-L637 HydrophobicContact CB-CB 4.22Å; A632-L637 HydrophobicContact CB-CD1 4.43Å; A632-L637 PolarHBondContact O-N 3.48Å; D635-L637 HydrophobicContact CB-CD1 4.02Å; D635-L637 HydrophobicContact CB-CD2 4.3Å; D635-L637 HydrophobicContact CB-CG 3.77Å; L637-S639 PolarHBondContact O-N 2.97Å; L637-M708 HydrophobicContact CD1-CE 3.73Å; L637-R709 WeakPolarHBondContact CA-O 3.31Å; L637-H710 HydrophobicContact CD2-CB 3.7Å
638	Y	84.6	Confident	91.1	Very high	45 Å²	45	37.5 Å²	37.5	18%	0.176	22%	0.221	C	C	.	.			trans	-63.8	116.2	166.6	-73.7	-91.8	0	0	0	108.8	F703 W706 M708 R709 H711 L714	Y638-F703 AromaticContact CD1-CD1 3.67Å; Y638-F703 HydrophobicContact CD1-CD1 3.67Å; Y638-F703 HydrophobicContact CD1-CD2 4.34Å; Y638-F703 AromaticContact CD1-CE1 3.68Å; Y638-F703 HydrophobicContact CD1-CE1 3.68Å; Y638-F703 HydrophobicContact CD1-CE2 4.35Å; Y638-F703 HydrophobicContact CD1-CG 4.02Å; Y638-F703 HydrophobicContact CD1-CZ 4.04Å; Y638-F703 HydrophobicContact CE1-CD1 4.34Å; Y638-F703 HydrophobicContact CE1-CE1 4.13Å; Y638-W706 WeakPolarHBondContact CB-O 3.39Å; Y638-W706 HydrophobicContact CE1-CE3 4.42Å; Y638-M708 PolarHBondContact O-N 2.8Å; Y638-R709 PolarHBondContact N-O 2.75Å; Y638-H711 HydrophobicContact CE2-CB 4.21Å; Y638-L714 HydrophobicContact CD2-CD1 3.77Å; Y638-L714 HydrophobicContact CE2-CD1 3.61Å
639	S	87.9	Confident	91.1	Very high	16 Å²	16	42.5 Å²	42.5	11%	0.112	24%	0.24	C	C	.	.			trans	-134.5	95.3	-177.9	-171	0	0	0	0	110.5	L637 T644	L637-S639 PolarHBondContact O-N 2.97Å; S639-T644 VanDerWaalsContact OG-CG2 3.26Å; S639-T644 WeakPolarHBondContact OG-CG2 3.37Å; S639-T644 PolarHBondContact OG-OG1 2.99Å
640	G	91.9	Very high	91	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-94.4	-96.4	174.7	0	0	0	0	0	109.2	L674 R676 M701 E707	G640-L674 VanDerWaalsContact O-CD1 3.28Å; G640-L674 WeakPolarHBondContact O-CD1 3.32Å; G640-R676 PolarHBondContact O-NH1 2.75Å; G640-R676 PolarHBondContact O-NH2 3.4Å; G640-M701 WeakPolarHBondContact CA-O 3.31Å; G640-E707 WeakPolarHBondContact CA-OE1 3.35Å; G640-E707 PolarHBondContact N-OE1 3.37Å; G640-E707 PolarHBondContact N-OE2 2.94Å
641	H	95.2	Very high	91.1	Very high	72 Å²	72	44.4 Å²	44.4	33%	0.333	25%	0.25	S	S	.	.	S	Bend	trans	-86.9	-8.1	-178.8	-69.3	-175.2	0	0	0	114.4	E700 F702 E707	H641-E700 PolarHBondContact CD2-O 3.23Å; H641-E700 PolarHBondContact NE2-O 2.95Å; H641-F702 HydrophobicContact CB-CD2 3.79Å; H641-F702 HydrophobicContact CB-CE2 4.38Å; H641-F702 AromaticContact CG-CD2 3.86Å; H641-F702 AromaticContact ND1-CD2 3.85Å; H641-F702 AromaticContact ND1-CG 3.91Å; H641-E707 PolarHBondContact N-OE1 2.98Å; H641-E707 PolarHBondContact N-OE2 3.42Å
642	A	92.2	Very high	91.2	Very high	13 Å²	13	44.5 Å²	44.5	11%	0.107	25%	0.25	C	S	.	.	S	Bend	trans	-58.1	142.3	178.4	0	0	0	0	0	112.8	T644 R676 E707 M708	A642-T644 PolarHBondContact O-N 3.31Å; A642-T644 PolarHBondContact O-OG1 2.85Å; A642-R676 PolarHBondContact O-NH1 3.5Å; A642-E707 HydrophobicContact CB-CB 4.31Å; A642-E707 WeakPolarHBondContact CB-OE2 3.49Å; A642-E707 PolarHBondContact N-OE2 3.13Å; A642-M708 HydrophobicContact CB-CG 3.66Å; A642-M708 HydrophobicContact CB-SD 3.86Å
643	P	93.3	Very high	91.5	Very high	127 Å²	127	45.8 Å²	45.8	83%	0.825	26%	0.256	S	S	*	.			trans	-73.5	89.2	-178.3	30.1	-35.2	0	0	0	111.3	P645	P643-P645 WeakPolarHBondContact O-CD 3.47Å
644	T	94.2	Very high	91.9	Very high	10 Å²	10	44.9 Å²	44.9	6%	0.061	25%	0.251	C	S	.	.			trans	-108.6	101	-178.3	43.2	0	0	0	0	111.2	T630 A632 S639 A642 R676 M708	T630-T644 VanDerWaalsContact CG2-O 3.31Å; T630-T644 WeakPolarHBondContact CG2-O 3.49Å; A632-T644 HydrophobicContact CB-CG2 3.66Å; S639-T644 VanDerWaalsContact OG-CG2 3.26Å; S639-T644 WeakPolarHBondContact OG-CG2 3.37Å; S639-T644 PolarHBondContact OG-OG1 2.99Å; A642-T644 PolarHBondContact O-N 3.31Å; A642-T644 PolarHBondContact O-OG1 2.85Å; T644-R676 WeakPolarHBondContact O-CB 3.41Å; T644-R676 PolarHBondContact OG1-NH1 3.07Å; T644-M708 HydrophobicContact CG2-CE 3.87Å; T644-M708 HydrophobicContact CG2-SD 3.38Å; T644-M708 WeakPolarHBondContact CG2-SD 3.28Å
645	P	95.9	Very high	92.4	Very high	86 Å²	86	48 Å²	48	56%	0.558	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-71.4	159.8	179.6	30.1	-35.4	0	0	0	112.1	T630 P643	T630-P645 WeakPolarHBondContact CA-O 3.06Å; T630-P645 VanDerWaalsContact CB-O 3.27Å; T630-P645 WeakPolarHBondContact CB-O 3.48Å; T630-P645 WeakPolarHBondContact CG2-O 3.28Å; P643-P645 WeakPolarHBondContact O-CD 3.47Å
646	L	97.3	Very high	92.8	Very high	19 Å²	19	47.9 Å²	47.9	10%	0.099	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-63.7	143.4	176.2	-57.4	-177.5	0	0	0	111.8	G628 E629 T630 I651 R676 H679 L683	G628-L646 WeakPolarHBondContact O-CD2 3.36Å; E629-L646 CarbonylContact O-C 3.58Å; E629-L646 WeakPolarHBondContact O-CA 3.33Å; T630-L646 HydrophobicContact CG2-CD2 4.25Å; L646-I651 HydrophobicContact CB-CG1 4Å; L646-I651 HydrophobicContact CD1-CG1 4.18Å; L646-R676 HydrophobicContact CD2-CB 3.95Å; L646-H679 HydrophobicContact CD1-CB 3.87Å; L646-H679 HydrophobicContact CG-CB 4.33Å; L646-L683 HydrophobicContact CD1-CD1 4.18Å
647	T	97.2	Very high	93.6	Very high	22 Å²	22	47.7 Å²	47.7	14%	0.135	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-73.4	171.4	164.6	71	0	0	0	0	110.1	E629 V634 R649 G650 I651	E629-T647 HydrophobicContact CG-CG2 4.15Å; E629-T647 PolarHBondContact O-N 2.99Å; E629-T647 PolarHBondContact O-OG1 3.5Å; E629-T647 WeakPolarHBondContact OE1-CB 3.42Å; E629-T647 WeakPolarHBondContact OE1-CG2 3.33Å; E629-T647 PolarHBondContact OE1-OG1 2.95Å; V634-T647 HydrophobicContact CG2-CG2 4.41Å; T647-R649 PolarHBondContact O-N 3.21Å; T647-R649 PolarHBondContact OG1-N 3.08Å; T647-G650 WeakPolarHBondContact O-CA 3.31Å; T647-G650 PolarHBondContact O-N 3.11Å; T647-G650 VanDerWaalsContact O-N 3.09Å; T647-G650 PolarHBondContact OG1-N 3.18Å; T647-I651 PolarHBondContact O-N 3.36Å
648	A	95.7	Very high	93.9	Very high	84 Å²	84	48 Å²	48	69%	0.694	26%	0.261	S	S	*	.	H	α-helix	trans	-57.5	-38.8	171	0	0	0	0	0	111.9	I651 E652	A648-I651 PolarHBondContact O-N 3.39Å; A648-E652 PolarHBondContact O-N 2.95Å
649	R	94.7	Very high	94.1	Very high	105 Å²	105	50.8 Å²	50.8	40%	0.396	28%	0.283	S	S	.	.	H	α-helix	trans	-68.7	-34.1	174.2	-178.1	176	-178.8	-151.7	20.8	112	E629 T647 E652 Q653 A841	E629-R649 VanDerWaalsContact OE2-CD 3.28Å; E629-R649 WeakPolarHBondContact OE2-CD 3.42Å; E629-R649 IonicContact OE2-CZ 3Å; E629-R649 IonicContact OE2-NE 2.86Å; E629-R649 IonicContact OE2-NH1 2.77Å; E629-R649 PolarHBondContact OE2-NH1 3.39Å; T647-R649 PolarHBondContact O-N 3.21Å; T647-R649 PolarHBondContact OG1-N 3.08Å; R649-E652 PolarHBondContact O-N 2.93Å; R649-Q653 WeakPolarHBondContact O-CB 3.43Å; R649-Q653 WeakPolarHBondContact O-CG 3.27Å; R649-Q653 PolarHBondContact O-N 3.18Å; R649-A841 PolarHBondContact NH1-O 2.85Å
650	G	95.2	Very high	94	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.3	-35.4	171.4	0	0	0	0	0	113.9	E629 T647 A654	E629-G650 WeakPolarHBondContact O-CA 3.45Å; T647-G650 WeakPolarHBondContact O-CA 3.31Å; T647-G650 PolarHBondContact O-N 3.11Å; T647-G650 VanDerWaalsContact O-N 3.09Å; T647-G650 PolarHBondContact OG1-N 3.18Å; G650-A654 PolarHBondContact O-N 3.18Å
651	I	97.1	Very high	93.9	Very high	56 Å²	56	51.4 Å²	51.4	29%	0.287	29%	0.285	S	S	.	.	H	α-helix	trans	-68.5	-46.9	172.1	-67.8	168.5	0	0	0	110.2	L646 T647 A648 Q653 A654 Q655 L683	L646-I651 HydrophobicContact CB-CG1 4Å; L646-I651 HydrophobicContact CD1-CG1 4.18Å; T647-I651 PolarHBondContact O-N 3.36Å; A648-I651 PolarHBondContact O-N 3.39Å; I651-Q653 PolarHBondContact O-N 3.42Å; I651-A654 PolarHBondContact O-N 2.84Å; I651-A654 VanDerWaalsContact O-N 3.16Å; I651-Q655 WeakPolarHBondContact O-CG 3.47Å; I651-Q655 PolarHBondContact O-N 3.22Å; I651-L683 HydrophobicContact CB-CD1 4.24Å; I651-L683 HydrophobicContact CG1-CD1 4.2Å; I651-L683 HydrophobicContact CG2-CD1 3.94Å
652	E	94.9	Very high	93.4	Very high	105 Å²	105	52.3 Å²	52.3	49%	0.491	29%	0.292	S	S	.	.	H	α-helix	trans	-59.2	-44.9	177.1	-166.3	-159.9	146.3	0	0	112	A648 R649 A654 Q655 N656	A648-E652 PolarHBondContact O-N 2.95Å; R649-E652 PolarHBondContact O-N 2.93Å; E652-A654 VanDerWaalsContact C-N 3.28Å; E652-A654 PolarHBondContact O-N 3.47Å; E652-Q655 PolarHBondContact O-N 3.21Å; E652-Q655 VanDerWaalsContact O-N 3.16Å; E652-N656 WeakPolarHBondContact O-CB 3.46Å; E652-N656 PolarHBondContact O-N 3.47Å; E652-N656 PolarHBondContact O-ND2 2.92Å
653	Q	96.1	Very high	92.6	Very high	29 Å²	29	56.2 Å²	56.2	14%	0.136	31%	0.311	C	S	.	.	H	α-helix	trans	-54.8	-41.7	174.1	-79.2	165	-1.6	0	0	112.4	R649 I651 L657 Q794	R649-Q653 WeakPolarHBondContact O-CB 3.43Å; R649-Q653 WeakPolarHBondContact O-CG 3.27Å; R649-Q653 PolarHBondContact O-N 3.18Å; I651-Q653 PolarHBondContact O-N 3.42Å; Q653-L657 WeakPolarHBondContact O-CB 3.29Å; Q653-L657 WeakPolarHBondContact O-CG 3.47Å; Q653-L657 PolarHBondContact O-N 3.07Å; Q653-Q794 VanDerWaalsContact OE1-CB 3.22Å
654	A	96	Very high	92	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-73.1	-35.1	178.4	0	0	0	0	0	112.7	G650 I651 E652 L657 H658 T680 L683 V684	G650-A654 PolarHBondContact O-N 3.18Å; I651-A654 PolarHBondContact O-N 2.84Å; I651-A654 VanDerWaalsContact O-N 3.16Å; E652-A654 VanDerWaalsContact C-N 3.28Å; E652-A654 PolarHBondContact O-N 3.47Å; A654-L657 PolarHBondContact O-N 3Å; A654-H658 PolarHBondContact O-N 2.88Å; A654-T680 HydrophobicContact CB-CG2 3.91Å; A654-L683 HydrophobicContact CB-CB 3.59Å; A654-L683 HydrophobicContact CB-CD1 3.81Å; A654-L683 HydrophobicContact CB-CG 4.36Å; A654-V684 HydrophobicContact CB-CG2 4.38Å; A654-V684 WeakPolarHBondContact O-CG2 3.43Å
655	Q	94.9	Very high	91.5	Very high	98 Å²	98	54.9 Å²	54.9	46%	0.458	31%	0.305	S	S	.	.	H	α-helix	trans	-70.5	-36.5	174.5	-70.3	173.2	-27.1	0	0	112.5	I651 E652 L657 H658 T659 L683	I651-Q655 WeakPolarHBondContact O-CG 3.47Å; I651-Q655 PolarHBondContact O-N 3.22Å; E652-Q655 PolarHBondContact O-N 3.21Å; E652-Q655 VanDerWaalsContact O-N 3.16Å; Q655-L657 VanDerWaalsContact C-N 3.34Å; Q655-H658 WeakPolarHBondContact O-CB 3.47Å; Q655-H658 PolarHBondContact O-N 2.85Å; Q655-T659 PolarHBondContact O-N 3.26Å; Q655-T659 PolarHBondContact O-OG1 3.03Å; Q655-L683 HydrophobicContact CG-CD2 4.22Å
656	N	91.4	Very high	91.2	Very high	77 Å²	77	51.1 Å²	51.1	41%	0.412	28%	0.28	S	S	.	.	H	α-helix	trans	-65.9	-39.2	171.6	-72	-25.2	0	0	0	110.7	E652 H658 T659 L660	E652-N656 WeakPolarHBondContact O-CB 3.46Å; E652-N656 PolarHBondContact O-N 3.47Å; E652-N656 PolarHBondContact O-ND2 2.92Å; N656-H658 PolarHBondContact O-N 3.42Å; N656-T659 WeakPolarHBondContact O-CB 3.44Å; N656-T659 PolarHBondContact O-N 2.94Å; N656-T659 VanDerWaalsContact O-N 3.17Å; N656-L660 WeakPolarHBondContact O-CG 3.34Å; N656-L660 PolarHBondContact O-N 2.84Å
657	L	93.3	Very high	90.7	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-64.7	-32.6	173.5	-81.1	166.8	0	0	0	113.9	I625 Q653 A654 Q655 L660 L661 V684 W797	I625-L657 HydrophobicContact CD1-CD1 4.35Å; I625-L657 HydrophobicContact CD1-CD2 4.39Å; I625-L657 HydrophobicContact CG2-CD1 3.81Å; Q653-L657 WeakPolarHBondContact O-CB 3.29Å; Q653-L657 WeakPolarHBondContact O-CG 3.47Å; Q653-L657 PolarHBondContact O-N 3.07Å; A654-L657 PolarHBondContact O-N 3Å; Q655-L657 VanDerWaalsContact C-N 3.34Å; L657-L660 HydrophobicContact CD2-CD1 4.46Å; L657-L660 PolarHBondContact O-N 3.2Å; L657-L661 HydrophobicContact CD2-CD1 4.28Å; L657-L661 WeakPolarHBondContact O-CB 3.38Å; L657-L661 WeakPolarHBondContact O-CG 3.39Å; L657-L661 PolarHBondContact O-N 2.85Å; L657-V684 HydrophobicContact CB-CG2 3.75Å; L657-W797 HydrophobicContact CD2-CB 4.01Å; L657-W797 HydrophobicContact CD2-CG 4.47Å
658	H	92.9	Very high	90.5	Very high	44 Å²	44	52 Å²	52	20%	0.204	28%	0.284	C	S	.	.	H	α-helix	trans	-57.9	-53.6	167.3	172.7	51.2	0	0	0	110.5	A654 Q655 N656 L660 L661 D662 V684 S686	A654-H658 PolarHBondContact O-N 2.88Å; Q655-H658 WeakPolarHBondContact O-CB 3.47Å; Q655-H658 PolarHBondContact O-N 2.85Å; N656-H658 PolarHBondContact O-N 3.42Å; H658-L660 VanDerWaalsContact C-N 3.26Å; H658-L660 PolarHBondContact O-N 3.25Å; H658-L661 CarbonylContact O-C 3.58Å; H658-L661 PolarHBondContact O-N 2.98Å; H658-D662 IonicContact CE1-OD1 3.79Å; H658-D662 PolarHBondContact CE1-OD1 2.95Å; H658-D662 WeakPolarHBondContact O-CB 3.46Å; H658-D662 PolarHBondContact O-N 3.16Å; H658-V684 PolarHBondContact ND1-O 3.4Å; H658-S686 VanDerWaalsContact CE1-CB 3.48Å; H658-S686 WeakPolarHBondContact CE1-CB 3.16Å
659	T	88.5	Confident	90.6	Very high	102 Å²	102	48 Å²	48	63%	0.626	25%	0.251	S	S	*	.	H	α-helix	trans	-57.3	-34.6	179.2	-52.7	0	0	0	0	113.4	Q655 N656	Q655-T659 PolarHBondContact O-N 3.26Å; Q655-T659 PolarHBondContact O-OG1 3.03Å; N656-T659 WeakPolarHBondContact O-CB 3.44Å; N656-T659 PolarHBondContact O-N 2.94Å; N656-T659 VanDerWaalsContact O-N 3.17Å
660	L	86.2	Confident	90.7	Very high	29 Å²	29	43 Å²	43	15%	0.152	23%	0.232	C	C	.	.	H	α-helix	trans	-76.7	-19.4	178	-66.6	176.1	0	0	0	114.4	N656 L657 H658 R815 I817 G818	N656-L660 WeakPolarHBondContact O-CG 3.34Å; N656-L660 PolarHBondContact O-N 2.84Å; L657-L660 HydrophobicContact CD2-CD1 4.46Å; L657-L660 PolarHBondContact O-N 3.2Å; H658-L660 VanDerWaalsContact C-N 3.26Å; H658-L660 PolarHBondContact O-N 3.25Å; L660-R815 WeakPolarHBondContact CD1-O 3.26Å; L660-R815 VanDerWaalsContact CD2-O 3.3Å; L660-R815 WeakPolarHBondContact CD2-O 3.22Å; L660-I817 HydrophobicContact CD2-CG1 4.04Å; L660-G818 PolarHBondContact O-N 3.26Å
661	L	89	Confident	90.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-131.3	5	-167.9	-59.8	173.2	0	0	0	114.6	W623 I625 L657 H658 D663 V664 F666 R688 W797	W623-L661 HydrophobicContact CE3-CD2 3.99Å; W623-L661 HydrophobicContact CZ3-CD2 3.72Å; I625-L661 HydrophobicContact CD1-CD1 3.68Å; L657-L661 HydrophobicContact CD2-CD1 4.28Å; L657-L661 WeakPolarHBondContact O-CB 3.38Å; L657-L661 WeakPolarHBondContact O-CG 3.39Å; L657-L661 PolarHBondContact O-N 2.85Å; H658-L661 CarbonylContact O-C 3.58Å; H658-L661 PolarHBondContact O-N 2.98Å; L661-D663 VanDerWaalsContact C-N 3.27Å; L661-D663 PolarHBondContact O-N 2.84Å; L661-V664 HydrophobicContact CB-CG2 4.49Å; L661-V664 HydrophobicContact CD2-CG2 4.01Å; L661-V664 WeakPolarHBondContact O-CB 3.45Å; L661-V664 PolarHBondContact O-N 2.93Å; L661-F666 HydrophobicContact CB-CE2 4.26Å; L661-F666 HydrophobicContact CB-CZ 4.2Å; L661-F666 HydrophobicContact CD1-CZ 4.41Å; L661-R688 PolarHBondContact O-NH1 2.57Å; L661-W797 HydrophobicContact CD1-CB 4.08Å; L661-W797 HydrophobicContact CD1-CG 4.23Å; L661-W797 HydrophobicContact CD2-CD2 4.13Å; L661-W797 HydrophobicContact CD2-CG 3.99Å; L661-W797 HydrophobicContact CG-CG 4.48Å
662	D	85	Confident	90.9	Very high	92 Å²	92	40.4 Å²	40.4	49%	0.492	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-44.7	176.3	-175.1	52.4	0	0	0	111.3	H658 V664 R688	H658-D662 IonicContact CE1-OD1 3.79Å; H658-D662 PolarHBondContact CE1-OD1 2.95Å; H658-D662 WeakPolarHBondContact O-CB 3.46Å; H658-D662 PolarHBondContact O-N 3.16Å; D662-V664 PolarHBondContact O-N 3.16Å; D662-V664 VanDerWaalsContact O-N 3.1Å; D662-R688 PolarHBondContact O-NH1 3.41Å
663	D	75.9	Confident	91	Very high	94 Å²	94	39.8 Å²	39.8	50%	0.503	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-3.9	176	-119.3	-27.3	0	0	0	114.9	L661 K819	L661-D663 VanDerWaalsContact C-N 3.27Å; L661-D663 PolarHBondContact O-N 2.84Å; D663-K819 HydrophobicContact CB-CD 4.45Å; D663-K819 VanDerWaalsContact CG-CE 3.41Å; D663-K819 WeakPolarHBondContact OD1-CE 3.37Å; D663-K819 IonicContact OD1-NZ 3.02Å; D663-K819 PolarHBondContact OD1-NZ 3.2Å; D663-K819 WeakPolarHBondContact OD2-CD 3.42Å; D663-K819 VanDerWaalsContact OD2-CE 3.27Å; D663-K819 WeakPolarHBondContact OD2-CE 3.37Å; D663-K819 IonicContact OD2-NZ 4Å; D663-K819 PolarHBondContact OD2-NZ 3.33Å
664	V	81.7	Confident	91.1	Very high	13 Å²	13	39.6 Å²	39.6	8%	0.079	22%	0.215	C	C	.	.	S	Bend	trans	-97.3	115.4	177.7	-179.7	0	0	0	0	109.3	W623 L661 D662 F666 R688	W623-V664 HydrophobicContact CD2-CG1 4.37Å; W623-V664 HydrophobicContact CH2-CG1 4.06Å; W623-V664 HydrophobicContact CH2-CG2 3.77Å; W623-V664 HydrophobicContact CZ2-CG1 3.53Å; W623-V664 HydrophobicContact CZ2-CG2 4.1Å; W623-V664 HydrophobicContact CZ3-CG2 4.24Å; L661-V664 HydrophobicContact CB-CG2 4.49Å; L661-V664 HydrophobicContact CD2-CG2 4.01Å; L661-V664 WeakPolarHBondContact O-CB 3.45Å; L661-V664 PolarHBondContact O-N 2.93Å; D662-V664 PolarHBondContact O-N 3.16Å; D662-V664 VanDerWaalsContact O-N 3.1Å; V664-F666 HydrophobicContact CB-CD2 4.27Å; V664-F666 HydrophobicContact CB-CE2 3.61Å; V664-F666 HydrophobicContact CB-CZ 3.8Å; V664-F666 HydrophobicContact CG1-CD1 4.18Å; V664-F666 HydrophobicContact CG1-CD2 4.04Å; V664-F666 HydrophobicContact CG1-CE1 3.8Å; V664-F666 HydrophobicContact CG1-CE2 3.62Å; V664-F666 HydrophobicContact CG1-CG 4.31Å; V664-F666 HydrophobicContact CG1-CZ 3.5Å; V664-F666 WeakPolarHBondContact O-CD2 3.47Å; V664-F666 WeakPolarHBondContact O-CE2 3.46Å; V664-F666 PolarHBondContact O-N 3.17Å; V664-R688 PolarHBondContact O-NH1 3.34Å
665	S	82.5	Confident	91.1	Very high	96 Å²	96	43.6 Å²	43.6	67%	0.671	23%	0.234	S	C	*	.			trans	-75.5	104.7	171.2	-56.5	0	0	0	0	109.7	N762	S665-N762 VanDerWaalsContact O-CB 3.24Å; S665-N762 WeakPolarHBondContact O-CB 3.48Å
666	F	89.3	Confident	91.2	Very high	8 Å²	8	39.1 Å²	39.1	4%	0.035	21%	0.213	C	C	.	.			trans	-94.2	142.1	169.8	-54.7	-92.1	0	0	0	109.4	W623 L661 V664 R688 L690 N762 L764	W623-F666 HydrophobicContact CB-CE1 3.71Å; W623-F666 AromaticContact CD1-CD1 3.94Å; W623-F666 AromaticContact CD1-CE1 3.61Å; W623-F666 AromaticContact CD2-CE1 3.92Å; W623-F666 HydrophobicContact CD2-CE1 3.92Å; W623-F666 HydrophobicContact CD2-CZ 4.42Å; W623-F666 HydrophobicContact CG-CD1 4.25Å; W623-F666 AromaticContact CG-CE1 3.49Å; W623-F666 HydrophobicContact CG-CE1 3.49Å; W623-F666 VanDerWaalsContact CG-CE1 3.49Å; W623-F666 HydrophobicContact CG-CZ 4.38Å; L661-F666 HydrophobicContact CB-CE2 4.26Å; L661-F666 HydrophobicContact CB-CZ 4.2Å; L661-F666 HydrophobicContact CD1-CZ 4.41Å; V664-F666 HydrophobicContact CB-CD2 4.27Å; V664-F666 HydrophobicContact CB-CE2 3.61Å; V664-F666 HydrophobicContact CB-CZ 3.8Å; V664-F666 HydrophobicContact CG1-CD1 4.18Å; V664-F666 HydrophobicContact CG1-CD2 4.04Å; V664-F666 HydrophobicContact CG1-CE1 3.8Å; V664-F666 HydrophobicContact CG1-CE2 3.62Å; V664-F666 HydrophobicContact CG1-CG 4.31Å; V664-F666 HydrophobicContact CG1-CZ 3.5Å; V664-F666 WeakPolarHBondContact O-CD2 3.47Å; V664-F666 WeakPolarHBondContact O-CE2 3.46Å; V664-F666 PolarHBondContact O-N 3.17Å; F666-R688 VanDerWaalsContact CD2-NH2 3.26Å; F666-R688 VanDerWaalsContact CE2-NH2 3.27Å; F666-L690 HydrophobicContact CB-CD1 3.79Å; F666-L690 WeakPolarHBondContact O-CD1 3.45Å; F666-L690 WeakPolarHBondContact O-CD2 3.45Å; F666-N762 CarbonylContact C-O 3.54Å; F666-N762 WeakPolarHBondContact CA-O 3.47Å; F666-L764 HydrophobicContact CD1-CB 3.65Å; F666-L764 HydrophobicContact CE1-CB 3.92Å; F666-L764 HydrophobicContact CE1-CD1 3.98Å; F666-L764 HydrophobicContact CE1-CG 4.38Å; F666-L764 HydrophobicContact CG-CB 4.26Å; F666-L764 HydrophobicContact CZ-CD1 4.38Å
667	D	86.8	Confident	91.5	Very high	60 Å²	60	35.5 Å²	35.5	32%	0.321	19%	0.193	S	C	.	.	S	Bend	trans	-94.4	-28.5	178.9	-44	-61.7	0	0	0	112.1	P691 Y760 Q761 N762	D667-P691 WeakPolarHBondContact O-CD 3.48Å; D667-P691 WeakPolarHBondContact O-CG 3.27Å; D667-Y760 HydrophobicContact CB-CD1 3.55Å; D667-Y760 HydrophobicContact CB-CE1 4.39Å; D667-Y760 HydrophobicContact CB-CG 4.27Å; D667-Q761 WeakPolarHBondContact OD2-CA 3.43Å; D667-Q761 PolarHBondContact OD2-N 3.45Å; D667-N762 PolarHBondContact N-O 3.45Å; D667-N762 PolarHBondContact OD2-N 3.21Å
668	L	93.7	Very high	91.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	149.4	-172.6	178.5	66.2	0	0	0	111.1	L670 P691 Y757 Y760 I763 L764	L668-L670 HydrophobicContact CD2-CD2 3.86Å; L668-L670 HydrophobicContact CD2-CG 4.35Å; L668-L670 HydrophobicContact CG-CD2 4.11Å; L668-L670 HydrophobicContact CG-CG 4.48Å; L668-P691 HydrophobicContact CD1-CB 4.01Å; L668-P691 HydrophobicContact CD1-CG 3.88Å; L668-Y757 HydrophobicContact CD2-CD1 3.27Å; L668-Y757 HydrophobicContact CD2-CE1 3.7Å; L668-Y757 HydrophobicContact CD2-CG 4.02Å; L668-Y760 HydrophobicContact CB-CD1 4.29Å; L668-Y760 HydrophobicContact CB-CD2 4.32Å; L668-Y760 HydrophobicContact CB-CE1 4.48Å; L668-Y760 HydrophobicContact CB-CG 4.18Å; L668-Y760 HydrophobicContact CD2-CD2 3.69Å; L668-Y760 HydrophobicContact CD2-CE2 3.74Å; L668-Y760 HydrophobicContact CD2-CG 4.36Å; L668-I763 HydrophobicContact CB-CG1 4.49Å; L668-I763 HydrophobicContact CB-CG2 4.44Å; L668-I763 HydrophobicContact CD2-CG2 4.39Å; L668-I763 HydrophobicContact CG-CG2 4.42Å; L668-I763 WeakPolarHBondContact O-CA 3.34Å; L668-L764 PolarHBondContact O-N 2.74Å
669	V	96.9	Very high	91.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.4	172.6	-170.1	0	0	0	0	110.1	L685 L690 P691 V692 H693 L764	V669-L685 HydrophobicContact CG2-CD1 3.97Å; V669-L685 HydrophobicContact CG2-CD2 3.88Å; V669-L690 HydrophobicContact CG2-CB 4.23Å; V669-L690 HydrophobicContact CG2-CD1 4.24Å; V669-P691 PolarHBondContact N-O 3.12Å; V669-V692 HydrophobicContact CB-CB 4.39Å; V669-V692 HydrophobicContact CB-CG1 4.22Å; V669-V692 HydrophobicContact CB-CG2 4.09Å; V669-V692 HydrophobicContact CG1-CG1 4.22Å; V669-V692 HydrophobicContact CG2-CG2 4.35Å; V669-V692 CarbonylContact O-C 3.6Å; V669-V692 WeakPolarHBondContact O-CA 3.31Å; V669-H693 PolarHBondContact O-N 3.47Å; V669-L764 CarbonylContact C-O 3.55Å; V669-L764 WeakPolarHBondContact CA-O 3.5Å; V669-L764 HydrophobicContact CG1-CB 4.24Å; V669-L764 HydrophobicContact CG1-CD2 4.22Å; V669-L764 HydrophobicContact CG1-CG 4.29Å; V669-L764 HydrophobicContact CG2-CB 4.29Å; V669-L764 HydrophobicContact CG2-CD2 4.48Å
670	L	97.8	Very high	92.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120.7	173.8	-55.5	178.9	0	0	0	108.1	L668 H693 I695 L698 F750 Y757 I763 L764 I765 V766	L668-L670 HydrophobicContact CD2-CD2 3.86Å; L668-L670 HydrophobicContact CD2-CG 4.35Å; L668-L670 HydrophobicContact CG-CD2 4.11Å; L668-L670 HydrophobicContact CG-CG 4.48Å; L670-H693 WeakPolarHBondContact CA-O 3.03Å; L670-H693 HydrophobicContact CD2-CB 3.84Å; L670-I695 HydrophobicContact CB-CG1 4.38Å; L670-I695 HydrophobicContact CD2-CG1 4.36Å; L670-L698 HydrophobicContact CB-CD1 4.11Å; L670-F750 HydrophobicContact CD1-CE2 3.9Å; L670-F750 HydrophobicContact CD1-CZ 3.72Å; L670-Y757 HydrophobicContact CD1-CD2 4.2Å; L670-Y757 HydrophobicContact CD1-CE2 4.19Å; L670-Y757 HydrophobicContact CD2-CE1 4.08Å; L670-Y757 HydrophobicContact CD2-CE2 4.3Å; L670-I763 HydrophobicContact CD1-CG2 3.72Å; L670-I763 HydrophobicContact CG-CG2 3.75Å; L670-L764 PolarHBondContact N-O 3.41Å; L670-I765 HydrophobicContact CB-CG1 4.38Å; L670-I765 VanDerWaalsContact O-CA 3.3Å; L670-I765 WeakPolarHBondContact O-CA 3.33Å; L670-V766 PolarHBondContact O-N 3.02Å
671	C	98.1	Very high	92.9	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.3	-172.8	-167.5	0	0	0	0	112.3	V692 H693 I694 I695 V766	C671-V692 HydrophobicContact CB-CG1 4.34Å; C671-H693 PolarHBondContact N-O 3.28Å; C671-I694 HydrophobicContact CB-CD1 4.1Å; C671-I694 CarbonylContact O-C 3.57Å; C671-I694 WeakPolarHBondContact O-CA 3.49Å; C671-I695 PolarHBondContact O-N 3.25Å; C671-V766 WeakPolarHBondContact CA-O 3.48Å
672	S	98	Very high	93.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.198	C	C	.	.			trans	-61.4	152	168.4	170.2	0	0	0	0	112.2	L674 Q678 L698 N699 V766 H768	S672-L674 PolarHBondContact O-N 3.46Å; S672-L674 PolarHBondContact OG-N 3.38Å; S672-L674 VanDerWaalsContact OG-N 3.16Å; S672-Q678 VanDerWaalsContact O-CG 3.31Å; S672-Q678 WeakPolarHBondContact O-CG 3.42Å; S672-L698 WeakPolarHBondContact CB-O 3.3Å; S672-N699 WeakPolarHBondContact OG-CA 3.33Å; S672-N699 PolarHBondContact OG-OD1 2.83Å; S672-V766 PolarHBondContact N-O 2.86Å; S672-V766 VanDerWaalsContact N-O 3.12Å; S672-H768 VanDerWaalsContact CB-NE2 3.3Å; S672-H768 WeakPolarHBondContact CB-NE2 3.49Å; S672-H768 PolarHBondContact OG-NE2 3.27Å
673	E	97.5	Very high	93.9	Very high	92 Å²	92	36.7 Å²	36.7	43%	0.43	18%	0.184	S	C	.	.	S	Bend	trans	-64.6	-23.7	171.2	-68.5	174.4	121.2	0	0	113.6	Q678 I694 P696 N699	E673-Q678 PolarHBondContact O-NE2 3.19Å; E673-I694 HydrophobicContact CB-CG2 4.12Å; E673-I694 HydrophobicContact CG-CG2 3.43Å; E673-I694 VanDerWaalsContact CG-CG2 3.43Å; E673-P696 HydrophobicContact CG-CG 4.37Å; E673-P696 WeakPolarHBondContact OE2-CA 3.44Å; E673-P696 WeakPolarHBondContact OE2-CB 3.43Å; E673-N699 PolarHBondContact N-OD1 2.86Å; E673-N699 PolarHBondContact OE2-ND2 3.01Å
674	L	97.2	Very high	94.8	Very high	25 Å²	25	32.2 Å²	32.2	13%	0.131	16%	0.16	C	C	.	.	S	Bend	trans	-71.8	131.7	-171.2	-56.1	-177.2	0	0	0	111.7	G640 S672 R676 A677 Q678 N699 E700	G640-L674 VanDerWaalsContact O-CD1 3.28Å; G640-L674 WeakPolarHBondContact O-CD1 3.32Å; S672-L674 PolarHBondContact O-N 3.46Å; S672-L674 PolarHBondContact OG-N 3.38Å; S672-L674 VanDerWaalsContact OG-N 3.16Å; L674-R676 VanDerWaalsContact C-N 3.32Å; L674-R676 PolarHBondContact O-N 2.83Å; L674-R676 VanDerWaalsContact O-N 3.12Å; L674-A677 WeakPolarHBondContact O-CB 3.42Å; L674-A677 PolarHBondContact O-N 2.85Å; L674-Q678 PolarHBondContact O-N 2.81Å; L674-N699 HydrophobicContact CD1-CB 4.18Å; L674-N699 HydrophobicContact CG-CB 4.2Å; L674-E700 HydrophobicContact CD1-CB 4.49Å
675	E	96.8	Very high	95.4	Very high	83 Å²	83	32.2 Å²	32.2	39%	0.388	16%	0.16	S	C	.	.	H	α-helix	trans	-50.5	-46.4	-166.5	-163.3	-74.9	149.1	0	0	113.3	A677 Q678 H679 R682	E675-A677 VanDerWaalsContact C-N 3.26Å; E675-A677 PolarHBondContact O-N 2.77Å; E675-Q678 CarbonylContact O-C 3.59Å; E675-Q678 PolarHBondContact O-N 2.64Å; E675-H679 WeakPolarHBondContact O-CB 3.35Å; E675-H679 PolarHBondContact O-N 3.24Å; E675-H679 IonicContact OE1-CE1 3.82Å; E675-H679 IonicContact OE1-CG 3.06Å; E675-H679 IonicContact OE1-ND1 3.48Å; E675-H679 PolarHBondContact OE1-ND1 3.18Å; E675-H679 IonicContact OE2-ND1 3.83Å; E675-R682 IonicContact OE1-CZ 3.54Å; E675-R682 IonicContact OE1-NH2 3.72Å; E675-R682 PolarHBondContact OE1-NH2 3.35Å
676	R	97	Very high	95.8	Very high	5 Å²	5	30.6 Å²	30.6	2%	0.019	15%	0.149	C	C	.	.	H	α-helix	trans	-53.5	-38.1	178.3	62.1	-170.5	-171.1	-109	-5.2	114.1	H627 T630 G640 A642 T644 L646 L674 T680 H768	H627-R676 HydrophobicContact CB-CB 4.22Å; H627-R676 HydrophobicContact CB-CG 4.06Å; H627-R676 PolarHBondContact NE2-NE 2.62Å; T630-R676 HydrophobicContact CG2-CB 4.08Å; G640-R676 PolarHBondContact O-NH1 2.75Å; G640-R676 PolarHBondContact O-NH2 3.4Å; A642-R676 PolarHBondContact O-NH1 3.5Å; T644-R676 WeakPolarHBondContact O-CB 3.41Å; T644-R676 PolarHBondContact OG1-NH1 3.07Å; L646-R676 HydrophobicContact CD2-CB 3.95Å; L674-R676 VanDerWaalsContact C-N 3.32Å; L674-R676 PolarHBondContact O-N 2.83Å; L674-R676 VanDerWaalsContact O-N 3.12Å; R676-T680 WeakPolarHBondContact O-CB 3.22Å; R676-T680 PolarHBondContact O-N 3.07Å; R676-T680 PolarHBondContact O-OG1 3.41Å; R676-H768 PolarHBondContact NE-CE1 2.74Å; R676-H768 PolarHBondContact NE-ND1 3.44Å; R676-H768 VanDerWaalsContact NE-ND1 3.17Å; R676-H768 PolarHBondContact NH2-CE1 2.88Å; R676-H768 PolarHBondContact NH2-ND1 2.85Å
677	A	97.8	Very high	95.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-73.3	-46.1	176.4	0	0	0	0	0	110.7	H627 L674 E675 H679 T680 A681 V766	H627-A677 HydrophobicContact CB-CB 4.45Å; L674-A677 WeakPolarHBondContact O-CB 3.42Å; L674-A677 PolarHBondContact O-N 2.85Å; E675-A677 VanDerWaalsContact C-N 3.26Å; E675-A677 PolarHBondContact O-N 2.77Å; A677-H679 VanDerWaalsContact C-N 3.25Å; A677-H679 PolarHBondContact O-N 2.89Å; A677-T680 PolarHBondContact O-N 3.37Å; A677-A681 WeakPolarHBondContact O-CB 3.35Å; A677-A681 PolarHBondContact O-N 3.07Å; A677-V766 HydrophobicContact CB-CG1 4.39Å; A677-V766 WeakPolarHBondContact O-CG1 3.28Å
678	Q	97.7	Very high	95.8	Very high	68 Å²	68	37 Å²	37	32%	0.318	18%	0.179	S	C	.	.	H	α-helix	trans	-62.4	-31.1	175	-61.2	-163.2	49.2	0	0	113.1	S672 E673 L674 E675 R682 I694	S672-Q678 VanDerWaalsContact O-CG 3.31Å; S672-Q678 WeakPolarHBondContact O-CG 3.42Å; E673-Q678 PolarHBondContact O-NE2 3.19Å; L674-Q678 PolarHBondContact O-N 2.81Å; E675-Q678 CarbonylContact O-C 3.59Å; E675-Q678 PolarHBondContact O-N 2.64Å; Q678-R682 WeakPolarHBondContact O-CB 3.48Å; Q678-R682 VanDerWaalsContact O-CG 3.31Å; Q678-R682 WeakPolarHBondContact O-CG 3.41Å; Q678-R682 PolarHBondContact O-N 3.01Å; Q678-R682 PolarHBondContact O-NE 2.79Å; Q678-I694 HydrophobicContact CG-CD1 4.2Å
679	H	97.8	Very high	95.4	Very high	48 Å²	48	46.3 Å²	46.3	22%	0.222	22%	0.223	C	C	.	.	H	α-helix	trans	-72.4	-46.6	176.2	-154.5	146	0	0	0	111	L646 E675 A677 A681 R682 L683	L646-H679 HydrophobicContact CD1-CB 3.87Å; L646-H679 HydrophobicContact CG-CB 4.33Å; E675-H679 WeakPolarHBondContact O-CB 3.35Å; E675-H679 PolarHBondContact O-N 3.24Å; E675-H679 IonicContact OE1-CE1 3.82Å; E675-H679 IonicContact OE1-CG 3.06Å; E675-H679 IonicContact OE1-ND1 3.48Å; E675-H679 PolarHBondContact OE1-ND1 3.18Å; E675-H679 IonicContact OE2-ND1 3.83Å; A677-H679 VanDerWaalsContact C-N 3.25Å; A677-H679 PolarHBondContact O-N 2.89Å; H679-A681 VanDerWaalsContact C-N 3.32Å; H679-A681 PolarHBondContact O-N 3.37Å; H679-R682 PolarHBondContact O-N 3.37Å; H679-L683 WeakPolarHBondContact O-CG 3.35Å; H679-L683 PolarHBondContact O-N 3.23Å
680	T	98.1	Very high	95	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.3	-45.7	172.8	-54.6	0	0	0	0	110.5	I625 H627 G628 A654 R676 A677 L683 V684 V766	I625-T680 HydrophobicContact CG2-CG2 4.04Å; H627-T680 VanDerWaalsContact CA-OG1 3.28Å; H627-T680 WeakPolarHBondContact CA-OG1 3.45Å; G628-T680 PolarHBondContact N-OG1 2.95Å; A654-T680 HydrophobicContact CB-CG2 3.91Å; R676-T680 WeakPolarHBondContact O-CB 3.22Å; R676-T680 PolarHBondContact O-N 3.07Å; R676-T680 PolarHBondContact O-OG1 3.41Å; A677-T680 PolarHBondContact O-N 3.37Å; T680-L683 PolarHBondContact O-N 3.43Å; T680-V684 HydrophobicContact CG2-CG2 4.28Å; T680-V684 WeakPolarHBondContact O-CG2 3.43Å; T680-V684 PolarHBondContact O-N 3.03Å; T680-V766 HydrophobicContact CG2-CG1 4.2Å
681	A	97.2	Very high	94.7	Very high	4 Å²	4	51.6 Å²	51.6	3%	0.033	25%	0.254	C	S	.	.	H	α-helix	trans	-58.9	-49.6	176.7	0	0	0	0	0	111.8	A677 H679 L683 V684 L685 V766	A677-A681 WeakPolarHBondContact O-CB 3.35Å; A677-A681 PolarHBondContact O-N 3.07Å; H679-A681 VanDerWaalsContact C-N 3.32Å; H679-A681 PolarHBondContact O-N 3.37Å; A681-L683 VanDerWaalsContact C-N 3.29Å; A681-L683 PolarHBondContact O-N 3.03Å; A681-V684 PolarHBondContact O-N 2.85Å; A681-L685 WeakPolarHBondContact O-CB 3.45Å; A681-L685 VanDerWaalsContact O-CG 3.23Å; A681-L685 WeakPolarHBondContact O-CG 3.21Å; A681-L685 PolarHBondContact O-N 2.91Å; A681-V766 HydrophobicContact CB-CB 4.16Å; A681-V766 HydrophobicContact CB-CG1 4.22Å; A681-V766 HydrophobicContact CB-CG2 3.96Å
682	R	96.8	Very high	94.5	Very high	134 Å²	134	54.6 Å²	54.6	51%	0.506	27%	0.272	S	S	.	.	H	α-helix	trans	-54.8	-42.6	175.6	-79.2	174.8	-75.2	144.5	-8.2	112.6	E675 Q678 H679 S686	E675-R682 IonicContact OE1-CZ 3.54Å; E675-R682 IonicContact OE1-NH2 3.72Å; E675-R682 PolarHBondContact OE1-NH2 3.35Å; Q678-R682 WeakPolarHBondContact O-CB 3.48Å; Q678-R682 VanDerWaalsContact O-CG 3.31Å; Q678-R682 WeakPolarHBondContact O-CG 3.41Å; Q678-R682 PolarHBondContact O-N 3.01Å; Q678-R682 PolarHBondContact O-NE 2.79Å; H679-R682 PolarHBondContact O-N 3.37Å; R682-S686 PolarHBondContact O-N 3.03Å
683	L	96.8	Very high	94.5	Very high	39 Å²	39	58 Å²	58	20%	0.204	29%	0.288	C	S	.	.	H	α-helix	trans	-71.7	-38.8	179.9	-69.7	168.5	0	0	0	113	L646 I651 A654 Q655 H679 T680 A681	L646-L683 HydrophobicContact CD1-CD1 4.18Å; I651-L683 HydrophobicContact CB-CD1 4.24Å; I651-L683 HydrophobicContact CG1-CD1 4.2Å; I651-L683 HydrophobicContact CG2-CD1 3.94Å; A654-L683 HydrophobicContact CB-CB 3.59Å; A654-L683 HydrophobicContact CB-CD1 3.81Å; A654-L683 HydrophobicContact CB-CG 4.36Å; Q655-L683 HydrophobicContact CG-CD2 4.22Å; H679-L683 WeakPolarHBondContact O-CG 3.35Å; H679-L683 PolarHBondContact O-N 3.23Å; T680-L683 PolarHBondContact O-N 3.43Å; A681-L683 VanDerWaalsContact C-N 3.29Å; A681-L683 PolarHBondContact O-N 3.03Å
684	V	95.1	Very high	94.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-70.4	-35.6	176.4	172.8	0	0	0	0	112	I625 A654 L657 H658 T680 A681 L764	I625-V684 HydrophobicContact CD1-CG1 3.91Å; I625-V684 HydrophobicContact CD1-CG2 4.21Å; A654-V684 HydrophobicContact CB-CG2 4.38Å; A654-V684 WeakPolarHBondContact O-CG2 3.43Å; L657-V684 HydrophobicContact CB-CG2 3.75Å; H658-V684 PolarHBondContact ND1-O 3.4Å; T680-V684 HydrophobicContact CG2-CG2 4.28Å; T680-V684 WeakPolarHBondContact O-CG2 3.43Å; T680-V684 PolarHBondContact O-N 3.03Å; A681-V684 PolarHBondContact O-N 2.85Å; V684-L764 HydrophobicContact CG1-CD2 4.25Å
685	L	93.8	Very high	94.5	Very high	13 Å²	13	56 Å²	56	7%	0.068	28%	0.28	C	S	.	.	H	α-helix	trans	-76.7	-32.4	178.3	-66.4	-178.4	0	0	0	112.9	V669 A681 D687 R688 L690 V692 L764	V669-L685 HydrophobicContact CG2-CD1 3.97Å; V669-L685 HydrophobicContact CG2-CD2 3.88Å; A681-L685 WeakPolarHBondContact O-CB 3.45Å; A681-L685 VanDerWaalsContact O-CG 3.23Å; A681-L685 WeakPolarHBondContact O-CG 3.21Å; A681-L685 PolarHBondContact O-N 2.91Å; L685-D687 PolarHBondContact O-N 3.33Å; L685-R688 VanDerWaalsContact O-CB 3.24Å; L685-R688 WeakPolarHBondContact O-CB 3.37Å; L685-R688 VanDerWaalsContact O-CG 3.23Å; L685-R688 WeakPolarHBondContact O-CG 3.42Å; L685-R688 PolarHBondContact O-N 2.87Å; L685-L690 HydrophobicContact CD2-CD1 4.2Å; L685-V692 HydrophobicContact CD1-CG2 3.89Å; L685-L764 HydrophobicContact CD2-CD2 4.06Å
686	S	91.3	Very high	94.4	Very high	63 Å²	63	55 Å²	55	44%	0.441	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	-130.6	-175.2	-168.8	0	0	0	0	110.2	H658 R682 R688	H658-S686 VanDerWaalsContact CE1-CB 3.48Å; H658-S686 WeakPolarHBondContact CE1-CB 3.16Å; R682-S686 PolarHBondContact O-N 3.03Å; S686-R688 VanDerWaalsContact C-N 3.26Å; S686-R688 PolarHBondContact O-N 3.21Å
687	D	87.4	Confident	94.4	Very high	151 Å²	151	56.1 Å²	56.1	81%	0.807	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	1.8	178.9	-66.8	-44.8	0	0	0	115.3	L685 Q689	L685-D687 PolarHBondContact O-N 3.33Å; D687-Q689 PolarHBondContact O-N 2.97Å
688	R	88.2	Confident	94.4	Very high	51 Å²	51	56.2 Å²	56.2	19%	0.192	29%	0.286	C	S	.	.			trans	-74.3	109.4	-172.4	-60.3	-172.3	-51.7	177.8	8.1	112.6	L661 D662 V664 F666 L685 S686 L690	L661-R688 PolarHBondContact O-NH1 2.57Å; D662-R688 PolarHBondContact O-NH1 3.41Å; V664-R688 PolarHBondContact O-NH1 3.34Å; F666-R688 VanDerWaalsContact CD2-NH2 3.26Å; F666-R688 VanDerWaalsContact CE2-NH2 3.27Å; L685-R688 VanDerWaalsContact O-CB 3.24Å; L685-R688 WeakPolarHBondContact O-CB 3.37Å; L685-R688 VanDerWaalsContact O-CG 3.23Å; L685-R688 WeakPolarHBondContact O-CG 3.42Å; L685-R688 PolarHBondContact O-N 2.87Å; S686-R688 VanDerWaalsContact C-N 3.26Å; S686-R688 PolarHBondContact O-N 3.21Å; R688-L690 PolarHBondContact O-N 2.63Å
689	Q	86.1	Confident	94.4	Very high	196 Å²	196	53.4 Å²	53.4	92%	0.916	27%	0.273	S	S	*	.			trans	-76.8	82.2	179.7	-62.1	-178.1	20.7	0	0	112.2	D687	D687-Q689 PolarHBondContact O-N 2.97Å
690	L	87.8	Confident	94.3	Very high	51 Å²	51	51.9 Å²	51.9	27%	0.267	27%	0.266	S	S	.	.			trans	-110.7	154.1	175.7	-63.2	179.9	0	0	0	111.6	F666 V669 L685 R688 V692	F666-L690 HydrophobicContact CB-CD1 3.79Å; F666-L690 WeakPolarHBondContact O-CD1 3.45Å; F666-L690 WeakPolarHBondContact O-CD2 3.45Å; V669-L690 HydrophobicContact CG2-CB 4.23Å; V669-L690 HydrophobicContact CG2-CD1 4.24Å; L685-L690 HydrophobicContact CD2-CD1 4.2Å; R688-L690 PolarHBondContact O-N 2.63Å; L690-V692 PolarHBondContact O-N 3.16Å
691	P	92	Very high	94.1	Very high	60 Å²	60	52.4 Å²	52.4	39%	0.39	27%	0.269	S	S	.	.			trans	-64	127.1	168.5	26.2	-31.1	0	0	0	109.9	D667 L668 V669	D667-P691 WeakPolarHBondContact O-CD 3.48Å; D667-P691 WeakPolarHBondContact O-CG 3.27Å; L668-P691 HydrophobicContact CD1-CB 4.01Å; L668-P691 HydrophobicContact CD1-CG 3.88Å; V669-P691 PolarHBondContact N-O 3.12Å
692	V	95.1	Very high	94	Very high	64 Å²	64	55.7 Å²	55.7	39%	0.388	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	113.8	174.8	-172.3	0	0	0	0	108.3	V669 C671 L685 L690 I694	V669-V692 HydrophobicContact CB-CB 4.39Å; V669-V692 HydrophobicContact CB-CG1 4.22Å; V669-V692 HydrophobicContact CB-CG2 4.09Å; V669-V692 HydrophobicContact CG1-CG1 4.22Å; V669-V692 HydrophobicContact CG2-CG2 4.35Å; V669-V692 CarbonylContact O-C 3.6Å; V669-V692 WeakPolarHBondContact O-CA 3.31Å; C671-V692 HydrophobicContact CB-CG1 4.34Å; L685-V692 HydrophobicContact CD1-CG2 3.89Å; L690-V692 PolarHBondContact O-N 3.16Å; V692-I694 HydrophobicContact CG1-CD1 4.12Å
693	H	97	Very high	93.8	Very high	70 Å²	70	50.5 Å²	50.5	32%	0.324	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.5	171.2	-63.4	179.9	0	0	0	109.3	V669 L670 C671 I695 Y757	V669-H693 PolarHBondContact O-N 3.47Å; L670-H693 WeakPolarHBondContact CA-O 3.03Å; L670-H693 HydrophobicContact CD2-CB 3.84Å; C671-H693 PolarHBondContact N-O 3.28Å; H693-I695 HydrophobicContact CB-CD1 4.04Å; H693-I695 HydrophobicContact CB-CG1 4.46Å; H693-Y757 AromaticContact CE1-CE1 4Å; H693-Y757 AromaticContact ND1-CE1 3.61Å
694	I	97.5	Very high	93.6	Very high	70 Å²	70	49.1 Å²	49.1	36%	0.359	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	127	173	-54.2	-56.8	0	0	0	108.4	C671 E673 Q678 V692	C671-I694 HydrophobicContact CB-CD1 4.1Å; C671-I694 CarbonylContact O-C 3.57Å; C671-I694 WeakPolarHBondContact O-CA 3.49Å; E673-I694 HydrophobicContact CB-CG2 4.12Å; E673-I694 HydrophobicContact CG-CG2 3.43Å; E673-I694 VanDerWaalsContact CG-CG2 3.43Å; Q678-I694 HydrophobicContact CG-CD1 4.2Å; V692-I694 HydrophobicContact CG1-CD1 4.12Å
695	I	96.7	Very high	93.5	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.036	28%	0.282	C	S	.	.			trans	-127.2	107.1	-167.9	-55.2	-63.4	0	0	0	109.2	L670 C671 H693 E697 L698 F750	L670-I695 HydrophobicContact CB-CG1 4.38Å; L670-I695 HydrophobicContact CD2-CG1 4.36Å; C671-I695 PolarHBondContact O-N 3.25Å; H693-I695 HydrophobicContact CB-CD1 4.04Å; H693-I695 HydrophobicContact CB-CG1 4.46Å; I695-E697 HydrophobicContact CG2-CB 4.01Å; I695-E697 WeakPolarHBondContact CG2-OE2 3.5Å; I695-E697 PolarHBondContact O-N 3.08Å; I695-L698 HydrophobicContact CB-CB 4.43Å; I695-L698 HydrophobicContact CB-CD1 3.97Å; I695-L698 HydrophobicContact CB-CG 4.07Å; I695-L698 HydrophobicContact CG1-CD1 4.35Å; I695-L698 HydrophobicContact CG2-CB 4.49Å; I695-L698 HydrophobicContact CG2-CD1 4.28Å; I695-L698 HydrophobicContact CG2-CG 3.93Å; I695-L698 WeakPolarHBondContact O-CB 3.38Å; I695-L698 PolarHBondContact O-N 3.42Å; I695-F750 HydrophobicContact CG2-CD2 3.77Å; I695-F750 HydrophobicContact CG2-CE2 4.11Å
696	P	95.8	Very high	93.4	Very high	61 Å²	61	53 Å²	53	40%	0.396	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-57.4	-32.5	177.9	-24.9	33.1	0	0	0	113.6	E673 L698 N699	E673-P696 HydrophobicContact CG-CG 4.37Å; E673-P696 WeakPolarHBondContact OE2-CA 3.44Å; E673-P696 WeakPolarHBondContact OE2-CB 3.43Å; P696-L698 PolarHBondContact O-N 2.85Å; P696-L698 VanDerWaalsContact O-N 3.14Å; P696-N699 WeakPolarHBondContact O-CB 3.39Å; P696-N699 VanDerWaalsContact O-CG 3.23Å; P696-N699 PolarHBondContact O-N 3.3Å; P696-N699 PolarHBondContact O-ND2 3.34Å
697	E	96.2	Very high	93.5	Very high	29 Å²	29	51.2 Å²	51.2	14%	0.136	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-60.6	-22.7	178	-59.7	97.2	124.5	0	0	113.1	I695 R746 F750 R753	I695-E697 HydrophobicContact CG2-CB 4.01Å; I695-E697 WeakPolarHBondContact CG2-OE2 3.5Å; I695-E697 PolarHBondContact O-N 3.08Å; E697-R746 HydrophobicContact CB-CG 4.21Å; E697-R746 HydrophobicContact CG-CG 4.46Å; E697-R746 PolarHBondContact O-NH1 3.23Å; E697-F750 HydrophobicContact CB-CB 3.88Å; E697-R753 IonicContact OE1-CZ 2.73Å; E697-R753 IonicContact OE1-NH1 3.56Å; E697-R753 PolarHBondContact OE1-NH1 3.24Å; E697-R753 IonicContact OE2-NH1 3.69Å
698	L	97.5	Very high	93.7	Very high	1 Å²	1	48 Å²	48	1%	0.005	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-87.5	5.5	179.4	-68.5	179.9	0	0	0	114.9	L670 S672 I695 P696 F750 I765 S767 H768 V771	L670-L698 HydrophobicContact CB-CD1 4.11Å; S672-L698 WeakPolarHBondContact CB-O 3.3Å; I695-L698 HydrophobicContact CB-CB 4.43Å; I695-L698 HydrophobicContact CB-CD1 3.97Å; I695-L698 HydrophobicContact CB-CG 4.07Å; I695-L698 HydrophobicContact CG1-CD1 4.35Å; I695-L698 HydrophobicContact CG2-CB 4.49Å; I695-L698 HydrophobicContact CG2-CD1 4.28Å; I695-L698 HydrophobicContact CG2-CG 3.93Å; I695-L698 WeakPolarHBondContact O-CB 3.38Å; I695-L698 PolarHBondContact O-N 3.42Å; P696-L698 PolarHBondContact O-N 2.85Å; P696-L698 VanDerWaalsContact O-N 3.14Å; L698-F750 HydrophobicContact CD1-CE2 4.01Å; L698-F750 HydrophobicContact CD1-CZ 4.11Å; L698-F750 HydrophobicContact CD2-CD1 3.77Å; L698-F750 HydrophobicContact CD2-CD2 4.12Å; L698-F750 HydrophobicContact CD2-CE1 3.77Å; L698-F750 HydrophobicContact CD2-CE2 4.09Å; L698-F750 HydrophobicContact CD2-CG 3.95Å; L698-F750 HydrophobicContact CD2-CZ 3.92Å; L698-F750 HydrophobicContact CG-CD2 4.13Å; L698-F750 HydrophobicContact CG-CE2 4.06Å; L698-F750 HydrophobicContact CG-CG 4.42Å; L698-F750 HydrophobicContact CG-CZ 4.3Å; L698-I765 HydrophobicContact CD1-CG2 3.91Å; L698-I765 HydrophobicContact CD2-CG2 4.21Å; L698-S767 PolarHBondContact O-OG 3.14Å; L698-H768 PolarHBondContact O-CD2 2.85Å; L698-H768 VanDerWaalsContact O-CD2 3.31Å; L698-V771 HydrophobicContact CD2-CG1 3.84Å
699	N	97.5	Very high	93.7	Very high	9 Å²	9	48.9 Å²	48.9	5%	0.048	25%	0.249	C	C	.	.	S	Bend	trans	-71.3	151.8	176.5	-61.2	-16.3	0	0	0	111.6	S672 E673 L674 P696 R746 V771	S672-N699 WeakPolarHBondContact OG-CA 3.33Å; S672-N699 PolarHBondContact OG-OD1 2.83Å; E673-N699 PolarHBondContact N-OD1 2.86Å; E673-N699 PolarHBondContact OE2-ND2 3.01Å; L674-N699 HydrophobicContact CD1-CB 4.18Å; L674-N699 HydrophobicContact CG-CB 4.2Å; P696-N699 WeakPolarHBondContact O-CB 3.39Å; P696-N699 VanDerWaalsContact O-CG 3.23Å; P696-N699 PolarHBondContact O-N 3.3Å; P696-N699 PolarHBondContact O-ND2 3.34Å; N699-R746 PolarHBondContact O-NH1 2.96Å; N699-R746 PolarHBondContact O-NH2 2.91Å; N699-V771 WeakPolarHBondContact O-CG2 3.27Å
700	E	96.3	Very high	93.7	Very high	16 Å²	16	41.3 Å²	41.3	8%	0.075	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-63.6	163.4	177.5	-167.7	56.3	-68.6	0	0	111.7	H641 L674 F702 R746 H768 Q769 G770 V771	H641-E700 PolarHBondContact CD2-O 3.23Å; H641-E700 PolarHBondContact NE2-O 2.95Å; L674-E700 HydrophobicContact CD1-CB 4.49Å; E700-F702 PolarHBondContact O-N 3.48Å; E700-R746 PolarHBondContact O-NH2 3.11Å; E700-H768 HydrophobicContact CB-CB 3.7Å; E700-H768 VanDerWaalsContact CD-CB 3.47Å; E700-H768 HydrophobicContact CG-CB 3.94Å; E700-H768 PolarHBondContact N-CD2 2.93Å; E700-H768 VanDerWaalsContact N-CD2 3.27Å; E700-H768 WeakPolarHBondContact OE2-CB 3.44Å; E700-Q769 PolarHBondContact OE2-N 3.26Å; E700-G770 WeakPolarHBondContact OE1-CA 3.47Å; E700-G770 PolarHBondContact OE1-N 3.36Å; E700-G770 PolarHBondContact OE2-N 3.18Å; E700-V771 PolarHBondContact OE1-N 2.89Å
701	M	94.6	Very high	93.1	Very high	12 Å²	12	39.5 Å²	39.5	6%	0.059	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-55.2	126.9	172.5	-177.5	-175	168.4	0	0	111.2	G640 F703 W725 P734 E738 F743	G640-M701 WeakPolarHBondContact CA-O 3.31Å; M701-F703 HydrophobicContact CB-CE2 4.33Å; M701-F703 HydrophobicContact CB-CZ 4.13Å; M701-F703 HydrophobicContact CE-CD1 4.32Å; M701-F703 HydrophobicContact CE-CE1 4.06Å; M701-F703 HydrophobicContact CG-CE1 4.27Å; M701-F703 HydrophobicContact CG-CZ 4.27Å; M701-F703 VanDerWaalsContact O-CD2 3.23Å; M701-F703 WeakPolarHBondContact O-CD2 3.27Å; M701-F703 VanDerWaalsContact O-CE2 3.3Å; M701-F703 WeakPolarHBondContact O-CE2 3.38Å; M701-F703 PolarHBondContact O-N 3.21Å; M701-F703 HydrophobicContact SD-CD1 4.42Å; M701-F703 HydrophobicContact SD-CE1 3.68Å; M701-F703 HydrophobicContact SD-CZ 3.98Å; M701-W725 HydrophobicContact CE-CH2 3.55Å; M701-W725 HydrophobicContact CE-CZ3 3.84Å; M701-W725 HydrophobicContact SD-CH2 4.04Å; M701-P734 HydrophobicContact CE-CG 3.98Å; M701-E738 WeakPolarHBondContact CA-OE1 3.4Å; M701-E738 WeakPolarHBondContact CE-O 3.26Å; M701-E738 HydrophobicContact CG-CG 3.99Å; M701-F743 HydrophobicContact CB-CD2 3.64Å; M701-F743 HydrophobicContact CB-CE2 3.8Å; M701-F743 HydrophobicContact CB-CG 4.03Å; M701-F743 HydrophobicContact CB-CZ 4.29Å; M701-F743 HydrophobicContact CG-CB 4.33Å; M701-F743 HydrophobicContact CG-CD2 4.19Å; M701-F743 HydrophobicContact CG-CG 4.21Å; M701-F743 VanDerWaalsContact N-CE2 3.32Å
702	F	95.2	Very high	92.4	Very high	72 Å²	72	42.7 Å²	42.7	32%	0.316	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-78	116.6	177.2	177.3	-128.7	0	0	0	111.8	H641 E700 E707 N736 G737 E738	H641-F702 HydrophobicContact CB-CD2 3.79Å; H641-F702 HydrophobicContact CB-CE2 4.38Å; H641-F702 AromaticContact CG-CD2 3.86Å; H641-F702 AromaticContact ND1-CD2 3.85Å; H641-F702 AromaticContact ND1-CG 3.91Å; E700-F702 PolarHBondContact O-N 3.48Å; F702-E707 HydrophobicContact CD2-CG 4.2Å; F702-E707 WeakPolarHBondContact CD2-OE1 3.09Å; F702-E707 HydrophobicContact CE2-CG 3.99Å; F702-N736 VanDerWaalsContact CE1-O 3.28Å; F702-N736 WeakPolarHBondContact CE1-O 3.39Å; F702-G737 WeakPolarHBondContact O-CA 3.35Å; F702-E738 HydrophobicContact CB-CG 4.37Å; F702-E738 PolarHBondContact N-OE1 2.95Å; F702-E738 PolarHBondContact O-N 3.29Å
703	F	92	Very high	91.8	Very high	26 Å²	26	42.1 Å²	42.1	11%	0.114	20%	0.203	C	C	.	.			trans	-90.5	2.4	-174.4	-69	-73.5	0	0	0	114.6	Y638 M701 D705 W706 E707 P734	Y638-F703 AromaticContact CD1-CD1 3.67Å; Y638-F703 HydrophobicContact CD1-CD1 3.67Å; Y638-F703 HydrophobicContact CD1-CD2 4.34Å; Y638-F703 AromaticContact CD1-CE1 3.68Å; Y638-F703 HydrophobicContact CD1-CE1 3.68Å; Y638-F703 HydrophobicContact CD1-CE2 4.35Å; Y638-F703 HydrophobicContact CD1-CG 4.02Å; Y638-F703 HydrophobicContact CD1-CZ 4.04Å; Y638-F703 HydrophobicContact CE1-CD1 4.34Å; Y638-F703 HydrophobicContact CE1-CE1 4.13Å; M701-F703 HydrophobicContact CB-CE2 4.33Å; M701-F703 HydrophobicContact CB-CZ 4.13Å; M701-F703 HydrophobicContact CE-CD1 4.32Å; M701-F703 HydrophobicContact CE-CE1 4.06Å; M701-F703 HydrophobicContact CG-CE1 4.27Å; M701-F703 HydrophobicContact CG-CZ 4.27Å; M701-F703 VanDerWaalsContact O-CD2 3.23Å; M701-F703 WeakPolarHBondContact O-CD2 3.27Å; M701-F703 VanDerWaalsContact O-CE2 3.3Å; M701-F703 WeakPolarHBondContact O-CE2 3.38Å; M701-F703 PolarHBondContact O-N 3.21Å; M701-F703 HydrophobicContact SD-CD1 4.42Å; M701-F703 HydrophobicContact SD-CE1 3.68Å; M701-F703 HydrophobicContact SD-CZ 3.98Å; F703-D705 PolarHBondContact O-N 3.08Å; F703-W706 HydrophobicContact CB-CB 4.18Å; F703-W706 WeakPolarHBondContact O-CB 3.48Å; F703-W706 PolarHBondContact O-N 3.24Å; F703-W706 VanDerWaalsContact O-N 3.13Å; F703-E707 HydrophobicContact CB-CG 4.18Å; F703-E707 PolarHBondContact N-OE1 3.35Å; F703-P734 HydrophobicContact CD1-CG 4.17Å; F703-P734 WeakPolarHBondContact O-CB 3.38Å
704	G	92.8	Very high	91.2	Very high	10 Å²	10	39 Å²	39	10%	0.103	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	63	-129.6	176.3	0	0	0	0	0	113	W706 E707	G704-W706 PolarHBondContact O-N 2.91Å; G704-E707 WeakPolarHBondContact O-CB 3.21Å; G704-E707 WeakPolarHBondContact O-CG 3.14Å; G704-E707 PolarHBondContact O-N 3.45Å; G704-E707 VanDerWaalsContact O-N 3.1Å
705	D	92.8	Very high	90.4	Very high	91 Å²	91	40.4 Å²	40.4	49%	0.487	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-69.4	-10.1	178.6	-62	-21.2	0	0	0	112.9	F703 R709 T735 N736	F703-D705 PolarHBondContact O-N 3.08Å; D705-R709 WeakPolarHBondContact O-CG 3.3Å; D705-T735 PolarHBondContact N-O 3.26Å; D705-T735 WeakPolarHBondContact OD2-CG2 3.47Å; D705-N736 PolarHBondContact OD2-ND2 3.13Å
706	W	91.9	Very high	89.7	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.008	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-85.4	-8.5	172.6	-61.3	8.7	0	0	0	112.8	Y638 F703 G704 M708 R709 L714 D718 N721 Y722 W725 P734	Y638-W706 WeakPolarHBondContact CB-O 3.39Å; Y638-W706 HydrophobicContact CE1-CE3 4.42Å; F703-W706 HydrophobicContact CB-CB 4.18Å; F703-W706 WeakPolarHBondContact O-CB 3.48Å; F703-W706 PolarHBondContact O-N 3.24Å; F703-W706 VanDerWaalsContact O-N 3.13Å; G704-W706 PolarHBondContact O-N 2.91Å; W706-M708 PolarHBondContact O-N 2.7Å; W706-R709 VanDerWaalsContact O-CB 3.28Å; W706-R709 WeakPolarHBondContact O-CB 3.4Å; W706-R709 WeakPolarHBondContact O-CG 3.24Å; W706-R709 PolarHBondContact O-N 3.24Å; W706-L714 HydrophobicContact CB-CD1 4.02Å; W706-L714 HydrophobicContact CB-CD2 4.21Å; W706-L714 HydrophobicContact CD2-CD1 3.63Å; W706-L714 HydrophobicContact CD2-CD2 4.17Å; W706-L714 HydrophobicContact CD2-CG 4.49Å; W706-L714 HydrophobicContact CE3-CD1 3.76Å; W706-L714 HydrophobicContact CG-CD1 3.76Å; W706-L714 HydrophobicContact CG-CD2 3.71Å; W706-L714 HydrophobicContact CG-CG 4.4Å; W706-L714 HydrophobicContact CZ3-CD1 4.47Å; W706-D718 PolarHBondContact NE1-OD2 3.27Å; W706-N721 HydrophobicContact CZ2-CB 3.99Å; W706-Y722 HydrophobicContact CH2-CD2 4.19Å; W706-Y722 HydrophobicContact CZ3-CD2 4.32Å; W706-W725 HydrophobicContact CH2-CB 3.67Å; W706-W725 AromaticContact CH2-CG 3.94Å; W706-W725 HydrophobicContact CH2-CG 3.94Å; W706-W725 HydrophobicContact CZ3-CB 4.12Å; W706-W725 HydrophobicContact CZ3-CD2 4.22Å; W706-W725 AromaticContact CZ3-CG 3.85Å; W706-W725 HydrophobicContact CZ3-CG 3.85Å; W706-P734 HydrophobicContact CD2-CB 3.89Å; W706-P734 HydrophobicContact CE3-CB 3.98Å; W706-P734 HydrophobicContact CE3-CG 4.18Å; W706-P734 HydrophobicContact CG-CB 4.24Å; W706-P734 HydrophobicContact CZ3-CB 4.4Å; W706-P734 HydrophobicContact CZ3-CG 4.3Å
707	E	92.4	Very high	89.3	Confident	27 Å²	27	50.8 Å²	50.8	13%	0.126	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	131.6	174.7	-70.2	-80.4	169.7	0	0	111.3	G640 H641 A642 F702 F703 G704 R709	G640-E707 WeakPolarHBondContact CA-OE1 3.35Å; G640-E707 PolarHBondContact N-OE1 3.37Å; G640-E707 PolarHBondContact N-OE2 2.94Å; H641-E707 PolarHBondContact N-OE1 2.98Å; H641-E707 PolarHBondContact N-OE2 3.42Å; A642-E707 HydrophobicContact CB-CB 4.31Å; A642-E707 WeakPolarHBondContact CB-OE2 3.49Å; A642-E707 PolarHBondContact N-OE2 3.13Å; F702-E707 HydrophobicContact CD2-CG 4.2Å; F702-E707 WeakPolarHBondContact CD2-OE1 3.09Å; F702-E707 HydrophobicContact CE2-CG 3.99Å; F703-E707 HydrophobicContact CB-CG 4.18Å; F703-E707 PolarHBondContact N-OE1 3.35Å; G704-E707 WeakPolarHBondContact O-CB 3.21Å; G704-E707 WeakPolarHBondContact O-CG 3.14Å; G704-E707 PolarHBondContact O-N 3.45Å; G704-E707 VanDerWaalsContact O-N 3.1Å; E707-R709 PolarHBondContact O-N 2.98Å
708	M	91.9	Very high	88.7	Confident	83 Å²	83	51 Å²	51	41%	0.409	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	15.1	-174.8	-55.4	-60.4	-67	0	0	115.2	A632 L637 Y638 A642 T644 W706	A632-M708 HydrophobicContact CB-CE 4.04Å; A632-M708 HydrophobicContact CB-SD 4.02Å; L637-M708 HydrophobicContact CD1-CE 3.73Å; Y638-M708 PolarHBondContact O-N 2.8Å; A642-M708 HydrophobicContact CB-CG 3.66Å; A642-M708 HydrophobicContact CB-SD 3.86Å; T644-M708 HydrophobicContact CG2-CE 3.87Å; T644-M708 HydrophobicContact CG2-SD 3.38Å; T644-M708 WeakPolarHBondContact CG2-SD 3.28Å; W706-M708 PolarHBondContact O-N 2.7Å
709	R	89.7	Confident	88	Confident	69 Å²	69	53.2 Å²	53.2	26%	0.26	26%	0.258	S	S	.	.			trans	-92.4	149.3	172.6	-52.1	-48.7	-52.1	-82.3	-1.1	111.3	L637 Y638 D705 W706 E707 D713 L714 E717	L637-R709 WeakPolarHBondContact CA-O 3.31Å; Y638-R709 PolarHBondContact N-O 2.75Å; D705-R709 WeakPolarHBondContact O-CG 3.3Å; W706-R709 VanDerWaalsContact O-CB 3.28Å; W706-R709 WeakPolarHBondContact O-CB 3.4Å; W706-R709 WeakPolarHBondContact O-CG 3.24Å; W706-R709 PolarHBondContact O-N 3.24Å; E707-R709 PolarHBondContact O-N 2.98Å; R709-D713 IonicContact NH2-OD2 2.67Å; R709-L714 HydrophobicContact CB-CD1 4.39Å; R709-L714 HydrophobicContact CB-CD2 3.85Å; R709-L714 HydrophobicContact CB-CG 4.08Å; R709-L714 HydrophobicContact CG-CD2 4.17Å; R709-E717 IonicContact CZ-OE1 3.47Å; R709-E717 IonicContact CZ-OE2 3.99Å; R709-E717 VanDerWaalsContact CZ-OE2 3.31Å; R709-E717 IonicContact NH1-OE1 3.43Å; R709-E717 IonicContact NH1-OE2 2.97Å; R709-E717 PolarHBondContact NH1-OE2 2.96Å; R709-E717 IonicContact NH2-OE1 2.65Å; R709-E717 PolarHBondContact NH2-OE1 3.43Å; R709-E717 IonicContact NH2-OE2 3.53Å; R709-E717 PolarHBondContact NH2-OE2 3.32Å
710	H	85.4	Confident	87.4	Confident	38 Å²	38	60.8 Å²	60.8	18%	0.176	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-95.1	144.6	171.7	-174.2	-118.9	0	0	0	110	G636 L637 R712 D713 L714	G636-H710 PolarHBondContact O-CD2 3.38Å; L637-H710 HydrophobicContact CD2-CB 3.7Å; H710-R712 PolarHBondContact O-N 3.03Å; H710-R712 VanDerWaalsContact O-N 3.07Å; H710-D713 PolarHBondContact N-OD2 3.12Å; H710-D713 WeakPolarHBondContact O-CB 3.46Å; H710-D713 PolarHBondContact O-N 3.19Å; H710-L714 PolarHBondContact O-N 2.81Å
711	H	74.4	Confident	86.9	Confident	13 Å²	13	63.2 Å²	63.2	6%	0.06	31%	0.307	C	S	.	.	H	α-helix	trans	-54.5	-32	-176.7	71.2	-80	0	0	0	114.2	Y638 D713 L714 M715 Y722 V847	Y638-H711 HydrophobicContact CE2-CB 4.21Å; H711-D713 PolarHBondContact O-N 2.96Å; H711-L714 PolarHBondContact O-N 3.21Å; H711-M715 VanDerWaalsContact O-CG 3.31Å; H711-M715 WeakPolarHBondContact O-CG 3.23Å; H711-M715 PolarHBondContact O-N 2.69Å; H711-Y722 HydrophobicContact CB-CE2 3.99Å; H711-V847 WeakPolarHBondContact NE2-CG1 3.35Å
712	R	78.4	Confident	86.4	Confident	126 Å²	126	64 Å²	64	48%	0.475	31%	0.309	S	S	.	.	H	α-helix	trans	-67.5	-24.1	178.2	-60.8	-176.9	-172	163.1	1	113.3	H710 Q716	H710-R712 PolarHBondContact O-N 3.03Å; H710-R712 VanDerWaalsContact O-N 3.07Å; R712-Q716 PolarHBondContact O-NE2 3.4Å
713	D	82.6	Confident	85.8	Confident	53 Å²	53	63.4 Å²	63.4	28%	0.283	31%	0.314	S	S	.	.	H	α-helix	trans	-82	-46.1	177.5	-40.7	-20.4	0	0	0	108.5	R709 H710 H711 M715 Q716 E717	R709-D713 IonicContact NH2-OD2 2.67Å; H710-D713 PolarHBondContact N-OD2 3.12Å; H710-D713 WeakPolarHBondContact O-CB 3.46Å; H710-D713 PolarHBondContact O-N 3.19Å; H711-D713 PolarHBondContact O-N 2.96Å; D713-M715 VanDerWaalsContact C-N 3.28Å; D713-M715 PolarHBondContact O-N 3.42Å; D713-Q716 CarbonylContact O-C 3.46Å; D713-Q716 WeakPolarHBondContact O-CA 3.39Å; D713-Q716 PolarHBondContact O-N 3.49Å; D713-E717 PolarHBondContact O-N 3.05Å
714	L	83.9	Confident	85.5	Confident	4 Å²	4	64.3 Å²	64.3	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-59.3	-36.6	175.9	-60	177	0	0	0	112.4	Y638 W706 R709 H710 H711 Q716 D718 A719 Y722	Y638-L714 HydrophobicContact CD2-CD1 3.77Å; Y638-L714 HydrophobicContact CE2-CD1 3.61Å; W706-L714 HydrophobicContact CB-CD1 4.02Å; W706-L714 HydrophobicContact CB-CD2 4.21Å; W706-L714 HydrophobicContact CD2-CD1 3.63Å; W706-L714 HydrophobicContact CD2-CD2 4.17Å; W706-L714 HydrophobicContact CD2-CG 4.49Å; W706-L714 HydrophobicContact CE3-CD1 3.76Å; W706-L714 HydrophobicContact CG-CD1 3.76Å; W706-L714 HydrophobicContact CG-CD2 3.71Å; W706-L714 HydrophobicContact CG-CG 4.4Å; W706-L714 HydrophobicContact CZ3-CD1 4.47Å; R709-L714 HydrophobicContact CB-CD1 4.39Å; R709-L714 HydrophobicContact CB-CD2 3.85Å; R709-L714 HydrophobicContact CB-CG 4.08Å; R709-L714 HydrophobicContact CG-CD2 4.17Å; H710-L714 PolarHBondContact O-N 2.81Å; H711-L714 PolarHBondContact O-N 3.21Å; L714-Q716 PolarHBondContact O-N 3.29Å; L714-D718 CarbonylContact O-C 3.48Å; L714-D718 PolarHBondContact O-N 2.92Å; L714-A719 PolarHBondContact O-N 3.26Å; L714-Y722 HydrophobicContact CB-CD2 3.62Å; L714-Y722 HydrophobicContact CB-CE2 4.3Å; L714-Y722 HydrophobicContact CB-CG 4.08Å; L714-Y722 HydrophobicContact CD1-CD2 4.08Å; L714-Y722 HydrophobicContact CD1-CE2 4.43Å
715	M	81.4	Confident	85.1	Confident	100 Å²	100	65.1 Å²	65.1	49%	0.493	33%	0.326	S	S	.	.	H	α-helix	trans	-60	-11.2	171.1	-77.8	-175.8	71.8	0	0	114.9	H711 D713 A719 Y722	H711-M715 VanDerWaalsContact O-CG 3.31Å; H711-M715 WeakPolarHBondContact O-CG 3.23Å; H711-M715 PolarHBondContact O-N 2.69Å; D713-M715 VanDerWaalsContact C-N 3.28Å; D713-M715 PolarHBondContact O-N 3.42Å; M715-A719 WeakPolarHBondContact O-CB 3.46Å; M715-Y722 HydrophobicContact CG-CD1 3.54Å; M715-Y722 HydrophobicContact CG-CE1 3.35Å; M715-Y722 HydrophobicContact CG-CG 4.4Å; M715-Y722 HydrophobicContact SD-CE1 4.16Å
716	Q	81.1	Confident	84.4	Confident	161 Å²	161	64.4 Å²	64.4	75%	0.752	33%	0.328	S	S	*	.	H	α-helix	trans	-118.7	-40.3	178.9	-66.2	174.4	74.4	0	0	112.3	R712 D713 L714	R712-Q716 PolarHBondContact O-NE2 3.4Å; D713-Q716 CarbonylContact O-C 3.46Å; D713-Q716 WeakPolarHBondContact O-CA 3.39Å; D713-Q716 PolarHBondContact O-N 3.49Å; L714-Q716 PolarHBondContact O-N 3.29Å
717	E	86.5	Confident	83.7	Confident	125 Å²	125	70.5 Å²	70.5	58%	0.584	36%	0.361	S	S	*	.	H	α-helix	trans	-88.7	-33.8	-174.1	-66.9	177.3	-144.1	0	0	113.6	R709 D713	R709-E717 IonicContact CZ-OE1 3.47Å; R709-E717 IonicContact CZ-OE2 3.99Å; R709-E717 VanDerWaalsContact CZ-OE2 3.31Å; R709-E717 IonicContact NH1-OE1 3.43Å; R709-E717 IonicContact NH1-OE2 2.97Å; R709-E717 PolarHBondContact NH1-OE2 2.96Å; R709-E717 IonicContact NH2-OE1 2.65Å; R709-E717 PolarHBondContact NH2-OE1 3.43Å; R709-E717 IonicContact NH2-OE2 3.53Å; R709-E717 PolarHBondContact NH2-OE2 3.32Å; D713-E717 PolarHBondContact O-N 3.05Å
718	D	84	Confident	83.4	Confident	32 Å²	32	72.5 Å²	72.5	17%	0.171	37%	0.372	C	S	.	.	S	Bend	trans	-133.2	41.8	-178.6	-161	3.4	0	0	0	110.7	W706 L714 E720 N721 Y722 T735	W706-D718 PolarHBondContact NE1-OD2 3.27Å; L714-D718 CarbonylContact O-C 3.48Å; L714-D718 PolarHBondContact O-N 2.92Å; D718-E720 PolarHBondContact O-N 3.39Å; D718-E720 VanDerWaalsContact O-N 3.14Å; D718-N721 PolarHBondContact O-N 3.38Å; D718-N721 WeakPolarHBondContact OD1-CB 3.43Å; D718-N721 PolarHBondContact OD1-ND2 3.48Å; D718-Y722 WeakPolarHBondContact O-CB 3.48Å; D718-Y722 PolarHBondContact O-N 2.9Å; D718-T735 PolarHBondContact OD2-OG1 2.83Å
719	A	83.2	Confident	83	Confident	49 Å²	49	71 Å²	71	41%	0.405	36%	0.362	S	S	.	.	H	α-helix	trans	-61.2	-27.3	-165.8	0	0	0	0	0	114.1	L714 M715 S723	L714-A719 PolarHBondContact O-N 3.26Å; M715-A719 WeakPolarHBondContact O-CB 3.46Å; A719-S723 WeakPolarHBondContact O-CB 3.34Å; A719-S723 PolarHBondContact O-N 3.13Å
720	E	85.4	Confident	82.8	Confident	167 Å²	167	70.2 Å²	70.2	78%	0.78	36%	0.361	S	S	*	.	H	α-helix	trans	-73.1	-50.7	177.5	-171.6	167.2	-169.9	0	0	111.3	D718 S723 A724	D718-E720 PolarHBondContact O-N 3.39Å; D718-E720 VanDerWaalsContact O-N 3.14Å; E720-S723 PolarHBondContact O-N 3.05Å; E720-A724 PolarHBondContact O-N 2.77Å
721	N	84.7	Confident	82.9	Confident	67 Å²	67	74 Å²	74	36%	0.358	38%	0.379	S	S	.	.	H	α-helix	trans	-69.7	-35.5	176.8	-64.7	-59	0	0	0	112	W706 D718 A724 W725 T735	W706-N721 HydrophobicContact CZ2-CB 3.99Å; D718-N721 PolarHBondContact O-N 3.38Å; D718-N721 WeakPolarHBondContact OD1-CB 3.43Å; D718-N721 PolarHBondContact OD1-ND2 3.48Å; N721-A724 PolarHBondContact O-N 3.02Å; N721-W725 WeakPolarHBondContact O-CB 3.41Å; N721-W725 PolarHBondContact O-N 2.72Å; N721-T735 PolarHBondContact ND2-OG1 2.91Å
722	Y	84.3	Confident	83.4	Confident	28 Å²	28	74.1 Å²	74.1	11%	0.11	38%	0.382	C	S	.	.	H	α-helix	trans	-64.4	-40.6	173.4	-173.7	-90.7	0	0	0	111.8	W706 H711 L714 M715 D718 W725 C726	W706-Y722 HydrophobicContact CH2-CD2 4.19Å; W706-Y722 HydrophobicContact CZ3-CD2 4.32Å; H711-Y722 HydrophobicContact CB-CE2 3.99Å; L714-Y722 HydrophobicContact CB-CD2 3.62Å; L714-Y722 HydrophobicContact CB-CE2 4.3Å; L714-Y722 HydrophobicContact CB-CG 4.08Å; L714-Y722 HydrophobicContact CD1-CD2 4.08Å; L714-Y722 HydrophobicContact CD1-CE2 4.43Å; M715-Y722 HydrophobicContact CG-CD1 3.54Å; M715-Y722 HydrophobicContact CG-CE1 3.35Å; M715-Y722 HydrophobicContact CG-CG 4.4Å; M715-Y722 HydrophobicContact SD-CE1 4.16Å; D718-Y722 WeakPolarHBondContact O-CB 3.48Å; D718-Y722 PolarHBondContact O-N 2.9Å; Y722-W725 PolarHBondContact O-N 3.41Å; Y722-C726 WeakPolarHBondContact CE1-SG 3.28Å; Y722-C726 PolarHBondContact O-N 3.03Å; Y722-C726 PolarHBondContact O-SG 3.49Å
723	S	83.5	Confident	84	Confident	61 Å²	61	72.9 Å²	72.9	43%	0.427	38%	0.384	S	S	.	.	H	α-helix	trans	-63.6	-45.3	171.9	-176.2	0	0	0	0	111.5	A719 E720 W725 C726 N727	A719-S723 WeakPolarHBondContact O-CB 3.34Å; A719-S723 PolarHBondContact O-N 3.13Å; E720-S723 PolarHBondContact O-N 3.05Å; S723-W725 VanDerWaalsContact C-N 3.33Å; S723-W725 PolarHBondContact O-N 3.06Å; S723-C726 PolarHBondContact O-N 2.78Å; S723-N727 PolarHBondContact O-N 2.91Å; S723-N727 VanDerWaalsContact O-N 3.12Å; S723-N727 PolarHBondContact O-ND2 2.84Å; S723-N727 PolarHBondContact OG-ND2 3.24Å
724	A	85.2	Confident	84.2	Confident	44 Å²	44	70.4 Å²	70.4	36%	0.364	37%	0.37	S	S	.	.	H	α-helix	trans	-57.8	-45.3	175.9	0	0	0	0	0	111.7	E720 N721 N727 D728 A732	E720-A724 PolarHBondContact O-N 2.77Å; N721-A724 PolarHBondContact O-N 3.02Å; A724-N727 PolarHBondContact O-N 3.31Å; A724-D728 PolarHBondContact O-N 2.98Å; A724-A732 HydrophobicContact CB-CB 4.36Å
725	W	84.4	Confident	84.4	Confident	27 Å²	27	72.2 Å²	72.2	10%	0.102	38%	0.382	C	S	.	.	H	α-helix	trans	-62	-42.1	175.6	179.9	-91.6	0	0	0	113.3	M701 W706 N721 Y722 S723 N727 W729 A732 P734	M701-W725 HydrophobicContact CE-CH2 3.55Å; M701-W725 HydrophobicContact CE-CZ3 3.84Å; M701-W725 HydrophobicContact SD-CH2 4.04Å; W706-W725 HydrophobicContact CH2-CB 3.67Å; W706-W725 AromaticContact CH2-CG 3.94Å; W706-W725 HydrophobicContact CH2-CG 3.94Å; W706-W725 HydrophobicContact CZ3-CB 4.12Å; W706-W725 HydrophobicContact CZ3-CD2 4.22Å; W706-W725 AromaticContact CZ3-CG 3.85Å; W706-W725 HydrophobicContact CZ3-CG 3.85Å; N721-W725 WeakPolarHBondContact O-CB 3.41Å; N721-W725 PolarHBondContact O-N 2.72Å; Y722-W725 PolarHBondContact O-N 3.41Å; S723-W725 VanDerWaalsContact C-N 3.33Å; S723-W725 PolarHBondContact O-N 3.06Å; W725-N727 PolarHBondContact O-N 3.37Å; W725-W729 HydrophobicContact CD2-CB 3.98Å; W725-W729 HydrophobicContact CE3-CB 4.22Å; W725-W729 HydrophobicContact CH2-CB 4.12Å; W725-W729 HydrophobicContact CZ2-CB 3.92Å; W725-W729 HydrophobicContact CZ3-CB 4.28Å; W725-W729 VanDerWaalsContact CZ3-O 3.32Å; W725-W729 WeakPolarHBondContact CZ3-O 3.45Å; W725-W729 WeakPolarHBondContact O-CA 3.49Å; W725-W729 WeakPolarHBondContact O-CB 3.44Å; W725-W729 PolarHBondContact O-N 2.92Å; W725-W729 VanDerWaalsContact O-N 3.09Å; W725-A732 HydrophobicContact CB-CB 4.17Å; W725-A732 HydrophobicContact CE3-CB 4.02Å; W725-P734 HydrophobicContact CE3-CG 4.3Å; W725-P734 HydrophobicContact CZ3-CG 4.28Å
726	C	77.9	Confident	84.8	Confident	76 Å²	76	73.2 Å²	73.2	51%	0.514	39%	0.389	S	S	.	.	H	α-helix	trans	-66	-23.8	175.5	-76.4	0	0	0	0	114	Y722 S723	Y722-C726 WeakPolarHBondContact CE1-SG 3.28Å; Y722-C726 PolarHBondContact O-N 3.03Å; Y722-C726 PolarHBondContact O-SG 3.49Å; S723-C726 PolarHBondContact O-N 2.78Å
727	N	78.3	Confident	85.4	Confident	131 Å²	131	66.5 Å²	66.5	70%	0.701	36%	0.363	S	S	*	.	H	α-helix	trans	-92.9	-39.3	178.9	-69.7	-64.7	0	0	0	112.9	S723 A724 W725	S723-N727 PolarHBondContact O-N 2.91Å; S723-N727 VanDerWaalsContact O-N 3.12Å; S723-N727 PolarHBondContact O-ND2 2.84Å; S723-N727 PolarHBondContact OG-ND2 3.24Å; A724-N727 PolarHBondContact O-N 3.31Å; W725-N727 PolarHBondContact O-N 3.37Å
728	D	84.4	Confident	85.7	Confident	68 Å²	68	62 Å²	62	36%	0.364	34%	0.342	S	S	.	.			trans	-147.8	73.5	-178.9	-172.9	-7.5	0	0	0	111.2	A724 Q730 H731 A732	A724-D728 PolarHBondContact O-N 2.98Å; D728-Q730 PolarHBondContact O-N 3.21Å; D728-Q730 VanDerWaalsContact O-N 3.13Å; D728-Q730 PolarHBondContact OD1-N 2.94Å; D728-H731 VanDerWaalsContact CG-ND1 3.26Å; D728-H731 PolarHBondContact O-N 2.93Å; D728-H731 IonicContact OD1-CE1 3.85Å; D728-H731 IonicContact OD1-CG 3.72Å; D728-H731 PolarHBondContact OD1-N 3.09Å; D728-H731 VanDerWaalsContact OD1-N 3.14Å; D728-H731 IonicContact OD1-ND1 3.8Å; D728-H731 PolarHBondContact OD1-ND1 3.15Å; D728-H731 IonicContact OD2-CE1 2.86Å; D728-H731 IonicContact OD2-CG 3.75Å; D728-H731 IonicContact OD2-ND1 3.23Å; D728-H731 PolarHBondContact OD2-ND1 3.11Å; D728-A732 WeakPolarHBondContact O-CB 3.43Å; D728-A732 PolarHBondContact O-N 2.79Å
729	W	83.8	Confident	86	Confident	51 Å²	51	61 Å²	61	19%	0.193	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-12.8	174.9	67.8	-84.4	0	0	0	114.2	W725 F740 E785 M787 W788	W725-W729 HydrophobicContact CD2-CB 3.98Å; W725-W729 HydrophobicContact CE3-CB 4.22Å; W725-W729 HydrophobicContact CH2-CB 4.12Å; W725-W729 HydrophobicContact CZ2-CB 3.92Å; W725-W729 HydrophobicContact CZ3-CB 4.28Å; W725-W729 VanDerWaalsContact CZ3-O 3.32Å; W725-W729 WeakPolarHBondContact CZ3-O 3.45Å; W725-W729 WeakPolarHBondContact O-CA 3.49Å; W725-W729 WeakPolarHBondContact O-CB 3.44Å; W725-W729 PolarHBondContact O-N 2.92Å; W725-W729 VanDerWaalsContact O-N 3.09Å; W729-F740 HydrophobicContact CE3-CB 4.32Å; W729-F740 HydrophobicContact CE3-CD1 4.16Å; W729-F740 HydrophobicContact CE3-CD2 4.32Å; W729-F740 AromaticContact CE3-CG 3.99Å; W729-F740 HydrophobicContact CE3-CG 3.99Å; W729-F740 AromaticContact CH2-CD1 3.97Å; W729-F740 HydrophobicContact CH2-CD1 3.97Å; W729-F740 HydrophobicContact CH2-CD2 4.49Å; W729-F740 AromaticContact CH2-CE1 3.6Å; W729-F740 HydrophobicContact CH2-CE1 3.6Å; W729-F740 HydrophobicContact CH2-CE2 4.2Å; W729-F740 HydrophobicContact CH2-CG 4.38Å; W729-F740 AromaticContact CH2-CZ 3.73Å; W729-F740 HydrophobicContact CH2-CZ 3.73Å; W729-F740 HydrophobicContact CZ3-CB 4.31Å; W729-F740 AromaticContact CZ3-CD1 3.51Å; W729-F740 HydrophobicContact CZ3-CD1 3.51Å; W729-F740 AromaticContact CZ3-CD2 3.59Å; W729-F740 HydrophobicContact CZ3-CD2 3.59Å; W729-F740 AromaticContact CZ3-CE1 3.57Å; W729-F740 HydrophobicContact CZ3-CE1 3.57Å; W729-F740 AromaticContact CZ3-CE2 3.68Å; W729-F740 HydrophobicContact CZ3-CE2 3.68Å; W729-F740 AromaticContact CZ3-CG 3.51Å; W729-F740 HydrophobicContact CZ3-CG 3.51Å; W729-F740 AromaticContact CZ3-CZ 3.64Å; W729-F740 HydrophobicContact CZ3-CZ 3.64Å; W729-E785 HydrophobicContact CH2-CB 4.38Å; W729-E785 HydrophobicContact CZ2-CB 4.1Å; W729-M787 HydrophobicContact CH2-SD 4.4Å; W729-M787 HydrophobicContact CZ3-SD 4.28Å; W729-W788 HydrophobicContact CD2-CZ2 4.15Å; W729-W788 AromaticContact CD2-NE1 3.92Å; W729-W788 AromaticContact CE2-NE1 3.41Å; W729-W788 AromaticContact CE3-CZ2 3.81Å; W729-W788 HydrophobicContact CE3-CZ2 3.81Å; W729-W788 AromaticContact CE3-NE1 4Å; W729-W788 AromaticContact CH2-CE2 3.99Å; W729-W788 HydrophobicContact CH2-CZ2 4.3Å; W729-W788 AromaticContact CH2-NE1 3.13Å; W729-W788 AromaticContact CZ2-CD1 3.78Å; W729-W788 AromaticContact CZ2-NE1 3.03Å; W729-W788 AromaticContact CZ3-CZ2 3.86Å; W729-W788 HydrophobicContact CZ3-CZ2 3.86Å; W729-W788 AromaticContact CZ3-NE1 3.61Å
730	Q	85.6	Confident	86.5	Confident	54 Å²	54	59 Å²	59	25%	0.252	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-32.7	178.1	-60.6	-161.7	45.2	0	0	112.2	D728 F740 E785	D728-Q730 PolarHBondContact O-N 3.21Å; D728-Q730 VanDerWaalsContact O-N 3.13Å; D728-Q730 PolarHBondContact OD1-N 2.94Å; Q730-F740 HydrophobicContact CB-CD1 4.23Å; Q730-F740 HydrophobicContact CG-CD1 4.19Å; Q730-F740 HydrophobicContact CG-CE1 4.48Å; Q730-E785 PolarHBondContact NE2-OE2 3.35Å
731	H	88.6	Confident	86.8	Confident	117 Å²	117	56 Å²	56	54%	0.542	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-23.2	-178.4	-57.2	92.7	0	0	0	113.8	D728 Q741	D728-H731 VanDerWaalsContact CG-ND1 3.26Å; D728-H731 PolarHBondContact O-N 2.93Å; D728-H731 IonicContact OD1-CE1 3.85Å; D728-H731 IonicContact OD1-CG 3.72Å; D728-H731 PolarHBondContact OD1-N 3.09Å; D728-H731 VanDerWaalsContact OD1-N 3.14Å; D728-H731 IonicContact OD1-ND1 3.8Å; D728-H731 PolarHBondContact OD1-ND1 3.15Å; D728-H731 IonicContact OD2-CE1 2.86Å; D728-H731 IonicContact OD2-CG 3.75Å; D728-H731 IonicContact OD2-ND1 3.23Å; D728-H731 PolarHBondContact OD2-ND1 3.11Å; H731-Q741 PolarHBondContact CD2-NE2 3.36Å; H731-Q741 VanDerWaalsContact CD2-NE2 3.26Å
732	A	84.9	Confident	87.3	Confident	16 Å²	16	55 Å²	55	13%	0.132	31%	0.308	C	S	.	.			trans	-66.3	149.1	171	0	0	0	0	0	111.2	A724 W725 D728	A724-A732 HydrophobicContact CB-CB 4.36Å; W725-A732 HydrophobicContact CB-CB 4.17Å; W725-A732 HydrophobicContact CE3-CB 4.02Å; D728-A732 WeakPolarHBondContact O-CB 3.43Å; D728-A732 PolarHBondContact O-N 2.79Å
733	I	90.7	Very high	87.8	Confident	99 Å²	99	53.8 Å²	53.8	51%	0.508	30%	0.303	S	S	.	.			trans	-129.7	124.2	-179.5	-53.1	-174.9	0	0	0	107.6
734	P	87	Confident	88.3	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.006	29%	0.287	C	S	.	.			trans	-56	144.2	172.1	-25.1	35.1	0	0	0	111.3	M701 F703 W706 W725 N736 G737	M701-P734 HydrophobicContact CE-CG 3.98Å; F703-P734 HydrophobicContact CD1-CG 4.17Å; F703-P734 WeakPolarHBondContact O-CB 3.38Å; W706-P734 HydrophobicContact CD2-CB 3.89Å; W706-P734 HydrophobicContact CE3-CB 3.98Å; W706-P734 HydrophobicContact CE3-CG 4.18Å; W706-P734 HydrophobicContact CG-CB 4.24Å; W706-P734 HydrophobicContact CZ3-CB 4.4Å; W706-P734 HydrophobicContact CZ3-CG 4.3Å; W725-P734 HydrophobicContact CE3-CG 4.3Å; W725-P734 HydrophobicContact CZ3-CG 4.28Å; P734-N736 PolarHBondContact O-N 2.88Å; P734-N736 VanDerWaalsContact O-N 3.14Å; P734-G737 PolarHBondContact O-N 3.32Å
735	T	87	Confident	88.8	Confident	42 Å²	42	54.7 Å²	54.7	26%	0.258	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	121	-177.1	-56.4	0	0	0	0	110.6	D705 D718 N721 G737	D705-T735 PolarHBondContact N-O 3.26Å; D705-T735 WeakPolarHBondContact OD2-CG2 3.47Å; D718-T735 PolarHBondContact OD2-OG1 2.83Å; N721-T735 PolarHBondContact ND2-OG1 2.91Å; T735-G737 PolarHBondContact O-N 3.2Å
736	N	91.2	Very high	89.3	Confident	121 Å²	121	54.6 Å²	54.6	65%	0.647	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	13	-172.1	-63.7	-54.3	0	0	0	116.8	F702 D705 P734	F702-N736 VanDerWaalsContact CE1-O 3.28Å; F702-N736 WeakPolarHBondContact CE1-O 3.39Å; D705-N736 PolarHBondContact OD2-ND2 3.13Å; P734-N736 PolarHBondContact O-N 2.88Å; P734-N736 VanDerWaalsContact O-N 3.14Å
737	G	91.7	Very high	90.2	Very high	20 Å²	20	51 Å²	51	21%	0.206	27%	0.27	C	S	.	.	S	Bend	trans	-92.8	-172.9	176.9	0	0	0	0	0	114.5	F702 P734 T735	F702-G737 WeakPolarHBondContact O-CA 3.35Å; P734-G737 PolarHBondContact O-N 3.32Å; T735-G737 PolarHBondContact O-N 3.2Å
738	E	92.9	Very high	91	Very high	32 Å²	32	48 Å²	48	15%	0.15	25%	0.251	C	S	.	.			trans	-92.4	144	165.6	86	-171.2	115.2	0	0	110.7	M701 F702 A742 F743 R746	M701-E738 WeakPolarHBondContact CA-OE1 3.4Å; M701-E738 WeakPolarHBondContact CE-O 3.26Å; M701-E738 HydrophobicContact CG-CG 3.99Å; F702-E738 HydrophobicContact CB-CG 4.37Å; F702-E738 PolarHBondContact N-OE1 2.95Å; F702-E738 PolarHBondContact O-N 3.29Å; E738-A742 HydrophobicContact CB-CB 4.42Å; E738-F743 HydrophobicContact CG-CB 4.15Å; E738-F743 WeakPolarHBondContact OE2-CA 3.46Å; E738-F743 PolarHBondContact OE2-N 3.26Å; E738-R746 IonicContact OE1-CZ 2.87Å; E738-R746 IonicContact OE1-NE 3.61Å; E738-R746 IonicContact OE1-NH2 2.66Å; E738-R746 PolarHBondContact OE1-NH2 3.06Å; E738-R746 IonicContact OE2-CZ 3.66Å; E738-R746 IonicContact OE2-NE 2.62Å; E738-R746 PolarHBondContact OE2-NE 2.93Å; E738-R746 VanDerWaalsContact OE2-NE 3.11Å; E738-R746 IonicContact OE2-NH2 3.77Å
739	G	91.9	Very high	91.6	Very high	9 Å²	9	51.5 Å²	51.5	9%	0.093	26%	0.259	C	S	.	.			trans	-83.1	158.9	174.3	0	0	0	0	0	111.9	Q741 A742 F743	G739-Q741 PolarHBondContact O-N 3.47Å; G739-Q741 VanDerWaalsContact O-N 3.13Å; G739-A742 WeakPolarHBondContact O-CB 3.35Å; G739-A742 PolarHBondContact O-N 2.87Å; G739-F743 PolarHBondContact O-N 3.45Å; G739-F743 VanDerWaalsContact O-N 3.08Å
740	F	92.6	Very high	92.2	Very high	9 Å²	9	49.1 Å²	49.1	4%	0.039	25%	0.251	C	S	.	.	H	α-helix	trans	-54.7	-36.7	-178.6	177	-121.3	0	0	0	113.3	W729 Q730 A742 F743 S744 L774 A784 M787	W729-F740 HydrophobicContact CE3-CB 4.32Å; W729-F740 HydrophobicContact CE3-CD1 4.16Å; W729-F740 HydrophobicContact CE3-CD2 4.32Å; W729-F740 AromaticContact CE3-CG 3.99Å; W729-F740 HydrophobicContact CE3-CG 3.99Å; W729-F740 AromaticContact CH2-CD1 3.97Å; W729-F740 HydrophobicContact CH2-CD1 3.97Å; W729-F740 HydrophobicContact CH2-CD2 4.49Å; W729-F740 AromaticContact CH2-CE1 3.6Å; W729-F740 HydrophobicContact CH2-CE1 3.6Å; W729-F740 HydrophobicContact CH2-CE2 4.2Å; W729-F740 HydrophobicContact CH2-CG 4.38Å; W729-F740 AromaticContact CH2-CZ 3.73Å; W729-F740 HydrophobicContact CH2-CZ 3.73Å; W729-F740 HydrophobicContact CZ3-CB 4.31Å; W729-F740 AromaticContact CZ3-CD1 3.51Å; W729-F740 HydrophobicContact CZ3-CD1 3.51Å; W729-F740 AromaticContact CZ3-CD2 3.59Å; W729-F740 HydrophobicContact CZ3-CD2 3.59Å; W729-F740 AromaticContact CZ3-CE1 3.57Å; W729-F740 HydrophobicContact CZ3-CE1 3.57Å; W729-F740 AromaticContact CZ3-CE2 3.68Å; W729-F740 HydrophobicContact CZ3-CE2 3.68Å; W729-F740 AromaticContact CZ3-CG 3.51Å; W729-F740 HydrophobicContact CZ3-CG 3.51Å; W729-F740 AromaticContact CZ3-CZ 3.64Å; W729-F740 HydrophobicContact CZ3-CZ 3.64Å; Q730-F740 HydrophobicContact CB-CD1 4.23Å; Q730-F740 HydrophobicContact CG-CD1 4.19Å; Q730-F740 HydrophobicContact CG-CE1 4.48Å; F740-A742 PolarHBondContact O-N 3.18Å; F740-F743 HydrophobicContact CD2-CD1 4.01Å; F740-F743 HydrophobicContact CE2-CD1 4.13Å; F740-F743 PolarHBondContact O-N 3.02Å; F740-S744 WeakPolarHBondContact O-CB 3.3Å; F740-S744 PolarHBondContact O-N 3.46Å; F740-L774 HydrophobicContact CE2-CD2 4.2Å; F740-L774 HydrophobicContact CZ-CD1 4.46Å; F740-A784 HydrophobicContact CE1-CB 4.05Å; F740-A784 HydrophobicContact CZ-CB 3.77Å; F740-M787 HydrophobicContact CD2-SD 4.4Å; F740-M787 HydrophobicContact CE2-SD 3.46Å; F740-M787 WeakPolarHBondContact CE2-SD 3.49Å; F740-M787 HydrophobicContact CZ-SD 3.91Å
741	Q	92.6	Very high	92.6	Very high	103 Å²	103	48.3 Å²	48.3	48%	0.481	25%	0.248	S	C	.	.	H	α-helix	trans	-61.5	-39.7	175.9	-60.1	-173.4	1.2	0	0	113	H731 G739 Q745	H731-Q741 PolarHBondContact CD2-NE2 3.36Å; H731-Q741 VanDerWaalsContact CD2-NE2 3.26Å; G739-Q741 PolarHBondContact O-N 3.47Å; G739-Q741 VanDerWaalsContact O-N 3.13Å; Q741-Q745 WeakPolarHBondContact O-CB 3.33Å; Q741-Q745 WeakPolarHBondContact O-CG 3.35Å; Q741-Q745 PolarHBondContact O-N 3.14Å
742	A	94	Very high	92.8	Very high	45 Å²	45	46 Å²	46	37%	0.372	25%	0.248	S	C	.	.	H	α-helix	trans	-71.5	-41.6	178.5	0	0	0	0	0	111.4	E738 G739 F740 Q745 R746	E738-A742 HydrophobicContact CB-CB 4.42Å; G739-A742 WeakPolarHBondContact O-CB 3.35Å; G739-A742 PolarHBondContact O-N 2.87Å; F740-A742 PolarHBondContact O-N 3.18Å; A742-Q745 PolarHBondContact O-N 3.22Å; A742-R746 WeakPolarHBondContact O-CB 3.39Å; A742-R746 PolarHBondContact O-N 2.85Å
743	F	95.1	Very high	93.1	Very high	3 Å²	3	48.6 Å²	48.6	1%	0.013	26%	0.255	C	S	.	.	H	α-helix	trans	-59	-47	172.3	176.6	-107.7	0	0	0	111.7	M701 E738 G739 F740 R746 V747 V771 L774 M787	M701-F743 HydrophobicContact CB-CD2 3.64Å; M701-F743 HydrophobicContact CB-CE2 3.8Å; M701-F743 HydrophobicContact CB-CG 4.03Å; M701-F743 HydrophobicContact CB-CZ 4.29Å; M701-F743 HydrophobicContact CG-CB 4.33Å; M701-F743 HydrophobicContact CG-CD2 4.19Å; M701-F743 HydrophobicContact CG-CG 4.21Å; M701-F743 VanDerWaalsContact N-CE2 3.32Å; E738-F743 HydrophobicContact CG-CB 4.15Å; E738-F743 WeakPolarHBondContact OE2-CA 3.46Å; E738-F743 PolarHBondContact OE2-N 3.26Å; G739-F743 PolarHBondContact O-N 3.45Å; G739-F743 VanDerWaalsContact O-N 3.08Å; F740-F743 HydrophobicContact CD2-CD1 4.01Å; F740-F743 HydrophobicContact CE2-CD1 4.13Å; F740-F743 PolarHBondContact O-N 3.02Å; F743-R746 WeakPolarHBondContact O-CA 3.41Å; F743-R746 VanDerWaalsContact O-CB 3.29Å; F743-R746 WeakPolarHBondContact O-CB 3.46Å; F743-R746 PolarHBondContact O-N 3.24Å; F743-V747 HydrophobicContact CE1-CG2 4.41Å; F743-V747 HydrophobicContact CE2-CG2 4.32Å; F743-V747 HydrophobicContact CZ-CG2 4.16Å; F743-V747 PolarHBondContact O-N 3.17Å; F743-V771 HydrophobicContact CE2-CG2 3.79Å; F743-V771 HydrophobicContact CZ-CB 4.49Å; F743-V771 HydrophobicContact CZ-CG2 3.8Å; F743-L774 HydrophobicContact CD1-CD2 4.05Å; F743-L774 HydrophobicContact CE1-CD2 3.89Å; F743-M787 HydrophobicContact CE1-CE 4.5Å
744	S	94.9	Very high	93.1	Very high	12 Å²	12	44.3 Å²	44.3	8%	0.084	23%	0.233	C	C	.	.	H	α-helix	trans	-62.9	-46.5	177.7	-172.9	0	0	0	0	111.7	F740 R746 V747 E748	F740-S744 WeakPolarHBondContact O-CB 3.3Å; F740-S744 PolarHBondContact O-N 3.46Å; S744-R746 PolarHBondContact O-N 3.14Å; S744-R746 VanDerWaalsContact O-N 3.16Å; S744-V747 PolarHBondContact O-N 3.07Å; S744-V747 VanDerWaalsContact O-N 3.16Å; S744-E748 WeakPolarHBondContact O-CB 3.42Å; S744-E748 WeakPolarHBondContact O-CG 3.46Å; S744-E748 PolarHBondContact O-N 3.39Å
745	Q	94.9	Very high	93	Very high	112 Å²	112	47.7 Å²	47.7	52%	0.523	26%	0.257	S	S	.	.	H	α-helix	trans	-61.8	-22.1	174	-71.5	169.8	22.6	0	0	113.3	Q741 A742 R749	Q741-Q745 WeakPolarHBondContact O-CB 3.33Å; Q741-Q745 WeakPolarHBondContact O-CG 3.35Å; Q741-Q745 PolarHBondContact O-N 3.14Å; A742-Q745 PolarHBondContact O-N 3.22Å; Q745-R749 VanDerWaalsContact O-CG 3.31Å; Q745-R749 WeakPolarHBondContact O-CG 3.21Å; Q745-R749 PolarHBondContact O-N 3.46Å; Q745-R749 PolarHBondContact O-NE 2.83Å
746	R	95.7	Very high	93.1	Very high	26 Å²	26	50.5 Å²	50.5	10%	0.098	27%	0.267	C	S	.	.	H	α-helix	trans	-76.9	-45.3	173.7	-173.9	163.2	60.2	83.1	-22.8	111.3	E697 N699 E700 E738 A742 F743 S744 R749 F750	E697-R746 HydrophobicContact CB-CG 4.21Å; E697-R746 HydrophobicContact CG-CG 4.46Å; E697-R746 PolarHBondContact O-NH1 3.23Å; N699-R746 PolarHBondContact O-NH1 2.96Å; N699-R746 PolarHBondContact O-NH2 2.91Å; E700-R746 PolarHBondContact O-NH2 3.11Å; E738-R746 IonicContact OE1-CZ 2.87Å; E738-R746 IonicContact OE1-NE 3.61Å; E738-R746 IonicContact OE1-NH2 2.66Å; E738-R746 PolarHBondContact OE1-NH2 3.06Å; E738-R746 IonicContact OE2-CZ 3.66Å; E738-R746 IonicContact OE2-NE 2.62Å; E738-R746 PolarHBondContact OE2-NE 2.93Å; E738-R746 VanDerWaalsContact OE2-NE 3.11Å; E738-R746 IonicContact OE2-NH2 3.77Å; A742-R746 WeakPolarHBondContact O-CB 3.39Å; A742-R746 PolarHBondContact O-N 2.85Å; F743-R746 WeakPolarHBondContact O-CA 3.41Å; F743-R746 VanDerWaalsContact O-CB 3.29Å; F743-R746 WeakPolarHBondContact O-CB 3.46Å; F743-R746 PolarHBondContact O-N 3.24Å; S744-R746 PolarHBondContact O-N 3.14Å; S744-R746 VanDerWaalsContact O-N 3.16Å; R746-R749 PolarHBondContact O-N 2.87Å; R746-F750 PolarHBondContact O-N 3.4Å
747	V	96.5	Very high	92.9	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-69	-38.5	175	-178.5	0	0	0	0	112.1	F743 S744 R749 F750 I751 V771 L774 L775	F743-V747 HydrophobicContact CE1-CG2 4.41Å; F743-V747 HydrophobicContact CE2-CG2 4.32Å; F743-V747 HydrophobicContact CZ-CG2 4.16Å; F743-V747 PolarHBondContact O-N 3.17Å; S744-V747 PolarHBondContact O-N 3.07Å; S744-V747 VanDerWaalsContact O-N 3.16Å; V747-R749 VanDerWaalsContact C-N 3.34Å; V747-R749 PolarHBondContact O-N 3.14Å; V747-F750 WeakPolarHBondContact O-CB 3.45Å; V747-F750 PolarHBondContact O-N 2.98Å; V747-F750 VanDerWaalsContact O-N 3.11Å; V747-I751 HydrophobicContact CG1-CD1 4.31Å; V747-I751 WeakPolarHBondContact O-CG1 3.47Å; V747-I751 PolarHBondContact O-N 3.31Å; V747-V771 HydrophobicContact CG2-CG1 4.23Å; V747-L774 HydrophobicContact CB-CD2 4.02Å; V747-L774 HydrophobicContact CB-CG 4.47Å; V747-L774 HydrophobicContact CG1-CD2 4.38Å; V747-L774 HydrophobicContact CG1-CG 4.3Å; V747-L774 HydrophobicContact CG2-CD2 4.11Å; V747-L775 HydrophobicContact CG1-CB 4.31Å
748	E	95.1	Very high	92.1	Very high	67 Å²	67	49.9 Å²	49.9	31%	0.313	25%	0.254	S	S	.	.	H	α-helix	trans	-66.1	-33.7	176.7	-72.3	-173.3	149.4	0	0	112.9	S744 F750 I751 A752 R778	S744-E748 WeakPolarHBondContact O-CB 3.42Å; S744-E748 WeakPolarHBondContact O-CG 3.46Å; S744-E748 PolarHBondContact O-N 3.39Å; E748-F750 VanDerWaalsContact C-N 3.34Å; E748-I751 PolarHBondContact O-N 3.39Å; E748-A752 PolarHBondContact O-N 3.2Å; E748-R778 IonicContact OE1-CZ 2.67Å; E748-R778 IonicContact OE1-NE 2.65Å; E748-R778 PolarHBondContact OE1-NE 3.28Å; E748-R778 IonicContact OE1-NH2 2.67Å; E748-R778 PolarHBondContact OE1-NH2 2.84Å
749	R	96.1	Very high	91.3	Very high	141 Å²	141	56 Å²	56	53%	0.532	28%	0.282	S	S	.	.	H	α-helix	trans	-62.2	-41	169.7	-82.5	178.2	-70.1	156.9	-3.2	111.7	Q745 R746 V747 A752 R753	Q745-R749 VanDerWaalsContact O-CG 3.31Å; Q745-R749 WeakPolarHBondContact O-CG 3.21Å; Q745-R749 PolarHBondContact O-N 3.46Å; Q745-R749 PolarHBondContact O-NE 2.83Å; R746-R749 PolarHBondContact O-N 2.87Å; V747-R749 VanDerWaalsContact C-N 3.34Å; V747-R749 PolarHBondContact O-N 3.14Å; R749-A752 PolarHBondContact O-N 2.99Å; R749-R753 VanDerWaalsContact O-CG 3.32Å; R749-R753 WeakPolarHBondContact O-CG 3.5Å; R749-R753 PolarHBondContact O-N 2.71Å
750	F	96.6	Very high	90.8	Very high	1 Å²	1	59.5 Å²	59.5	0%	0.004	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-43.1	173	174.6	-101.3	0	0	0	112.2	L670 I695 E697 L698 R746 V747 E748 A752 R753 L754 I765 L775	L670-F750 HydrophobicContact CD1-CE2 3.9Å; L670-F750 HydrophobicContact CD1-CZ 3.72Å; I695-F750 HydrophobicContact CG2-CD2 3.77Å; I695-F750 HydrophobicContact CG2-CE2 4.11Å; E697-F750 HydrophobicContact CB-CB 3.88Å; L698-F750 HydrophobicContact CD1-CE2 4.01Å; L698-F750 HydrophobicContact CD1-CZ 4.11Å; L698-F750 HydrophobicContact CD2-CD1 3.77Å; L698-F750 HydrophobicContact CD2-CD2 4.12Å; L698-F750 HydrophobicContact CD2-CE1 3.77Å; L698-F750 HydrophobicContact CD2-CE2 4.09Å; L698-F750 HydrophobicContact CD2-CG 3.95Å; L698-F750 HydrophobicContact CD2-CZ 3.92Å; L698-F750 HydrophobicContact CG-CD2 4.13Å; L698-F750 HydrophobicContact CG-CE2 4.06Å; L698-F750 HydrophobicContact CG-CG 4.42Å; L698-F750 HydrophobicContact CG-CZ 4.3Å; R746-F750 PolarHBondContact O-N 3.4Å; V747-F750 WeakPolarHBondContact O-CB 3.45Å; V747-F750 PolarHBondContact O-N 2.98Å; V747-F750 VanDerWaalsContact O-N 3.11Å; E748-F750 VanDerWaalsContact C-N 3.34Å; F750-A752 PolarHBondContact O-N 2.95Å; F750-R753 CarbonylContact O-C 3.53Å; F750-R753 WeakPolarHBondContact O-CA 3.39Å; F750-R753 WeakPolarHBondContact O-CB 3.38Å; F750-R753 PolarHBondContact O-N 3.25Å; F750-L754 HydrophobicContact CE1-CD2 3.9Å; F750-L754 HydrophobicContact CE1-CG 4.38Å; F750-L754 HydrophobicContact CZ-CD2 3.87Å; F750-L754 PolarHBondContact O-N 2.95Å; F750-I765 HydrophobicContact CE1-CD1 3.94Å; F750-I765 HydrophobicContact CZ-CD1 3.89Å; F750-L775 HydrophobicContact CD1-CD1 4.07Å; F750-L775 HydrophobicContact CE1-CD1 4.13Å; F750-L775 HydrophobicContact CE1-CD2 4.23Å
751	I	94.7	Very high	90.1	Very high	38 Å²	38	64 Å²	64	20%	0.195	31%	0.314	C	S	.	.	H	α-helix	trans	-59	-45.3	177.6	-69.7	168.9	0	0	0	111.3	V747 E748 R753 L754 L775 R778 L779	V747-I751 HydrophobicContact CG1-CD1 4.31Å; V747-I751 WeakPolarHBondContact O-CG1 3.47Å; V747-I751 PolarHBondContact O-N 3.31Å; E748-I751 PolarHBondContact O-N 3.39Å; I751-R753 PolarHBondContact O-N 2.98Å; I751-L754 WeakPolarHBondContact O-CB 3.12Å; I751-L754 PolarHBondContact O-N 3.19Å; I751-L754 VanDerWaalsContact O-N 3.09Å; I751-L775 HydrophobicContact CD1-CD1 3.94Å; I751-L775 HydrophobicContact CG1-CD1 3.5Å; I751-R778 HydrophobicContact CD1-CB 3.54Å; I751-R778 HydrophobicContact CD1-CG 4.34Å; I751-L779 HydrophobicContact CD1-CG 4.47Å; I751-L779 HydrophobicContact CG1-CD2 4.43Å; I751-L779 HydrophobicContact CG1-CG 4.48Å; I751-L779 HydrophobicContact CG2-CD2 3.92Å
752	A	92.6	Very high	89.9	Confident	67 Å²	67	60.6 Å²	60.6	55%	0.554	30%	0.3	S	S	*	.	H	α-helix	trans	-58.7	-36.4	175.8	0	0	0	0	0	112.4	E748 R749 F750 L754 S755	E748-A752 PolarHBondContact O-N 3.2Å; R749-A752 PolarHBondContact O-N 2.99Å; F750-A752 PolarHBondContact O-N 2.95Å; A752-L754 VanDerWaalsContact C-N 3.3Å; A752-L754 PolarHBondContact O-N 3.35Å; A752-S755 PolarHBondContact O-OG 3.15Å
753	R	92.3	Very high	89.9	Confident	71 Å²	71	58.4 Å²	58.4	27%	0.268	28%	0.282	S	S	.	.	H	α-helix	trans	-74.9	-8.9	177.9	-66	-176.5	65.3	-147.9	-12.8	114.5	E697 R749 F750 I751 S755 E756 Y757	E697-R753 IonicContact OE1-CZ 2.73Å; E697-R753 IonicContact OE1-NH1 3.56Å; E697-R753 PolarHBondContact OE1-NH1 3.24Å; E697-R753 IonicContact OE2-NH1 3.69Å; R749-R753 VanDerWaalsContact O-CG 3.32Å; R749-R753 WeakPolarHBondContact O-CG 3.5Å; R749-R753 PolarHBondContact O-N 2.71Å; F750-R753 CarbonylContact O-C 3.53Å; F750-R753 WeakPolarHBondContact O-CA 3.39Å; F750-R753 WeakPolarHBondContact O-CB 3.38Å; F750-R753 PolarHBondContact O-N 3.25Å; I751-R753 PolarHBondContact O-N 2.98Å; R753-S755 PolarHBondContact O-N 3.1Å; R753-S755 VanDerWaalsContact O-N 3.13Å; R753-E756 HydrophobicContact CB-CG 4.42Å; R753-E756 VanDerWaalsContact CG-OE1 3.28Å; R753-E756 WeakPolarHBondContact CG-OE1 3.47Å; R753-E756 IonicContact CZ-OE1 3.44Å; R753-E756 IonicContact CZ-OE2 3.97Å; R753-E756 IonicContact NE-OE1 2.67Å; R753-E756 PolarHBondContact NE-OE1 3.33Å; R753-E756 IonicContact NE-OE2 2.63Å; R753-E756 PolarHBondContact NE-OE2 2.77Å; R753-E756 IonicContact NH2-OE1 2.63Å; R753-E756 IonicContact NH2-OE2 2.68Å; R753-E756 PolarHBondContact NH2-OE2 2.84Å; R753-E756 WeakPolarHBondContact O-CB 3.26Å; R753-E756 WeakPolarHBondContact O-CG 3.39Å; R753-E756 PolarHBondContact O-N 3.45Å; R753-Y757 WeakPolarHBondContact O-CD2 3.4Å
754	L	90.8	Very high	90	Very high	10 Å²	10	58.3 Å²	58.3	5%	0.052	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-59.3	-24.4	171.3	-67.8	170.7	0	0	0	112.5	L622 F750 I751 A752 E756 Y757 L779 I802	L622-L754 HydrophobicContact CD1-CD1 3.92Å; L622-L754 HydrophobicContact CD1-CD2 4.08Å; L622-L754 HydrophobicContact CD2-CD2 4.19Å; F750-L754 HydrophobicContact CE1-CD2 3.9Å; F750-L754 HydrophobicContact CE1-CG 4.38Å; F750-L754 HydrophobicContact CZ-CD2 3.87Å; F750-L754 PolarHBondContact O-N 2.95Å; I751-L754 WeakPolarHBondContact O-CB 3.12Å; I751-L754 PolarHBondContact O-N 3.19Å; I751-L754 VanDerWaalsContact O-N 3.09Å; A752-L754 VanDerWaalsContact C-N 3.3Å; A752-L754 PolarHBondContact O-N 3.35Å; L754-E756 PolarHBondContact O-N 2.77Å; L754-Y757 PolarHBondContact O-N 3.41Å; L754-L779 HydrophobicContact CD1-CD1 4.39Å; L754-L779 HydrophobicContact CD1-CD2 3.86Å; L754-I802 HydrophobicContact CD1-CD1 4.2Å
755	S	84.3	Confident	90.1	Very high	72 Å²	72	57.7 Å²	57.7	50%	0.503	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-62.4	-25	171.4	62.1	0	0	0	0	114.3	A752 R753 Y757 Q758	A752-S755 PolarHBondContact O-OG 3.15Å; R753-S755 PolarHBondContact O-N 3.1Å; R753-S755 VanDerWaalsContact O-N 3.13Å; S755-Y757 PolarHBondContact O-N 3.2Å; S755-Q758 WeakPolarHBondContact O-CG 3.37Å; S755-Q758 PolarHBondContact O-NE2 2.99Å
756	E	88.3	Confident	90.3	Very high	101 Å²	101	52.4 Å²	52.4	47%	0.472	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-65.5	-23.9	172.1	-59.3	171.8	-170.9	0	0	111.7	R753 L754	R753-E756 HydrophobicContact CB-CG 4.42Å; R753-E756 VanDerWaalsContact CG-OE1 3.28Å; R753-E756 WeakPolarHBondContact CG-OE1 3.47Å; R753-E756 IonicContact CZ-OE1 3.44Å; R753-E756 IonicContact CZ-OE2 3.97Å; R753-E756 IonicContact NE-OE1 2.67Å; R753-E756 PolarHBondContact NE-OE1 3.33Å; R753-E756 IonicContact NE-OE2 2.63Å; R753-E756 PolarHBondContact NE-OE2 2.77Å; R753-E756 IonicContact NH2-OE1 2.63Å; R753-E756 IonicContact NH2-OE2 2.68Å; R753-E756 PolarHBondContact NH2-OE2 2.84Å; R753-E756 WeakPolarHBondContact O-CB 3.26Å; R753-E756 WeakPolarHBondContact O-CG 3.39Å; R753-E756 PolarHBondContact O-N 3.45Å; L754-E756 PolarHBondContact O-N 2.77Å
757	Y	87.3	Confident	90.4	Very high	14 Å²	14	51.1 Å²	51.1	6%	0.055	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-109.4	8.7	-170.8	-55.9	-69.7	0	0	0	114	L668 L670 H693 R753 L754 S755 H759 Y760	L668-Y757 HydrophobicContact CD2-CD1 3.27Å; L668-Y757 HydrophobicContact CD2-CE1 3.7Å; L668-Y757 HydrophobicContact CD2-CG 4.02Å; L670-Y757 HydrophobicContact CD1-CD2 4.2Å; L670-Y757 HydrophobicContact CD1-CE2 4.19Å; L670-Y757 HydrophobicContact CD2-CE1 4.08Å; L670-Y757 HydrophobicContact CD2-CE2 4.3Å; H693-Y757 AromaticContact CE1-CE1 4Å; H693-Y757 AromaticContact ND1-CE1 3.61Å; R753-Y757 WeakPolarHBondContact O-CD2 3.4Å; L754-Y757 PolarHBondContact O-N 3.41Å; S755-Y757 PolarHBondContact O-N 3.2Å; Y757-H759 PolarHBondContact O-N 3.13Å; Y757-Y760 HydrophobicContact CD1-CD2 4.27Å; Y757-Y760 HydrophobicContact CD1-CE2 4.16Å; Y757-Y760 WeakPolarHBondContact O-CD2 3.43Å; Y757-Y760 PolarHBondContact O-N 3.4Å
758	Q	75.8	Confident	90.5	Very high	114 Å²	114	51.1 Å²	51.1	53%	0.533	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-4.8	-176.8	73.8	-174.5	-74.3	0	0	116.3	M620 S755	M620-Q758 HydrophobicContact CE-CB 4.43Å; S755-Q758 WeakPolarHBondContact O-CG 3.37Å; S755-Q758 PolarHBondContact O-NE2 2.99Å
759	H	75	Confident	90.4	Very high	160 Å²	160	49.9 Å²	49.9	74%	0.741	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94	-6.7	176.9	-54.8	-48.6	0	0	0	113.4	Y757	Y757-H759 PolarHBondContact O-N 3.13Å
760	Y	81.5	Confident	90.3	Very high	83 Å²	83	43.6 Å²	43.6	33%	0.325	22%	0.221	S	C	.	.			trans	-100.1	144.6	176.2	-60.2	-70.9	0	0	0	110.7	D667 L668 Y757	D667-Y760 HydrophobicContact CB-CD1 3.55Å; D667-Y760 HydrophobicContact CB-CE1 4.39Å; D667-Y760 HydrophobicContact CB-CG 4.27Å; L668-Y760 HydrophobicContact CB-CD1 4.29Å; L668-Y760 HydrophobicContact CB-CD2 4.32Å; L668-Y760 HydrophobicContact CB-CE1 4.48Å; L668-Y760 HydrophobicContact CB-CG 4.18Å; L668-Y760 HydrophobicContact CD2-CD2 3.69Å; L668-Y760 HydrophobicContact CD2-CE2 3.74Å; L668-Y760 HydrophobicContact CD2-CG 4.36Å; Y757-Y760 HydrophobicContact CD1-CD2 4.27Å; Y757-Y760 HydrophobicContact CD1-CE2 4.16Å; Y757-Y760 WeakPolarHBondContact O-CD2 3.43Å; Y757-Y760 PolarHBondContact O-N 3.4Å
761	Q	77.9	Confident	90.3	Very high	102 Å²	102	43.6 Å²	43.6	48%	0.477	22%	0.221	S	C	.	.	S	Bend	trans	-97.6	-36.4	-177	-67.4	-171.4	-9.9	0	0	112.7	R621 D667	R621-Q761 WeakPolarHBondContact CB-O 3.14Å; R621-Q761 PolarHBondContact N-O 2.83Å; D667-Q761 WeakPolarHBondContact OD2-CA 3.43Å; D667-Q761 PolarHBondContact OD2-N 3.45Å
762	N	87.7	Confident	90.4	Very high	32 Å²	32	41.8 Å²	41.8	17%	0.171	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	100.7	-179.4	-71	-84	0	0	0	110.3	W623 S665 F666 D667	W623-N762 PolarHBondContact NE1-OD1 3.13Å; S665-N762 VanDerWaalsContact O-CB 3.24Å; S665-N762 WeakPolarHBondContact O-CB 3.48Å; F666-N762 CarbonylContact C-O 3.54Å; F666-N762 WeakPolarHBondContact CA-O 3.47Å; D667-N762 PolarHBondContact N-O 3.45Å; D667-N762 PolarHBondContact OD2-N 3.21Å
763	I	94.6	Very high	90.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	127.3	178.8	-53.2	176.1	0	0	0	108.8	M620 R621 L622 W623 L668 L670 I765	M620-I763 HydrophobicContact CG-CD1 4.06Å; M620-I763 HydrophobicContact SD-CD1 3.87Å; R621-I763 PolarHBondContact O-N 2.8Å; L622-I763 WeakPolarHBondContact CA-O 3.42Å; L622-I763 HydrophobicContact CD2-CB 3.91Å; L622-I763 HydrophobicContact CD2-CD1 4.04Å; L622-I763 HydrophobicContact CD2-CG1 4.42Å; L622-I763 HydrophobicContact CD2-CG2 4.4Å; W623-I763 PolarHBondContact N-O 3.43Å; L668-I763 HydrophobicContact CB-CG1 4.49Å; L668-I763 HydrophobicContact CB-CG2 4.44Å; L668-I763 HydrophobicContact CD2-CG2 4.39Å; L668-I763 HydrophobicContact CG-CG2 4.42Å; L668-I763 WeakPolarHBondContact O-CA 3.34Å; L670-I763 HydrophobicContact CD1-CG2 3.72Å; L670-I763 HydrophobicContact CG-CG2 3.75Å; I763-I765 HydrophobicContact CG2-CG1 4.43Å
764	L	97.1	Very high	90.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	129.2	171.2	-179.2	60.4	0	0	0	110.3	W623 I625 F666 L668 V669 L670 V684 L685 V766	W623-L764 HydrophobicContact CB-CD1 4.08Å; I625-L764 HydrophobicContact CD1-CD1 3.76Å; I625-L764 HydrophobicContact CG1-CD1 4.03Å; F666-L764 HydrophobicContact CD1-CB 3.65Å; F666-L764 HydrophobicContact CE1-CB 3.92Å; F666-L764 HydrophobicContact CE1-CD1 3.98Å; F666-L764 HydrophobicContact CE1-CG 4.38Å; F666-L764 HydrophobicContact CG-CB 4.26Å; F666-L764 HydrophobicContact CZ-CD1 4.38Å; L668-L764 PolarHBondContact O-N 2.74Å; V669-L764 CarbonylContact C-O 3.55Å; V669-L764 WeakPolarHBondContact CA-O 3.5Å; V669-L764 HydrophobicContact CG1-CB 4.24Å; V669-L764 HydrophobicContact CG1-CD2 4.22Å; V669-L764 HydrophobicContact CG1-CG 4.29Å; V669-L764 HydrophobicContact CG2-CB 4.29Å; V669-L764 HydrophobicContact CG2-CD2 4.48Å; L670-L764 PolarHBondContact N-O 3.41Å; V684-L764 HydrophobicContact CG1-CD2 4.25Å; L685-L764 HydrophobicContact CD2-CD2 4.06Å; L764-V766 HydrophobicContact CD1-CG2 4.4Å; L764-V766 HydrophobicContact CD2-CG2 4.09Å; L764-V766 HydrophobicContact CG-CG2 3.92Å
765	I	98.1	Very high	91.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	119.5	174.4	-55.6	-173.4	0	0	0	109.2	L622 W623 L624 I625 L670 L698 F750 I763 L772 L775	L622-I765 HydrophobicContact CB-CD1 4.24Å; L622-I765 HydrophobicContact CD1-CD1 3.86Å; L622-I765 HydrophobicContact CD2-CD1 4.11Å; L622-I765 HydrophobicContact CG-CD1 4.3Å; W623-I765 PolarHBondContact O-N 3.06Å; L624-I765 HydrophobicContact CD2-CB 3.84Å; L624-I765 HydrophobicContact CD2-CD1 3.89Å; L624-I765 HydrophobicContact CD2-CG1 4.14Å; L624-I765 HydrophobicContact CD2-CG2 4.45Å; I625-I765 PolarHBondContact N-O 3.18Å; L670-I765 HydrophobicContact CB-CG1 4.38Å; L670-I765 VanDerWaalsContact O-CA 3.3Å; L670-I765 WeakPolarHBondContact O-CA 3.33Å; L698-I765 HydrophobicContact CD1-CG2 3.91Å; L698-I765 HydrophobicContact CD2-CG2 4.21Å; F750-I765 HydrophobicContact CE1-CD1 3.94Å; F750-I765 HydrophobicContact CZ-CD1 3.89Å; I763-I765 HydrophobicContact CG2-CG1 4.43Å; I765-L772 HydrophobicContact CG2-CD2 4.06Å; I765-L775 HydrophobicContact CD1-CD2 4.01Å
766	V	98.2	Very high	91.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	111.8	177.9	-169.1	0	0	0	0	110.6	I625 L670 C671 S672 A677 T680 A681 L764	I625-V766 HydrophobicContact CB-CG2 4.48Å; I625-V766 HydrophobicContact CG2-CG1 4.44Å; I625-V766 WeakPolarHBondContact O-CA 3.3Å; L670-V766 PolarHBondContact O-N 3.02Å; C671-V766 WeakPolarHBondContact CA-O 3.48Å; S672-V766 PolarHBondContact N-O 2.86Å; S672-V766 VanDerWaalsContact N-O 3.12Å; A677-V766 HydrophobicContact CB-CG1 4.39Å; A677-V766 WeakPolarHBondContact O-CG1 3.28Å; T680-V766 HydrophobicContact CG2-CG1 4.2Å; A681-V766 HydrophobicContact CB-CB 4.16Å; A681-V766 HydrophobicContact CB-CG1 4.22Å; A681-V766 HydrophobicContact CB-CG2 3.96Å; L764-V766 HydrophobicContact CD1-CG2 4.4Å; L764-V766 HydrophobicContact CD2-CG2 4.09Å; L764-V766 HydrophobicContact CG-CG2 3.92Å
767	S	98	Very high	92	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	-145.7	-169.1	-177.3	0	0	0	0	111.2	I625 R626 H627 L698 V771	I625-S767 PolarHBondContact O-N 2.8Å; R626-S767 CarbonylContact C-O 3.59Å; R626-S767 WeakPolarHBondContact CA-O 3.35Å; H627-S767 PolarHBondContact N-O 2.7Å; L698-S767 PolarHBondContact O-OG 3.14Å; S767-V771 WeakPolarHBondContact OG-CB 3.43Å; S767-V771 VanDerWaalsContact OG-CG1 3.3Å; S767-V771 WeakPolarHBondContact OG-CG1 3.19Å
768	H	97.6	Very high	92.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.136	C	C	.	.			trans	-128.2	178.7	-166	-46.2	-86.7	0	0	0	111.6	H627 S672 R676 L698 E700 L772	H627-H768 AromaticContact CD2-CE1 3.98Å; H627-H768 AromaticContact CD2-CG 3.91Å; H627-H768 AromaticContact CD2-ND1 3.1Å; H627-H768 PolarHBondContact CD2-ND1 3.14Å; H627-H768 AromaticContact NE2-ND1 3.61Å; S672-H768 VanDerWaalsContact CB-NE2 3.3Å; S672-H768 WeakPolarHBondContact CB-NE2 3.49Å; S672-H768 PolarHBondContact OG-NE2 3.27Å; R676-H768 PolarHBondContact NE-CE1 2.74Å; R676-H768 PolarHBondContact NE-ND1 3.44Å; R676-H768 VanDerWaalsContact NE-ND1 3.17Å; R676-H768 PolarHBondContact NH2-CE1 2.88Å; R676-H768 PolarHBondContact NH2-ND1 2.85Å; L698-H768 PolarHBondContact O-CD2 2.85Å; L698-H768 VanDerWaalsContact O-CD2 3.31Å; E700-H768 HydrophobicContact CB-CB 3.7Å; E700-H768 VanDerWaalsContact CD-CB 3.47Å; E700-H768 HydrophobicContact CG-CB 3.94Å; E700-H768 PolarHBondContact N-CD2 2.93Å; E700-H768 VanDerWaalsContact N-CD2 3.27Å; E700-H768 WeakPolarHBondContact OE2-CB 3.44Å; H768-L772 WeakPolarHBondContact O-CB 3.32Å; H768-L772 VanDerWaalsContact O-CG 3.23Å; H768-L772 WeakPolarHBondContact O-CG 3.28Å; H768-L772 PolarHBondContact O-N 3.08Å; H768-L772 VanDerWaalsContact O-N 3.17Å
769	Q	93.6	Very high	93.3	Very high	41 Å²	41	25.4 Å²	25.4	19%	0.192	12%	0.116	C	C	.	.	H	α-helix	trans	-61.4	-63	-175.8	170	67.8	14.8	0	0	111	R626 E700 V771 L772 S773 V792	R626-Q769 VanDerWaalsContact NH1-OE1 3.11Å; E700-Q769 PolarHBondContact OE2-N 3.26Å; Q769-V771 VanDerWaalsContact C-N 3.29Å; Q769-V771 PolarHBondContact O-N 3.38Å; Q769-L772 PolarHBondContact O-N 3.15Å; Q769-S773 PolarHBondContact NE2-OG 3.36Å; Q769-S773 VanDerWaalsContact O-CB 3.27Å; Q769-S773 WeakPolarHBondContact O-CB 3.45Å; Q769-S773 PolarHBondContact O-N 2.68Å; Q769-S773 PolarHBondContact O-OG 2.63Å; Q769-V792 PolarHBondContact OE1-O 3.2Å
770	G	93.4	Very high	94.1	Very high	9 Å²	9	20.1 Å²	20.1	9%	0.093	9%	0.093	C	C	.	.	H	α-helix	trans	-60.8	-41.4	-171.3	0	0	0	0	0	111.8	E700 L774 M787	E700-G770 WeakPolarHBondContact OE1-CA 3.47Å; E700-G770 PolarHBondContact OE1-N 3.36Å; E700-G770 PolarHBondContact OE2-N 3.18Å; G770-L774 VanDerWaalsContact O-CB 3.28Å; G770-L774 WeakPolarHBondContact O-CB 3.35Å; G770-L774 PolarHBondContact O-N 2.89Å; G770-M787 WeakPolarHBondContact O-CE 3.29Å
771	V	97.2	Very high	94.6	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	11%	0.109	C	C	.	.	H	α-helix	trans	-63.7	-49.1	-179.8	179.4	0	0	0	0	111.1	L698 N699 E700 F743 V747 S767 Q769 L774 L775	L698-V771 HydrophobicContact CD2-CG1 3.84Å; N699-V771 WeakPolarHBondContact O-CG2 3.27Å; E700-V771 PolarHBondContact OE1-N 2.89Å; F743-V771 HydrophobicContact CE2-CG2 3.79Å; F743-V771 HydrophobicContact CZ-CB 4.49Å; F743-V771 HydrophobicContact CZ-CG2 3.8Å; V747-V771 HydrophobicContact CG2-CG1 4.23Å; S767-V771 WeakPolarHBondContact OG-CB 3.43Å; S767-V771 VanDerWaalsContact OG-CG1 3.3Å; S767-V771 WeakPolarHBondContact OG-CG1 3.19Å; Q769-V771 VanDerWaalsContact C-N 3.29Å; Q769-V771 PolarHBondContact O-N 3.38Å; V771-L774 PolarHBondContact O-N 2.97Å; V771-L775 WeakPolarHBondContact O-CB 3.38Å; V771-L775 PolarHBondContact O-N 3.49Å
772	L	97.8	Very high	95.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-72.3	-39.9	-177.3	-64.4	177.3	0	0	0	111.5	L624 I625 R626 I765 H768 Q769 L774 L775 I776 V792	L624-L772 HydrophobicContact CB-CD1 4.49Å; L624-L772 HydrophobicContact CB-CD2 4.15Å; L624-L772 HydrophobicContact CD1-CD2 4.48Å; L624-L772 HydrophobicContact CD2-CD2 4.2Å; I625-L772 WeakPolarHBondContact O-CD1 3.09Å; R626-L772 HydrophobicContact CB-CD1 4.18Å; I765-L772 HydrophobicContact CG2-CD2 4.06Å; H768-L772 WeakPolarHBondContact O-CB 3.32Å; H768-L772 VanDerWaalsContact O-CG 3.23Å; H768-L772 WeakPolarHBondContact O-CG 3.28Å; H768-L772 PolarHBondContact O-N 3.08Å; H768-L772 VanDerWaalsContact O-N 3.17Å; Q769-L772 PolarHBondContact O-N 3.15Å; L772-L774 VanDerWaalsContact C-N 3.33Å; L772-L774 PolarHBondContact O-N 2.96Å; L772-L775 HydrophobicContact CD2-CD2 4.11Å; L772-L775 PolarHBondContact O-N 2.9Å; L772-I776 WeakPolarHBondContact O-CB 3.43Å; L772-I776 WeakPolarHBondContact O-CD1 3.01Å; L772-I776 WeakPolarHBondContact O-CG1 3.32Å; L772-I776 PolarHBondContact O-N 3.28Å; L772-V792 HydrophobicContact CB-CB 4.44Å; L772-V792 HydrophobicContact CB-CG2 3.87Å; L772-V792 HydrophobicContact CD1-CG1 4.13Å
773	S	96.1	Very high	95.4	Very high	1 Å²	1	19 Å²	19	1%	0.007	11%	0.113	C	C	.	.	H	α-helix	trans	-55.1	-46.8	172.3	-67.8	0	0	0	0	112.2	Q769 A777 M787 F790	Q769-S773 PolarHBondContact NE2-OG 3.36Å; Q769-S773 VanDerWaalsContact O-CB 3.27Å; Q769-S773 WeakPolarHBondContact O-CB 3.45Å; Q769-S773 PolarHBondContact O-N 2.68Å; Q769-S773 PolarHBondContact O-OG 2.63Å; S773-A777 PolarHBondContact O-N 2.79Å; S773-M787 WeakPolarHBondContact CB-O 3.42Å; S773-F790 WeakPolarHBondContact CA-O 3.41Å; S773-F790 WeakPolarHBondContact CB-O 3.35Å; S773-F790 PolarHBondContact OG-O 3.03Å
774	L	96.3	Very high	95.1	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-74	-39.3	179	-176.2	59.9	0	0	0	112.4	F740 F743 V747 G770 V771 L772 I776 A777 R778 A784 M787	F740-L774 HydrophobicContact CE2-CD2 4.2Å; F740-L774 HydrophobicContact CZ-CD1 4.46Å; F743-L774 HydrophobicContact CD1-CD2 4.05Å; F743-L774 HydrophobicContact CE1-CD2 3.89Å; V747-L774 HydrophobicContact CB-CD2 4.02Å; V747-L774 HydrophobicContact CB-CG 4.47Å; V747-L774 HydrophobicContact CG1-CD2 4.38Å; V747-L774 HydrophobicContact CG1-CG 4.3Å; V747-L774 HydrophobicContact CG2-CD2 4.11Å; G770-L774 VanDerWaalsContact O-CB 3.28Å; G770-L774 WeakPolarHBondContact O-CB 3.35Å; G770-L774 PolarHBondContact O-N 2.89Å; V771-L774 PolarHBondContact O-N 2.97Å; L772-L774 VanDerWaalsContact C-N 3.33Å; L772-L774 PolarHBondContact O-N 2.96Å; L774-I776 VanDerWaalsContact C-N 3.32Å; L774-I776 PolarHBondContact O-N 3.09Å; L774-A777 PolarHBondContact O-N 3.45Å; L774-R778 HydrophobicContact CD1-CG 3.71Å; L774-R778 HydrophobicContact CG-CG 4.11Å; L774-R778 WeakPolarHBondContact O-CG 3.18Å; L774-R778 PolarHBondContact O-N 2.67Å; L774-A784 HydrophobicContact CD1-CB 3.76Å; L774-A784 WeakPolarHBondContact CD1-O 3.38Å; L774-M787 HydrophobicContact CB-CB 4.15Å; L774-M787 HydrophobicContact CB-CE 4.44Å; L774-M787 HydrophobicContact CB-SD 4.35Å; L774-M787 HydrophobicContact CD1-CB 4.21Å
775	L	96.8	Very high	94.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.4	-44.6	174.9	179	62.7	0	0	0	111.2	L624 V747 F750 I751 I765 V771 L772 L779	L624-L775 HydrophobicContact CD2-CD2 4.01Å; V747-L775 HydrophobicContact CG1-CB 4.31Å; F750-L775 HydrophobicContact CD1-CD1 4.07Å; F750-L775 HydrophobicContact CE1-CD1 4.13Å; F750-L775 HydrophobicContact CE1-CD2 4.23Å; I751-L775 HydrophobicContact CD1-CD1 3.94Å; I751-L775 HydrophobicContact CG1-CD1 3.5Å; I765-L775 HydrophobicContact CD1-CD2 4.01Å; V771-L775 WeakPolarHBondContact O-CB 3.38Å; V771-L775 PolarHBondContact O-N 3.49Å; L772-L775 HydrophobicContact CD2-CD2 4.11Å; L772-L775 PolarHBondContact O-N 2.9Å; L775-L779 HydrophobicContact CD1-CD1 3.64Å; L775-L779 HydrophobicContact CD1-CG 4.08Å; L775-L779 HydrophobicContact CG-CD1 3.88Å; L775-L779 VanDerWaalsContact O-CB 3.27Å; L775-L779 WeakPolarHBondContact O-CB 3.34Å; L775-L779 WeakPolarHBondContact O-CD1 3.42Å; L775-L779 WeakPolarHBondContact O-CG 3.44Å; L775-L779 PolarHBondContact O-N 3.48Å; L775-L779 VanDerWaalsContact O-N 3.11Å
776	I	96.9	Very high	94.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.1	-56.4	174.1	-66.7	157.8	0	0	0	110.1	L624 L772 L774 R778 L779 I780 F790 V792 I800 L809 L812	L624-I776 HydrophobicContact CD1-CD1 4.08Å; L624-I776 HydrophobicContact CD1-CG1 3.63Å; L772-I776 WeakPolarHBondContact O-CB 3.43Å; L772-I776 WeakPolarHBondContact O-CD1 3.01Å; L772-I776 WeakPolarHBondContact O-CG1 3.32Å; L772-I776 PolarHBondContact O-N 3.28Å; L774-I776 VanDerWaalsContact C-N 3.32Å; L774-I776 PolarHBondContact O-N 3.09Å; I776-R778 PolarHBondContact O-N 3.03Å; I776-L779 PolarHBondContact O-N 3.37Å; I776-I780 HydrophobicContact CG2-CD1 4.35Å; I776-I780 WeakPolarHBondContact O-CG1 3.24Å; I776-I780 PolarHBondContact O-N 3.07Å; I776-I780 VanDerWaalsContact O-N 3.16Å; I776-F790 HydrophobicContact CB-CB 4.15Å; I776-F790 HydrophobicContact CB-CD1 4.45Å; I776-F790 HydrophobicContact CB-CG 4.09Å; I776-F790 HydrophobicContact CD1-CB 4.04Å; I776-F790 HydrophobicContact CG2-CB 4.05Å; I776-F790 HydrophobicContact CG2-CD1 3.46Å; I776-F790 VanDerWaalsContact CG2-CD1 3.46Å; I776-F790 HydrophobicContact CG2-CD2 4.03Å; I776-F790 HydrophobicContact CG2-CE1 3.92Å; I776-F790 HydrophobicContact CG2-CE2 4.43Å; I776-F790 HydrophobicContact CG2-CG 3.53Å; I776-F790 HydrophobicContact CG2-CZ 4.39Å; I776-V792 HydrophobicContact CD1-CG2 3.81Å; I776-I800 HydrophobicContact CB-CD1 4.37Å; I776-I800 HydrophobicContact CG1-CD1 3.95Å; I776-L809 HydrophobicContact CG1-CD1 4.46Å; I776-L809 HydrophobicContact CG2-CD1 4.11Å; I776-L809 HydrophobicContact CG2-CD2 3.91Å; I776-L809 HydrophobicContact CG2-CG 4.49Å; I776-L812 HydrophobicContact CD1-CD1 3.94Å
777	A	95.1	Very high	93.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-56.2	-49.9	-176.2	0	0	0	0	0	112.6	S773 L774 I780 G781 M782 F790	S773-A777 PolarHBondContact O-N 2.79Å; L774-A777 PolarHBondContact O-N 3.45Å; A777-I780 WeakPolarHBondContact O-CG1 3.48Å; A777-G781 PolarHBondContact O-N 3.05Å; A777-M782 HydrophobicContact CB-CB 4.32Å; A777-M782 WeakPolarHBondContact O-CB 3.32Å; A777-M782 PolarHBondContact O-N 2.84Å; A777-F790 HydrophobicContact CB-CD2 3.92Å; A777-F790 HydrophobicContact CB-CE2 4Å
778	R	95.3	Very high	92.9	Very high	80 Å²	80	31.4 Å²	31.4	30%	0.302	17%	0.171	S	C	.	.	H	α-helix	trans	-69.6	-36.2	-177.2	-59.8	-56.1	-71.9	134.6	-6	112.7	E748 I751 L774 I776 G781 M782	E748-R778 IonicContact OE1-CZ 2.67Å; E748-R778 IonicContact OE1-NE 2.65Å; E748-R778 PolarHBondContact OE1-NE 3.28Å; E748-R778 IonicContact OE1-NH2 2.67Å; E748-R778 PolarHBondContact OE1-NH2 2.84Å; I751-R778 HydrophobicContact CD1-CB 3.54Å; I751-R778 HydrophobicContact CD1-CG 4.34Å; L774-R778 HydrophobicContact CD1-CG 3.71Å; L774-R778 HydrophobicContact CG-CG 4.11Å; L774-R778 WeakPolarHBondContact O-CG 3.18Å; L774-R778 PolarHBondContact O-N 2.67Å; I776-R778 PolarHBondContact O-N 3.03Å; R778-G781 PolarHBondContact O-N 2.96Å; R778-M782 PolarHBondContact NH1-O 3.26Å
779	L	94.3	Very high	92.3	Very high	25 Å²	25	38.2 Å²	38.2	13%	0.131	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-40.1	177.8	-77.6	173.2	0	0	0	112.8	L622 I751 L754 L775 I776 G781 I800 I802 A807	L622-L779 HydrophobicContact CD1-CD1 3.82Å; I751-L779 HydrophobicContact CD1-CG 4.47Å; I751-L779 HydrophobicContact CG1-CD2 4.43Å; I751-L779 HydrophobicContact CG1-CG 4.48Å; I751-L779 HydrophobicContact CG2-CD2 3.92Å; L754-L779 HydrophobicContact CD1-CD1 4.39Å; L754-L779 HydrophobicContact CD1-CD2 3.86Å; L775-L779 HydrophobicContact CD1-CD1 3.64Å; L775-L779 HydrophobicContact CD1-CG 4.08Å; L775-L779 HydrophobicContact CG-CD1 3.88Å; L775-L779 VanDerWaalsContact O-CB 3.27Å; L775-L779 WeakPolarHBondContact O-CB 3.34Å; L775-L779 WeakPolarHBondContact O-CD1 3.42Å; L775-L779 WeakPolarHBondContact O-CG 3.44Å; L775-L779 PolarHBondContact O-N 3.48Å; L775-L779 VanDerWaalsContact O-N 3.11Å; I776-L779 PolarHBondContact O-N 3.37Å; L779-G781 PolarHBondContact O-N 2.96Å; L779-I800 HydrophobicContact CB-CD1 4.41Å; L779-I800 HydrophobicContact CD1-CD1 3.74Å; L779-I802 HydrophobicContact CD1-CD1 4.13Å; L779-I802 HydrophobicContact CD2-CD1 3.95Å; L779-A807 HydrophobicContact CB-CB 4.07Å; L779-A807 VanDerWaalsContact O-CB 3.27Å; L779-A807 WeakPolarHBondContact O-CB 3.48Å
780	I	93.1	Very high	92	Very high	49 Å²	49	37.2 Å²	37.2	25%	0.251	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	6.9	178	72.4	-177.1	0	0	0	113.6	I776 A777 M782 F790 L809	I776-I780 HydrophobicContact CG2-CD1 4.35Å; I776-I780 WeakPolarHBondContact O-CG1 3.24Å; I776-I780 PolarHBondContact O-N 3.07Å; I776-I780 VanDerWaalsContact O-N 3.16Å; A777-I780 WeakPolarHBondContact O-CG1 3.48Å; I780-M782 HydrophobicContact CD1-CE 4.29Å; I780-M782 HydrophobicContact CD1-CG 4.37Å; I780-M782 HydrophobicContact CD1-SD 4.08Å; I780-M782 HydrophobicContact CG1-CG 4.15Å; I780-M782 HydrophobicContact CG1-SD 4.49Å; I780-F790 HydrophobicContact CD1-CE1 3.99Å; I780-F790 HydrophobicContact CD1-CE2 4.11Å; I780-F790 HydrophobicContact CD1-CZ 3.5Å; I780-F790 VanDerWaalsContact CD1-CZ 3.5Å; I780-L809 HydrophobicContact CG2-CB 4.16Å
781	G	91.4	Very high	91.8	Very high	64 Å²	64	44.2 Å²	44.2	66%	0.66	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.8	5.8	174.2	0	0	0	0	0	116.2	A777 R778 L779	A777-G781 PolarHBondContact O-N 3.05Å; R778-G781 PolarHBondContact O-N 2.96Å; L779-G781 PolarHBondContact O-N 2.96Å
782	M	91.9	Very high	91.5	Very high	69 Å²	69	44.1 Å²	44.1	34%	0.34	22%	0.221	S	C	.	.			trans	-77.3	155	176	-71.1	-173.9	176.7	0	0	112.3	A777 R778 I780 F790	A777-M782 HydrophobicContact CB-CB 4.32Å; A777-M782 WeakPolarHBondContact O-CB 3.32Å; A777-M782 PolarHBondContact O-N 2.84Å; R778-M782 PolarHBondContact NH1-O 3.26Å; I780-M782 HydrophobicContact CD1-CE 4.29Å; I780-M782 HydrophobicContact CD1-CG 4.37Å; I780-M782 HydrophobicContact CD1-SD 4.08Å; I780-M782 HydrophobicContact CG1-CG 4.15Å; I780-M782 HydrophobicContact CG1-SD 4.49Å; M782-F790 HydrophobicContact CE-CZ 4.21Å; M782-F790 HydrophobicContact SD-CE2 3.6Å; M782-F790 HydrophobicContact SD-CZ 3.6Å; M782-F790 VanDerWaalsContact SD-CZ 3.6Å
783	P	90.8	Very high	91.2	Very high	60 Å²	60	45.6 Å²	45.6	39%	0.39	23%	0.229	S	C	.	.			trans	-64.5	159.3	172.8	29.1	-35.2	0	0	0	111.4	E785 S786	P783-E785 HydrophobicContact CB-CG 4.17Å; P783-E785 HydrophobicContact CG-CG 4.11Å; P783-E785 PolarHBondContact O-N 2.84Å; P783-S786 WeakPolarHBondContact CG-OG 3.41Å; P783-S786 WeakPolarHBondContact O-CB 3.42Å; P783-S786 PolarHBondContact O-N 3.45Å; P783-S786 VanDerWaalsContact O-N 3.08Å
784	A	89.1	Confident	90.9	Very high	20 Å²	20	47.1 Å²	47.1	17%	0.165	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-60.7	-33.4	-174.5	0	0	0	0	0	113.1	F740 L774 S786 M787	F740-A784 HydrophobicContact CE1-CB 4.05Å; F740-A784 HydrophobicContact CZ-CB 3.77Å; L774-A784 HydrophobicContact CD1-CB 3.76Å; L774-A784 WeakPolarHBondContact CD1-O 3.38Å; A784-S786 PolarHBondContact O-N 2.81Å; A784-M787 WeakPolarHBondContact O-CB 3.31Å; A784-M787 WeakPolarHBondContact O-CG 3.5Å; A784-M787 PolarHBondContact O-N 3.5Å
785	E	84.2	Confident	90.6	Very high	96 Å²	96	47.6 Å²	47.6	45%	0.449	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-63.7	-22.5	176.6	66.5	-156.3	158.8	0	0	114.5	W729 Q730 P783 M787	W729-E785 HydrophobicContact CH2-CB 4.38Å; W729-E785 HydrophobicContact CZ2-CB 4.1Å; Q730-E785 PolarHBondContact NE2-OE2 3.35Å; P783-E785 HydrophobicContact CB-CG 4.17Å; P783-E785 HydrophobicContact CG-CG 4.11Å; P783-E785 PolarHBondContact O-N 2.84Å; E785-M787 PolarHBondContact O-N 2.91Å
786	S	88.6	Confident	90.4	Very high	18 Å²	18	47.7 Å²	47.7	13%	0.126	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-70.7	-3.8	174.9	-62.6	0	0	0	0	114.1	P783 A784 W788 H789 F790	P783-S786 WeakPolarHBondContact CG-OG 3.41Å; P783-S786 WeakPolarHBondContact O-CB 3.42Å; P783-S786 PolarHBondContact O-N 3.45Å; P783-S786 VanDerWaalsContact O-N 3.08Å; A784-S786 PolarHBondContact O-N 2.81Å; S786-W788 PolarHBondContact O-N 3.09Å; S786-W788 VanDerWaalsContact O-N 3.11Å; S786-H789 PolarHBondContact O-CD2 3.08Å; S786-H789 VanDerWaalsContact O-CD2 3.25Å; S786-H789 PolarHBondContact O-N 2.79Å; S786-H789 VanDerWaalsContact O-N 3.12Å; S786-F790 WeakPolarHBondContact O-CD2 3.5Å
787	M	89.7	Confident	90.3	Very high	7 Å²	7	47.7 Å²	47.7	3%	0.034	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-53.6	-32.9	179.3	66.1	177.3	-73.6	0	0	113.2	W729 F740 F743 G770 S773 L774 A784 E785 H789 F790	W729-M787 HydrophobicContact CH2-SD 4.4Å; W729-M787 HydrophobicContact CZ3-SD 4.28Å; F740-M787 HydrophobicContact CD2-SD 4.4Å; F740-M787 HydrophobicContact CE2-SD 3.46Å; F740-M787 WeakPolarHBondContact CE2-SD 3.49Å; F740-M787 HydrophobicContact CZ-SD 3.91Å; F743-M787 HydrophobicContact CE1-CE 4.5Å; G770-M787 WeakPolarHBondContact O-CE 3.29Å; S773-M787 WeakPolarHBondContact CB-O 3.42Å; L774-M787 HydrophobicContact CB-CB 4.15Å; L774-M787 HydrophobicContact CB-CE 4.44Å; L774-M787 HydrophobicContact CB-SD 4.35Å; L774-M787 HydrophobicContact CD1-CB 4.21Å; A784-M787 WeakPolarHBondContact O-CB 3.31Å; A784-M787 WeakPolarHBondContact O-CG 3.5Å; A784-M787 PolarHBondContact O-N 3.5Å; E785-M787 PolarHBondContact O-N 2.91Å; M787-H789 PolarHBondContact O-N 2.97Å; M787-H789 VanDerWaalsContact O-N 3.16Å; M787-F790 PolarHBondContact O-N 3.34Å
788	W	81.9	Confident	90.3	Very high	119 Å²	119	47.7 Å²	47.7	45%	0.451	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-65.4	-18.1	-177.9	-56.4	109.6	0	0	0	114.1	W729 S786 F790 I846	W729-W788 HydrophobicContact CD2-CZ2 4.15Å; W729-W788 AromaticContact CD2-NE1 3.92Å; W729-W788 AromaticContact CE2-NE1 3.41Å; W729-W788 AromaticContact CE3-CZ2 3.81Å; W729-W788 HydrophobicContact CE3-CZ2 3.81Å; W729-W788 AromaticContact CE3-NE1 4Å; W729-W788 AromaticContact CH2-CE2 3.99Å; W729-W788 HydrophobicContact CH2-CZ2 4.3Å; W729-W788 AromaticContact CH2-NE1 3.13Å; W729-W788 AromaticContact CZ2-CD1 3.78Å; W729-W788 AromaticContact CZ2-NE1 3.03Å; W729-W788 AromaticContact CZ3-CZ2 3.86Å; W729-W788 HydrophobicContact CZ3-CZ2 3.86Å; W729-W788 AromaticContact CZ3-NE1 3.61Å; S786-W788 PolarHBondContact O-N 3.09Å; S786-W788 VanDerWaalsContact O-N 3.11Å; W788-F790 VanDerWaalsContact C-N 3.29Å; W788-I846 HydrophobicContact CE3-CD1 3.63Å; W788-I846 HydrophobicContact CH2-CD1 4.45Å; W788-I846 HydrophobicContact CZ3-CD1 3.54Å
789	H	84.4	Confident	90.2	Very high	143 Å²	143	43.9 Å²	43.9	66%	0.662	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-73.7	-19.8	172.1	-54.8	-56.5	0	0	0	113	S786 M787	S786-H789 PolarHBondContact O-CD2 3.08Å; S786-H789 VanDerWaalsContact O-CD2 3.25Å; S786-H789 PolarHBondContact O-N 2.79Å; S786-H789 VanDerWaalsContact O-N 3.12Å; M787-H789 PolarHBondContact O-N 2.97Å; M787-H789 VanDerWaalsContact O-N 3.16Å
790	F	88.8	Confident	90.2	Very high	20 Å²	20	42.7 Å²	42.7	9%	0.088	22%	0.221	C	C	.	.			trans	-107.6	61.7	-171.9	-58.6	-68.9	0	0	0	112.1	S773 I776 A777 I780 M782 S786 M787 W788 V792 L809 L812	S773-F790 WeakPolarHBondContact CA-O 3.41Å; S773-F790 WeakPolarHBondContact CB-O 3.35Å; S773-F790 PolarHBondContact OG-O 3.03Å; I776-F790 HydrophobicContact CB-CB 4.15Å; I776-F790 HydrophobicContact CB-CD1 4.45Å; I776-F790 HydrophobicContact CB-CG 4.09Å; I776-F790 HydrophobicContact CD1-CB 4.04Å; I776-F790 HydrophobicContact CG2-CB 4.05Å; I776-F790 HydrophobicContact CG2-CD1 3.46Å; I776-F790 VanDerWaalsContact CG2-CD1 3.46Å; I776-F790 HydrophobicContact CG2-CD2 4.03Å; I776-F790 HydrophobicContact CG2-CE1 3.92Å; I776-F790 HydrophobicContact CG2-CE2 4.43Å; I776-F790 HydrophobicContact CG2-CG 3.53Å; I776-F790 HydrophobicContact CG2-CZ 4.39Å; A777-F790 HydrophobicContact CB-CD2 3.92Å; A777-F790 HydrophobicContact CB-CE2 4Å; I780-F790 HydrophobicContact CD1-CE1 3.99Å; I780-F790 HydrophobicContact CD1-CE2 4.11Å; I780-F790 HydrophobicContact CD1-CZ 3.5Å; I780-F790 VanDerWaalsContact CD1-CZ 3.5Å; M782-F790 HydrophobicContact CE-CZ 4.21Å; M782-F790 HydrophobicContact SD-CE2 3.6Å; M782-F790 HydrophobicContact SD-CZ 3.6Å; M782-F790 VanDerWaalsContact SD-CZ 3.6Å; S786-F790 WeakPolarHBondContact O-CD2 3.5Å; M787-F790 PolarHBondContact O-N 3.34Å; W788-F790 VanDerWaalsContact C-N 3.29Å; F790-V792 PolarHBondContact O-N 3.18Å; F790-L809 HydrophobicContact CD1-CD2 4.06Å; F790-L809 HydrophobicContact CE1-CD2 3.97Å; F790-L812 HydrophobicContact CD1-CD2 4.47Å
791	R	89.2	Confident	90	Very high	156 Å²	156	40.4 Å²	40.4	59%	0.589	21%	0.209	S	C	*	.			trans	-60.8	130.9	173.2	173.1	177.3	162.9	172.3	-5.5	110.3	D793 N813	R791-D793 IonicContact CZ-OD1 2.64Å; R791-D793 IonicContact NE-OD1 3.18Å; R791-D793 PolarHBondContact NE-OD1 3.5Å; R791-D793 IonicContact NE-OD2 2.73Å; R791-D793 IonicContact NH2-OD1 3.86Å; R791-D793 PolarHBondContact NH2-OD1 3.24Å; R791-N813 PolarHBondContact O-ND2 3.32Å; R791-N813 PolarHBondContact O-OD1 2.81Å
792	V	90.6	Very high	89.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.184	C	C	.	.			trans	-113.7	114.6	177.1	-172.3	0	0	0	0	109.9	R626 Q769 L772 I776 F790 N813	R626-V792 HydrophobicContact CB-CG1 3.92Å; R626-V792 WeakPolarHBondContact CD-O 3.27Å; R626-V792 PolarHBondContact NH1-O 3.14Å; Q769-V792 PolarHBondContact OE1-O 3.2Å; L772-V792 HydrophobicContact CB-CB 4.44Å; L772-V792 HydrophobicContact CB-CG2 3.87Å; L772-V792 HydrophobicContact CD1-CG1 4.13Å; I776-V792 HydrophobicContact CD1-CG2 3.81Å; F790-V792 PolarHBondContact O-N 3.18Å; V792-N813 WeakPolarHBondContact CA-OD1 3.29Å
793	D	90.6	Very high	88.9	Confident	31 Å²	31	36.2 Å²	36.2	17%	0.166	17%	0.173	C	C	.	.			trans	-86.7	144	-174.8	-71.8	-51.1	0	0	0	112.9	R791 C796 N813	R791-D793 IonicContact CZ-OD1 2.64Å; R791-D793 IonicContact NE-OD1 3.18Å; R791-D793 PolarHBondContact NE-OD1 3.5Å; R791-D793 IonicContact NE-OD2 2.73Å; R791-D793 IonicContact NH2-OD1 3.86Å; R791-D793 PolarHBondContact NH2-OD1 3.24Å; D793-C796 HydrophobicContact CB-CB 4.33Å; D793-C796 PolarHBondContact O-N 3.39Å; D793-N813 HydrophobicContact CB-CB 4.44Å; D793-N813 PolarHBondContact N-ND2 2.78Å; D793-N813 PolarHBondContact N-OD1 2.71Å; D793-N813 PolarHBondContact OD2-ND2 3.42Å
794	Q	91.3	Very high	87.9	Confident	32 Å²	32	40.2 Å²	40.2	15%	0.15	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	144	172.9	-55.2	95.9	-46.9	0	0	111.2	R626 H627 N633 Q653 C796	R626-Q794 HydrophobicContact CG-CG 4.31Å; H627-Q794 WeakPolarHBondContact O-CG 3.27Å; N633-Q794 PolarHBondContact OD1-NE2 2.87Å; Q653-Q794 VanDerWaalsContact OE1-CB 3.22Å; Q794-C796 PolarHBondContact O-N 3.34Å
795	G	88.8	Confident	86.9	Confident	11 Å²	11	45.2 Å²	45.2	11%	0.113	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	5.8	-175	0	0	0	0	0	114.7
796	C	92.6	Very high	86.8	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.007	21%	0.208	C	C	.	.			trans	-116.2	160.9	175.2	-55.7	0	0	0	0	111.2	D793 Q794 N813 S814 R815	D793-C796 HydrophobicContact CB-CB 4.33Å; D793-C796 PolarHBondContact O-N 3.39Å; Q794-C796 PolarHBondContact O-N 3.34Å; C796-N813 HydrophobicContact CB-CB 3.98Å; C796-S814 WeakPolarHBondContact CA-O 3.28Å; C796-R815 HydrophobicContact CB-CG 4.48Å; C796-R815 VanDerWaalsContact SG-CG 3.51Å; C796-R815 PolarHBondContact SG-NE 2.87Å
797	W	93.9	Very high	86.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	151.1	171.8	63.9	-92.3	0	0	0	111.8	W623 I625 L657 L661 A799 V811 N813 S814 A816 F821	W623-W797 HydrophobicContact CE3-CD2 4.25Å; W623-W797 AromaticContact CE3-CE3 3.63Å; W623-W797 HydrophobicContact CE3-CE3 3.63Å; W623-W797 AromaticContact CE3-CZ3 3.89Å; W623-W797 HydrophobicContact CE3-CZ3 3.89Å; W623-W797 HydrophobicContact CH2-CZ3 4.31Å; W623-W797 HydrophobicContact CZ3-CD2 4.06Å; W623-W797 AromaticContact CZ3-CE3 3.53Å; W623-W797 HydrophobicContact CZ3-CE3 3.53Å; W623-W797 AromaticContact CZ3-CH2 3.86Å; W623-W797 HydrophobicContact CZ3-CH2 3.86Å; W623-W797 HydrophobicContact CZ3-CZ2 4.35Å; W623-W797 AromaticContact CZ3-CZ3 3.42Å; W623-W797 HydrophobicContact CZ3-CZ3 3.42Å; W623-W797 VanDerWaalsContact CZ3-CZ3 3.42Å; I625-W797 HydrophobicContact CG1-CB 4.25Å; L657-W797 HydrophobicContact CD2-CB 4.01Å; L657-W797 HydrophobicContact CD2-CG 4.47Å; L661-W797 HydrophobicContact CD1-CB 4.08Å; L661-W797 HydrophobicContact CD1-CG 4.23Å; L661-W797 HydrophobicContact CD2-CD2 4.13Å; L661-W797 HydrophobicContact CD2-CG 3.99Å; L661-W797 HydrophobicContact CG-CG 4.48Å; W797-A799 HydrophobicContact CE3-CB 4.39Å; W797-A799 HydrophobicContact CZ3-CB 4.03Å; W797-V811 HydrophobicContact CE3-CB 4.4Å; W797-V811 HydrophobicContact CE3-CG1 4.05Å; W797-V811 HydrophobicContact CH2-CB 4.21Å; W797-V811 HydrophobicContact CH2-CG1 3.87Å; W797-V811 HydrophobicContact CH2-CG2 3.9Å; W797-V811 HydrophobicContact CZ3-CB 3.71Å; W797-V811 HydrophobicContact CZ3-CG1 3.61Å; W797-V811 HydrophobicContact CZ3-CG2 3.78Å; W797-N813 PolarHBondContact O-N 2.89Å; W797-S814 VanDerWaalsContact CD1-O 3.32Å; W797-S814 VanDerWaalsContact CE2-OG 3.3Å; W797-S814 WeakPolarHBondContact CZ2-OG 3.08Å; W797-S814 PolarHBondContact N-O 3.41Å; W797-S814 PolarHBondContact NE1-OG 3.44Å; W797-S814 PolarHBondContact O-N 3.45Å; W797-A816 PolarHBondContact NE1-O 2.85Å; W797-F821 AromaticContact CH2-CD2 3.83Å; W797-F821 HydrophobicContact CH2-CD2 3.83Å; W797-F821 HydrophobicContact CH2-CE2 4.07Å; W797-F821 HydrophobicContact CZ2-CD2 4.16Å; W797-F821 HydrophobicContact CZ2-CE2 4.12Å
798	S	95.2	Very high	86.7	Confident	0 Å²	0	48 Å²	48	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	160.5	176.5	-56.4	0	0	0	0	109.5	W623 L624 V811 L812 N813	W623-S798 CarbonylContact C-O 3.58Å; W623-S798 WeakPolarHBondContact CA-O 3.46Å; L624-S798 PolarHBondContact N-O 3.16Å; L624-S798 PolarHBondContact O-N 3.28Å; S798-V811 CarbonylContact C-O 3.58Å; S798-V811 VanDerWaalsContact CA-O 3.25Å; S798-V811 WeakPolarHBondContact CA-O 3.49Å; S798-V811 VanDerWaalsContact CB-O 3.28Å; S798-V811 WeakPolarHBondContact CB-O 3.43Å; S798-L812 WeakPolarHBondContact OG-CA 3.47Å; S798-N813 PolarHBondContact OG-N 3.21Å; S798-N813 PolarHBondContact OG-OD1 2.73Å
799	A	93.9	Very high	87.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	134.7	-178.9	0	0	0	0	0	112.4	L622 W797 R810 V811	L622-A799 CarbonylContact O-C 3.43Å; L622-A799 WeakPolarHBondContact O-CA 3.41Å; W797-A799 HydrophobicContact CE3-CB 4.39Å; W797-A799 HydrophobicContact CZ3-CB 4.03Å; A799-R810 HydrophobicContact CB-CB 4.48Å; A799-R810 PolarHBondContact O-N 3.38Å; A799-V811 HydrophobicContact CB-CB 4.28Å; A799-V811 PolarHBondContact N-O 3.43Å; A799-V811 PolarHBondContact O-N 3.47Å
800	I	94.1	Very high	87.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.8	172.8	-56.7	177.5	0	0	0	108.7	R621 L622 L624 I776 L779 I802 A807 T808 L809	R621-I800 WeakPolarHBondContact CA-O 3.46Å; L622-I800 PolarHBondContact N-O 3.11Å; L622-I800 PolarHBondContact O-N 2.83Å; L624-I800 HydrophobicContact CD1-CD1 3.85Å; L624-I800 HydrophobicContact CD1-CG1 4.17Å; I776-I800 HydrophobicContact CB-CD1 4.37Å; I776-I800 HydrophobicContact CG1-CD1 3.95Å; L779-I800 HydrophobicContact CB-CD1 4.41Å; L779-I800 HydrophobicContact CD1-CD1 3.74Å; I800-I802 HydrophobicContact CG2-CG1 4Å; I800-A807 HydrophobicContact CG2-CB 3.8Å; I800-T808 WeakPolarHBondContact CA-O 3.18Å; I800-L809 HydrophobicContact CG1-CD1 3.92Å
801	D	89.3	Confident	87.2	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	132.4	167	-79.1	6.5	0	0	0	109.4	M619 R621 A807 T808 R810	M619-D801 HydrophobicContact CG-CB 4Å; M619-D801 HydrophobicContact SD-CB 3.55Å; M619-D801 VanDerWaalsContact SD-CB 3.55Å; R621-D801 IonicContact CZ-OD1 2.85Å; R621-D801 IonicContact NE-OD1 3.49Å; R621-D801 PolarHBondContact NE-OD1 3.11Å; R621-D801 VanDerWaalsContact NH2-CG 3.29Å; R621-D801 IonicContact NH2-OD1 2.93Å; R621-D801 PolarHBondContact NH2-OD1 3.46Å; R621-D801 IonicContact NH2-OD2 3.4Å; R621-D801 PolarHBondContact NH2-OD2 2.7Å; D801-A807 CarbonylContact O-C 3.46Å; D801-A807 WeakPolarHBondContact O-CA 3.41Å; D801-T808 PolarHBondContact N-O 2.97Å; D801-T808 PolarHBondContact O-N 2.97Å; D801-R810 HydrophobicContact CB-CG 4.11Å; D801-R810 IonicContact OD2-CZ 3.72Å; D801-R810 VanDerWaalsContact OD2-CZ 3.22Å; D801-R810 IonicContact OD2-NE 3.92Å; D801-R810 PolarHBondContact OD2-NE 3.48Å; D801-R810 IonicContact OD2-NH2 3.19Å; D801-R810 PolarHBondContact OD2-NH2 3.26Å
802	I	86.7	Confident	87.3	Confident	26 Å²	26	39.1 Å²	39.1	13%	0.133	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	129	178.4	-56.7	179.5	0	0	0	108.9	M620 L622 L754 L779 I800 A807	M620-I802 HydrophobicContact CB-CB 4.46Å; M620-I802 PolarHBondContact N-O 2.68Å; M620-I802 PolarHBondContact O-N 2.87Å; M620-I802 HydrophobicContact SD-CD1 4.35Å; L622-I802 HydrophobicContact CD1-CD1 3.55Å; L622-I802 HydrophobicContact CG-CD1 3.81Å; L754-I802 HydrophobicContact CD1-CD1 4.2Å; L779-I802 HydrophobicContact CD1-CD1 4.13Å; L779-I802 HydrophobicContact CD2-CD1 3.95Å; I800-I802 HydrophobicContact CG2-CG1 4Å; I802-A807 HydrophobicContact CG1-CB 4.02Å
803	N	74.5	Confident	87.3	Confident	20 Å²	20	40.7 Å²	40.7	11%	0.107	20%	0.198	C	C	.	.			trans	-119.9	-177.6	164.8	64.9	61.1	0	0	0	109.6	K805 F806	N803-K805 PolarHBondContact O-N 3.1Å; N803-K805 VanDerWaalsContact O-N 3.16Å; N803-K805 WeakPolarHBondContact OD1-CA 3.01Å; N803-K805 WeakPolarHBondContact OD1-CB 3.33Å; N803-K805 PolarHBondContact OD1-N 3.04Å; N803-F806 PolarHBondContact N-O 2.75Å; N803-F806 WeakPolarHBondContact ND2-CD2 3.25Å; N803-F806 VanDerWaalsContact ND2-CE1 3.32Å; N803-F806 WeakPolarHBondContact ND2-CE1 3.44Å; N803-F806 WeakPolarHBondContact ND2-CE2 3.5Å; N803-F806 WeakPolarHBondContact ND2-CZ 3.26Å; N803-F806 PolarHBondContact ND2-O 2.7Å; N803-F806 PolarHBondContact OD1-N 2.72Å; N803-F806 PolarHBondContact OD1-O 2.99Å
804	Q	68.1	Low	87.1	Confident	144 Å²	144	39.9 Å²	39.9	67%	0.673	19%	0.194	S	C	*	.	S	Bend	trans	-68	-10.7	-176.8	-67.3	-172.3	-28.3	0	0	115
805	K	69.5	Low	86.6	Confident	125 Å²	125	46.8 Å²	46.8	54%	0.543	22%	0.219	S	C	.	.	S	Bend	trans	-116.2	-32.8	-172.4	-64.3	171.1	-177.4	171.1	0	113.2	E616 N803	E616-K805 WeakPolarHBondContact OE1-CE 3.45Å; E616-K805 IonicContact OE1-NZ 3.01Å; E616-K805 PolarHBondContact OE1-NZ 3.29Å; N803-K805 PolarHBondContact O-N 3.1Å; N803-K805 VanDerWaalsContact O-N 3.16Å; N803-K805 WeakPolarHBondContact OD1-CA 3.01Å; N803-K805 WeakPolarHBondContact OD1-CB 3.33Å; N803-K805 PolarHBondContact OD1-N 3.04Å
806	F	81.2	Confident	85.4	Confident	117 Å²	117	48 Å²	48	51%	0.513	23%	0.228	S	C	.	.			trans	-157.7	163.3	-178.5	59.5	-89.2	0	0	0	112.5	N803 T808	N803-F806 PolarHBondContact N-O 2.75Å; N803-F806 WeakPolarHBondContact ND2-CD2 3.25Å; N803-F806 VanDerWaalsContact ND2-CE1 3.32Å; N803-F806 WeakPolarHBondContact ND2-CE1 3.44Å; N803-F806 WeakPolarHBondContact ND2-CE2 3.5Å; N803-F806 WeakPolarHBondContact ND2-CZ 3.26Å; N803-F806 PolarHBondContact ND2-O 2.7Å; N803-F806 PolarHBondContact OD1-N 2.72Å; N803-F806 PolarHBondContact OD1-O 2.99Å; F806-T808 WeakPolarHBondContact CD2-OG1 3.42Å; F806-T808 WeakPolarHBondContact CE2-OG1 3.19Å
807	A	87.7	Confident	83.6	Confident	17 Å²	17	52 Å²	52	14%	0.14	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	158	163.5	0	0	0	0	0	111.3	L779 I800 D801 I802	L779-A807 HydrophobicContact CB-CB 4.07Å; L779-A807 VanDerWaalsContact O-CB 3.27Å; L779-A807 WeakPolarHBondContact O-CB 3.48Å; I800-A807 HydrophobicContact CG2-CB 3.8Å; D801-A807 CarbonylContact O-C 3.46Å; D801-A807 WeakPolarHBondContact O-CA 3.41Å; I802-A807 HydrophobicContact CG1-CB 4.02Å
808	T	87.7	Confident	81.2	Confident	45 Å²	45	52 Å²	52	28%	0.276	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	114.5	176.9	-58.7	0	0	0	0	109.3	I800 D801 F806 R810	I800-T808 WeakPolarHBondContact CA-O 3.18Å; D801-T808 PolarHBondContact N-O 2.97Å; D801-T808 PolarHBondContact O-N 2.97Å; F806-T808 WeakPolarHBondContact CD2-OG1 3.42Å; F806-T808 WeakPolarHBondContact CE2-OG1 3.19Å; T808-R810 PolarHBondContact O-N 3.08Å; T808-R810 VanDerWaalsContact O-N 3.12Å
809	L	92.3	Very high	78.9	Confident	45 Å²	45	57.4 Å²	57.4	24%	0.236	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	109.9	166.5	-178.4	66.9	0	0	0	108.2	I776 I780 F790 I800 V811 L812	I776-L809 HydrophobicContact CG1-CD1 4.46Å; I776-L809 HydrophobicContact CG2-CD1 4.11Å; I776-L809 HydrophobicContact CG2-CD2 3.91Å; I776-L809 HydrophobicContact CG2-CG 4.49Å; I780-L809 HydrophobicContact CG2-CB 4.16Å; F790-L809 HydrophobicContact CD1-CD2 4.06Å; F790-L809 HydrophobicContact CE1-CD2 3.97Å; I800-L809 HydrophobicContact CG1-CD1 3.92Å; L809-V811 WeakPolarHBondContact CD1-O 3.44Å; L809-L812 HydrophobicContact CD2-CB 4.38Å
810	R	86.3	Confident	76.1	Confident	125 Å²	125	63.7 Å²	63.7	47%	0.472	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-37.3	-178.7	-69	-64.9	-159.2	-172.1	0.6	112.5	A799 D801 T808 Y822	A799-R810 HydrophobicContact CB-CB 4.48Å; A799-R810 PolarHBondContact O-N 3.38Å; D801-R810 HydrophobicContact CB-CG 4.11Å; D801-R810 IonicContact OD2-CZ 3.72Å; D801-R810 VanDerWaalsContact OD2-CZ 3.22Å; D801-R810 IonicContact OD2-NE 3.92Å; D801-R810 PolarHBondContact OD2-NE 3.48Å; D801-R810 IonicContact OD2-NH2 3.19Å; D801-R810 PolarHBondContact OD2-NH2 3.26Å; T808-R810 PolarHBondContact O-N 3.08Å; T808-R810 VanDerWaalsContact O-N 3.12Å; R810-Y822 WeakPolarHBondContact CB-OH 3.42Å; R810-Y822 WeakPolarHBondContact CG-OH 3.45Å
811	V	87.9	Confident	73.5	Confident	13 Å²	13	68.9 Å²	68.9	8%	0.079	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	137	-173.4	-179.6	0	0	0	0	108.6	W797 S798 A799 L809 F821	W797-V811 HydrophobicContact CE3-CB 4.4Å; W797-V811 HydrophobicContact CE3-CG1 4.05Å; W797-V811 HydrophobicContact CH2-CB 4.21Å; W797-V811 HydrophobicContact CH2-CG1 3.87Å; W797-V811 HydrophobicContact CH2-CG2 3.9Å; W797-V811 HydrophobicContact CZ3-CB 3.71Å; W797-V811 HydrophobicContact CZ3-CG1 3.61Å; W797-V811 HydrophobicContact CZ3-CG2 3.78Å; S798-V811 CarbonylContact C-O 3.58Å; S798-V811 VanDerWaalsContact CA-O 3.25Å; S798-V811 WeakPolarHBondContact CA-O 3.49Å; S798-V811 VanDerWaalsContact CB-O 3.28Å; S798-V811 WeakPolarHBondContact CB-O 3.43Å; A799-V811 HydrophobicContact CB-CB 4.28Å; A799-V811 PolarHBondContact N-O 3.43Å; A799-V811 PolarHBondContact O-N 3.47Å; L809-V811 WeakPolarHBondContact CD1-O 3.44Å; V811-F821 HydrophobicContact CG2-CD1 4.43Å; V811-F821 HydrophobicContact CG2-CG 4.41Å
812	L	92	Very high	71	Confident	68 Å²	68	73 Å²	73	36%	0.356	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.3	170.3	-172.7	67.8	0	0	0	108.6	I776 F790 S798 L809 S814	I776-L812 HydrophobicContact CD1-CD1 3.94Å; F790-L812 HydrophobicContact CD1-CD2 4.47Å; S798-L812 WeakPolarHBondContact OG-CA 3.47Å; L809-L812 HydrophobicContact CD2-CB 4.38Å; L812-S814 VanDerWaalsContact C-N 3.32Å; L812-S814 PolarHBondContact O-N 2.78Å
813	N	90.4	Very high	68.4	Low	34 Å²	34	79 Å²	79	18%	0.182	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	49.7	40.1	174.5	-57.9	-7.3	0	0	0	116	R791 V792 D793 C796 W797 S798	R791-N813 PolarHBondContact O-ND2 3.32Å; R791-N813 PolarHBondContact O-OD1 2.81Å; V792-N813 WeakPolarHBondContact CA-OD1 3.29Å; D793-N813 HydrophobicContact CB-CB 4.44Å; D793-N813 PolarHBondContact N-ND2 2.78Å; D793-N813 PolarHBondContact N-OD1 2.71Å; D793-N813 PolarHBondContact OD2-ND2 3.42Å; C796-N813 HydrophobicContact CB-CB 3.98Å; W797-N813 PolarHBondContact O-N 2.89Å; S798-N813 PolarHBondContact OG-N 3.21Å; S798-N813 PolarHBondContact OG-OD1 2.73Å
814	S	85.2	Confident	66.2	Low	14 Å²	14	85.6 Å²	85.6	10%	0.098	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	137.7	174.1	172.2	0	0	0	0	112.3	C796 W797 L812 A816	C796-S814 WeakPolarHBondContact CA-O 3.28Å; W797-S814 VanDerWaalsContact CD1-O 3.32Å; W797-S814 VanDerWaalsContact CE2-OG 3.3Å; W797-S814 WeakPolarHBondContact CZ2-OG 3.08Å; W797-S814 PolarHBondContact N-O 3.41Å; W797-S814 PolarHBondContact NE1-OG 3.44Å; W797-S814 PolarHBondContact O-N 3.45Å; L812-S814 VanDerWaalsContact C-N 3.32Å; L812-S814 PolarHBondContact O-N 2.78Å; S814-A816 PolarHBondContact OG-N 3.09Å; S814-A816 PolarHBondContact OG-O 3.33Å
815	R	82.1	Confident	64.3	Low	177 Å²	177	81.7 Å²	81.7	67%	0.668	40%	0.403	S	S	*	.			trans	-109.5	9.5	164.5	-61.3	-177.6	-178.2	159	4.5	112.4	L660 C796	L660-R815 WeakPolarHBondContact CD1-O 3.26Å; L660-R815 VanDerWaalsContact CD2-O 3.3Å; L660-R815 WeakPolarHBondContact CD2-O 3.22Å; C796-R815 HydrophobicContact CB-CG 4.48Å; C796-R815 VanDerWaalsContact SG-CG 3.51Å; C796-R815 PolarHBondContact SG-NE 2.87Å
816	A	63	Low	62.4	Low	37 Å²	37	79.2 Å²	79.2	31%	0.306	40%	0.396	S	S	.	.	S	Bend	trans	-89.5	157.2	177.3	0	0	0	0	0	111.3	W797 S814 G818 L820 F821	W797-A816 PolarHBondContact NE1-O 2.85Å; S814-A816 PolarHBondContact OG-N 3.09Å; S814-A816 PolarHBondContact OG-O 3.33Å; A816-G818 PolarHBondContact O-N 3.06Å; A816-L820 HydrophobicContact CB-CD1 4.43Å; A816-F821 HydrophobicContact CB-CE2 4.32Å
817	I	54.7	Low	59.7	Low	83 Å²	83	76.3 Å²	76.3	43%	0.426	39%	0.393	S	S	.	.			trans	-62	127.9	179	-56.6	170.2	0	0	0	109.5	L660 K819 L820	L660-I817 HydrophobicContact CD2-CG1 4.04Å; I817-K819 HydrophobicContact CG2-CB 4.24Å; I817-K819 PolarHBondContact O-N 3.32Å; I817-L820 HydrophobicContact CB-CD1 4.32Å; I817-L820 PolarHBondContact O-N 2.64Å; I817-L820 VanDerWaalsContact O-N 3.07Å
818	G	43.7	Very low	56.9	Low	2 Å²	2	80.8 Å²	80.8	2%	0.021	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-55.5	-25	-172.3	0	0	0	0	0	115.2	L660 A816 L820	L660-G818 PolarHBondContact O-N 3.26Å; A816-G818 PolarHBondContact O-N 3.06Å; G818-L820 VanDerWaalsContact C-N 3.33Å; G818-L820 PolarHBondContact O-N 2.71Å
819	K	46.2	Very low	53.9	Low	113 Å²	113	84.3 Å²	84.3	49%	0.491	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-67.4	-25.2	179.9	-144.6	180	-138.1	167.9	0	114.4	D663 I817 F821	D663-K819 HydrophobicContact CB-CD 4.45Å; D663-K819 VanDerWaalsContact CG-CE 3.41Å; D663-K819 WeakPolarHBondContact OD1-CE 3.37Å; D663-K819 IonicContact OD1-NZ 3.02Å; D663-K819 PolarHBondContact OD1-NZ 3.2Å; D663-K819 WeakPolarHBondContact OD2-CD 3.42Å; D663-K819 VanDerWaalsContact OD2-CE 3.27Å; D663-K819 WeakPolarHBondContact OD2-CE 3.37Å; D663-K819 IonicContact OD2-NZ 4Å; D663-K819 PolarHBondContact OD2-NZ 3.33Å; I817-K819 HydrophobicContact CG2-CB 4.24Å; I817-K819 PolarHBondContact O-N 3.32Å; K819-F821 VanDerWaalsContact C-N 3.28Å; K819-F821 PolarHBondContact O-N 2.91Å
820	L	35.8	Very low	50.7	Low	131 Å²	131	86.1 Å²	86.1	69%	0.686	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-67.5	-22.8	-171.5	-81.1	162.3	0	0	0	114.3	A816 I817 G818	A816-L820 HydrophobicContact CB-CD1 4.43Å; I817-L820 HydrophobicContact CB-CD1 4.32Å; I817-L820 PolarHBondContact O-N 2.64Å; I817-L820 VanDerWaalsContact O-N 3.07Å; G818-L820 VanDerWaalsContact C-N 3.33Å; G818-L820 PolarHBondContact O-N 2.71Å
821	F	40.5	Very low	48	Very low	109 Å²	109	85.5 Å²	85.5	48%	0.478	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-90.2	-7.8	-174.7	-70.1	-84.6	0	0	0	114.8	W797 V811 A816 K819	W797-F821 AromaticContact CH2-CD2 3.83Å; W797-F821 HydrophobicContact CH2-CD2 3.83Å; W797-F821 HydrophobicContact CH2-CE2 4.07Å; W797-F821 HydrophobicContact CZ2-CD2 4.16Å; W797-F821 HydrophobicContact CZ2-CE2 4.12Å; V811-F821 HydrophobicContact CG2-CD1 4.43Å; V811-F821 HydrophobicContact CG2-CG 4.41Å; A816-F821 HydrophobicContact CB-CE2 4.32Å; K819-F821 VanDerWaalsContact C-N 3.28Å; K819-F821 PolarHBondContact O-N 2.91Å
822	Y	35.3	Very low	45	Very low	89 Å²	89	87.6 Å²	87.6	35%	0.349	51%	0.514	S	S	.	.	S	Bend	trans	-129.5	32.2	-166.2	-67.1	-71.3	0	0	0	115.2	R621 R810	R621-Y822 VanDerWaalsContact NH1-CZ 3.34Å; R621-Y822 VanDerWaalsContact NH2-CZ 3.33Å; R621-Y822 PolarHBondContact NH2-OH 3.44Å; R810-Y822 WeakPolarHBondContact CB-OH 3.42Å; R810-Y822 WeakPolarHBondContact CG-OH 3.45Å
823	K	32.3	Very low	41.8	Very low	151 Å²	151	96.4 Å²	96.4	66%	0.657	54%	0.543	S	S	*	.			trans	-126.6	112.7	164.5	-94.7	-169.7	160.3	-157.2	0	111.5	D826	K823-D826 IonicContact NZ-OD2 3.66Å
824	N	29.1	Very low	38.8	Very low	159 Å²	159	101.6 Å²	101.6	85%	0.85	57%	0.571	S	S	*	*	S	Bend	trans	-66.6	137.6	164.8	-65.7	-12.8	0	0	0	110.1
825	G	28	Very low	35.9	Very low	61 Å²	61	108.1 Å²	108.1	63%	0.629	60%	0.604	S	S	*	*	S	Bend	trans	102.2	-22.1	155.7	0	0	0	0	0	118.9
826	D	29.1	Very low	33.2	Very low	74 Å²	74	105.3 Å²	105.3	40%	0.396	61%	0.612	S	S	.	*			trans	-93.3	111.4	-177.3	-79.9	-36.7	0	0	0	112.2	K823	K823-D826 IonicContact NZ-OD2 3.66Å
827	A	25.4	Very low	31.5	Very low	56 Å²	56	109.6 Å²	109.6	46%	0.463	64%	0.637	S	S	.	*			trans	-102.3	169.3	170.5	0	0	0	0	0	112.4
828	I	27.3	Very low	30.1	Very low	110 Å²	110	113.8 Å²	113.8	56%	0.564	66%	0.659	S	S	*	*			trans	100.2	120.4	160.7	-55.7	162.8	0	0	0	117.8	K405	K405-I828 HydrophobicContact CD-CD1 3.79Å; K405-I828 HydrophobicContact CG-CD1 4.44Å
829	C	26.4	Very low	29.3	Very low	120 Å²	120	118.5 Å²	118.5	81%	0.811	69%	0.691	S	S	*	*			trans	64.3	98.4	155.4	-68.7	0	0	0	0	121.8
830	G	23.6	Very low	28.2	Very low	82 Å²	82	122.4 Å²	122.4	85%	0.845	71%	0.708	S	S	*	*				48.6	99.5	90.6	0	0	0	0	0	120.7
831	A	29.4	Very low	27.8	Very low	112 Å²	112	118.7 Å²	118.7	93%	0.926	70%	0.697	S	S	*	*			trans	-162.3	148.1	147.3	0	0	0	0	0	107.6
832	G	25.6	Very low	27.2	Very low	58 Å²	58	117 Å²	117	60%	0.598	69%	0.692	S	S	*	*			cis	153.8	133.6	-8.3	0	0	0	0	0	111.2
833	W	24.5	Very low	26.8	Very low	253 Å²	253	116.3 Å²	116.3	96%	0.958	70%	0.701	S	S	*	*			trans	69.1	152.7	179.9	-39.7	91.9	0	0	0	114.3
834	D	27.2	Very low	26.7	Very low	143 Å²	143	111 Å²	111	77%	0.765	69%	0.686	S	S	*	*			cis	-146.5	162.6	9	-158.6	5.4	0	0	0	111.7
835	D	24.1	Very low	26.8	Very low	151 Å²	151	106.8 Å²	106.8	81%	0.807	67%	0.665	S	S	*	*			trans	-95.8	131.8	-173.4	-79.9	-50.8	0	0	0	114.3
836	S	26.9	Very low	26.8	Very low	118 Å²	118	110.5 Å²	110.5	83%	0.825	67%	0.669	S	S	*	*			trans	-166	122.2	162.9	-70.6	0	0	0	0	112.9
837	P	25.7	Very low	26.8	Very low	127 Å²	127	109.3 Å²	109.3	83%	0.825	67%	0.665	S	S	*	*			trans	-98.5	133.7	-177.3	35.1	-32.5	0	0	0	114.5
838	L	26.2	Very low	26.8	Very low	171 Å²	171	109.5 Å²	109.5	90%	0.895	66%	0.661	S	S	*	*			trans	-137	89.2	170.3	-78.5	178.4	0	0	0	114.1
839	S	26	Very low	26.9	Very low	100 Å²	100	111.8 Å²	111.8	70%	0.699	67%	0.667	S	S	*	*			trans	18.6	119.4	146.4	60.6	0	0	0	0	122
840	K	24.7	Very low	27.1	Very low	195 Å²	195	109 Å²	109	85%	0.848	65%	0.649	S	S	*	*			trans	52.1	110.5	132.3	-63.3	-167.6	173.2	-164.3	0	120.3
841	A	26.7	Very low	27.5	Very low	54 Å²	54	110.2 Å²	110.2	45%	0.446	64%	0.642	S	S	.	*			trans	-157.9	111.3	139.8	0	0	0	0	0	111.7	R649	R649-A841 PolarHBondContact NH1-O 2.85Å
842	D	26.9	Very low	28.1	Very low	72 Å²	72	108.9 Å²	108.9	39%	0.385	62%	0.619	S	S	.	*			trans	-63.8	169.5	157.2	-40.6	-107	0	0	0	110.1	Q854	D842-Q854 VanDerWaalsContact OD1-CD 3.23Å; D842-Q854 PolarHBondContact OD1-NE2 3.41Å
843	S	28.4	Very low	29.4	Very low	76 Å²	76	107.8 Å²	107.8	53%	0.531	60%	0.6	S	S	.	*			cis	-131.1	-138.8	3.9	-52.6	0	0	0	0	108.9	N633 V634	N633-S843 CarbonylContact O-C 3.5Å; V634-S843 PolarHBondContact O-N 3.4Å
844	A	30.1	Very low	31	Very low	40 Å²	40	99.6 Å²	99.6	33%	0.331	57%	0.573	S	S	.	*			cis	-172.3	170.4	-8.3	0	0	0	0	0	108.3	N633	N633-A844 WeakPolarHBondContact O-CB 3.4Å; N633-A844 PolarHBondContact O-N 2.73Å
845	T	29.8	Very low	33.1	Very low	69 Å²	69	94 Å²	94	42%	0.423	55%	0.549	S	S	.	.			cis	-159.4	144.1	-22.4	25.5	0	0	0	0	110.4	V847	T845-V847 HydrophobicContact CG2-CG2 3.57Å
846	I	28.2	Very low	35.7	Very low	139 Å²	139	93.5 Å²	93.5	71%	0.713	54%	0.54	S	S	*	.	S	Bend	trans	-125.3	140.6	132.5	-56.5	177.1	0	0	0	104.7	W788	W788-I846 HydrophobicContact CE3-CD1 3.63Å; W788-I846 HydrophobicContact CH2-CD1 4.45Å; W788-I846 HydrophobicContact CZ3-CD1 3.54Å
847	V	29	Very low	38.3	Very low	49 Å²	49	90 Å²	90	30%	0.297	52%	0.518	S	S	.	.			trans	-119.4	138.9	-153.7	-167.2	0	0	0	0	114	H711 T845	H711-V847 WeakPolarHBondContact NE2-CG1 3.35Å; T845-V847 HydrophobicContact CG2-CG2 3.57Å
848	P	26.9	Very low	41.2	Very low	60 Å²	60	84.1 Å²	84.1	39%	0.39	48%	0.48	S	S	.	.			trans	-138.7	111.3	132.7	31.4	-14.3	0	0	0	114.1	G915 L917	P848-G915 VanDerWaalsContact O-CA 3.32Å; P848-G915 WeakPolarHBondContact O-CA 3.42Å; P848-L917 HydrophobicContact CG-CD1 3.92Å; P848-L917 HydrophobicContact CG-CG 4.25Å
849	K	27.9	Very low	44.4	Very low	159 Å²	159	77.9 Å²	77.9	69%	0.691	45%	0.446	S	S	*	.	S	Bend	trans	58.7	140.4	148.1	-58.4	173.1	-176.3	172.4	0	118.7	G915	K849-G915 WeakPolarHBondContact O-CA 3.14Å
850	S	31.1	Very low	47.5	Very low	61 Å²	61	77.2 Å²	77.2	43%	0.427	43%	0.434	S	S	.	.	S	Bend	trans	71.5	164.2	-177.8	-56.5	0	0	0	0	114.7	L852 A914	S850-L852 PolarHBondContact O-N 2.78Å; S850-A914 WeakPolarHBondContact CB-O 3.13Å
851	P	32.6	Very low	50.7	Low	107 Å²	107	70 Å²	70	70%	0.695	40%	0.403	S	S	*	.			trans	-74.9	119	177.6	-10.2	27.4	0	0	0	109.7	V853	P851-V853 PolarHBondContact O-N 3.03Å; P851-V853 VanDerWaalsContact O-N 3.08Å
852	L	40.6	Very low	53.9	Low	85 Å²	85	67.5 Å²	67.5	45%	0.445	38%	0.382	S	S	.	.			trans	-60	114.3	177.9	-74	168.9	0	0	0	110	S850 Q854 L916	S850-L852 PolarHBondContact O-N 2.78Å; L852-Q854 PolarHBondContact O-N 3.09Å; L852-L916 HydrophobicContact CD2-CD2 4Å
853	V	54.9	Low	57.2	Low	35 Å²	35	66.5 Å²	66.5	21%	0.212	38%	0.376	C	S	.	.			trans	-79.8	115.8	176.4	-151	0	0	0	0	107.2	P851 A857 L858 F861 L916	P851-V853 PolarHBondContact O-N 3.03Å; P851-V853 VanDerWaalsContact O-N 3.08Å; V853-A857 HydrophobicContact CG1-CB 3.52Å; V853-A857 VanDerWaalsContact CG1-O 3.24Å; V853-A857 WeakPolarHBondContact CG1-O 3.33Å; V853-L858 WeakPolarHBondContact O-CB 3.39Å; V853-F861 HydrophobicContact CG1-CB 4.31Å; V853-L916 HydrophobicContact CB-CD1 4.14Å; V853-L916 HydrophobicContact CG2-CD1 4.04Å; V853-L916 WeakPolarHBondContact O-CD2 3.38Å
854	Q	56.3	Low	60.4	Low	80 Å²	80	67.2 Å²	67.2	37%	0.374	37%	0.374	S	S	.	.			trans	-121.2	157	-174.3	-78.6	-179.9	58.4	0	0	113.1	D842 L852 K856 A857 L858	D842-Q854 VanDerWaalsContact OD1-CD 3.23Å; D842-Q854 PolarHBondContact OD1-NE2 3.41Å; L852-Q854 PolarHBondContact O-N 3.09Å; Q854-K856 PolarHBondContact O-N 3.39Å; Q854-A857 PolarHBondContact O-N 3.16Å; Q854-A857 VanDerWaalsContact O-N 3.1Å; Q854-L858 PolarHBondContact O-N 2.77Å
855	G	72.2	Confident	63.5	Low	26 Å²	26	66.3 Å²	66.3	27%	0.268	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	-127.4	179.7	0	0	0	0	0	113.1	A857 L858 Q859 D936	G855-A857 PolarHBondContact O-N 2.8Å; G855-A857 VanDerWaalsContact O-N 3.17Å; G855-L858 WeakPolarHBondContact O-CA 3.44Å; G855-L858 VanDerWaalsContact O-CB 3.27Å; G855-L858 WeakPolarHBondContact O-CB 3.38Å; G855-L858 PolarHBondContact O-N 2.81Å; G855-Q859 PolarHBondContact O-N 3.49Å; G855-Q859 VanDerWaalsContact O-N 3.08Å; G855-D936 PolarHBondContact N-OD2 3.48Å
856	K	78.4	Confident	66.7	Low	141 Å²	141	63 Å²	63	61%	0.613	34%	0.343	S	S	*	.	H	α-helix	trans	-58.6	-30.6	-179.2	-178	156.1	-173.7	148.4	0	114.5	Q854 L858 Q859 D860	Q854-K856 PolarHBondContact O-N 3.39Å; K856-L858 VanDerWaalsContact C-N 3.3Å; K856-L858 PolarHBondContact O-N 2.9Å; K856-Q859 WeakPolarHBondContact O-CB 3.44Å; K856-Q859 PolarHBondContact O-N 3.45Å; K856-D860 VanDerWaalsContact O-CG 3.26Å; K856-D860 PolarHBondContact O-N 2.98Å
857	A	81.5	Confident	69.9	Low	45 Å²	45	60 Å²	60	37%	0.372	33%	0.328	S	S	.	.	H	α-helix	trans	-69.4	-33.6	176.3	0	0	0	0	0	111.2	V853 Q854 G855 F861	V853-A857 HydrophobicContact CG1-CB 3.52Å; V853-A857 VanDerWaalsContact CG1-O 3.24Å; V853-A857 WeakPolarHBondContact CG1-O 3.33Å; Q854-A857 PolarHBondContact O-N 3.16Å; Q854-A857 VanDerWaalsContact O-N 3.1Å; G855-A857 PolarHBondContact O-N 2.8Å; G855-A857 VanDerWaalsContact O-N 3.17Å; A857-F861 WeakPolarHBondContact O-CB 3.18Å; A857-F861 PolarHBondContact O-N 2.82Å
858	L	87.6	Confident	73	Confident	3 Å²	3	61.7 Å²	61.7	2%	0.016	34%	0.335	C	S	.	.	H	α-helix	trans	-65.7	-45.3	173.5	-175.4	55.9	0	0	0	110.6	V853 Q854 G855 K856 D860 F861 V862 L916 L934 D936 V937	V853-L858 WeakPolarHBondContact O-CB 3.39Å; Q854-L858 PolarHBondContact O-N 2.77Å; G855-L858 WeakPolarHBondContact O-CA 3.44Å; G855-L858 VanDerWaalsContact O-CB 3.27Å; G855-L858 WeakPolarHBondContact O-CB 3.38Å; G855-L858 PolarHBondContact O-N 2.81Å; K856-L858 VanDerWaalsContact C-N 3.3Å; K856-L858 PolarHBondContact O-N 2.9Å; L858-D860 PolarHBondContact O-N 2.95Å; L858-F861 HydrophobicContact CD1-CD1 4.34Å; L858-F861 PolarHBondContact O-N 3.17Å; L858-V862 HydrophobicContact CD1-CG2 4.07Å; L858-V862 HydrophobicContact CG-CG2 4.36Å; L858-V862 WeakPolarHBondContact O-CB 3.46Å; L858-V862 VanDerWaalsContact O-CG2 3.24Å; L858-V862 WeakPolarHBondContact O-CG2 3.27Å; L858-V862 PolarHBondContact O-N 2.88Å; L858-L916 HydrophobicContact CD1-CD1 3.42Å; L858-L916 VanDerWaalsContact CD1-CD1 3.42Å; L858-L916 HydrophobicContact CD1-CD2 4.11Å; L858-L916 HydrophobicContact CD1-CG 4.35Å; L858-L934 HydrophobicContact CD1-CD1 4.33Å; L858-L934 HydrophobicContact CD2-CB 4.11Å; L858-D936 HydrophobicContact CD2-CB 4.19Å; L858-V937 HydrophobicContact CB-CG2 4.04Å; L858-V937 HydrophobicContact CD2-CB 4.01Å; L858-V937 HydrophobicContact CD2-CG2 3.84Å; L858-V937 HydrophobicContact CG-CB 4.16Å; L858-V937 HydrophobicContact CG-CG2 3.76Å
859	Q	91.9	Very high	76.2	Confident	39 Å²	39	61.7 Å²	61.7	18%	0.182	33%	0.332	C	S	.	.	H	α-helix	trans	-54.1	-52.2	173.8	177.8	-168.5	6.3	0	0	111.4	G855 K856 F861 V862 I863 A876 I890 V937	G855-Q859 PolarHBondContact O-N 3.49Å; G855-Q859 VanDerWaalsContact O-N 3.08Å; K856-Q859 WeakPolarHBondContact O-CB 3.44Å; K856-Q859 PolarHBondContact O-N 3.45Å; Q859-F861 PolarHBondContact O-N 2.95Å; Q859-V862 PolarHBondContact O-N 2.83Å; Q859-I863 HydrophobicContact CG-CD1 3.97Å; Q859-I863 VanDerWaalsContact O-CG1 3.29Å; Q859-I863 WeakPolarHBondContact O-CG1 3.45Å; Q859-I863 PolarHBondContact O-N 3.46Å; Q859-A876 HydrophobicContact CG-CB 4.36Å; Q859-I890 HydrophobicContact CG-CD1 4.28Å; Q859-V937 HydrophobicContact CB-CG2 4.34Å
860	D	91.6	Very high	79.3	Confident	87 Å²	87	59.6 Å²	59.6	47%	0.465	32%	0.323	S	S	.	.	H	α-helix	trans	-62.8	-41.1	-179.2	-66	-24.7	0	0	0	111.4	K856 L858 D864	K856-D860 VanDerWaalsContact O-CG 3.26Å; K856-D860 PolarHBondContact O-N 2.98Å; L858-D860 PolarHBondContact O-N 2.95Å; D860-D864 PolarHBondContact O-N 3.1Å; D860-D864 VanDerWaalsContact O-N 3.17Å
861	F	92.4	Very high	82.3	Confident	43 Å²	43	57 Å²	57	19%	0.189	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-44.9	175	168.4	-99.8	0	0	0	113	V853 A857 L858 Q859 D864 K865 E910 A914 L916	V853-F861 HydrophobicContact CG1-CB 4.31Å; A857-F861 WeakPolarHBondContact O-CB 3.18Å; A857-F861 PolarHBondContact O-N 2.82Å; L858-F861 HydrophobicContact CD1-CD1 4.34Å; L858-F861 PolarHBondContact O-N 3.17Å; Q859-F861 PolarHBondContact O-N 2.95Å; F861-D864 WeakPolarHBondContact O-CB 3.25Å; F861-D864 PolarHBondContact O-N 3.39Å; F861-K865 HydrophobicContact CE1-CG 4.17Å; F861-K865 HydrophobicContact CE2-CD 4.12Å; F861-K865 HydrophobicContact CE2-CG 4.11Å; F861-K865 HydrophobicContact CZ-CD 4.27Å; F861-K865 HydrophobicContact CZ-CG 3.9Å; F861-K865 WeakPolarHBondContact O-CG 3.36Å; F861-K865 PolarHBondContact O-N 3.08Å; F861-K865 VanDerWaalsContact O-N 3.08Å; F861-E910 HydrophobicContact CZ-CB 4.13Å; F861-A914 HydrophobicContact CE1-CB 4.28Å; F861-A914 HydrophobicContact CE2-CB 4.18Å; F861-A914 HydrophobicContact CZ-CB 3.73Å; F861-L916 HydrophobicContact CD1-CD1 4.31Å; F861-L916 HydrophobicContact CE1-CD1 4.17Å
862	V	94.5	Very high	85.3	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-66.4	-39.9	-179.6	169	0	0	0	0	111.2	L858 Q859 D864 K865 I866 I890 V907 L934 V939	L858-V862 HydrophobicContact CD1-CG2 4.07Å; L858-V862 HydrophobicContact CG-CG2 4.36Å; L858-V862 WeakPolarHBondContact O-CB 3.46Å; L858-V862 VanDerWaalsContact O-CG2 3.24Å; L858-V862 WeakPolarHBondContact O-CG2 3.27Å; L858-V862 PolarHBondContact O-N 2.88Å; Q859-V862 PolarHBondContact O-N 2.83Å; V862-D864 VanDerWaalsContact C-N 3.33Å; V862-D864 PolarHBondContact O-N 3.22Å; V862-K865 PolarHBondContact O-N 2.84Å; V862-I866 HydrophobicContact CG1-CD1 3.84Å; V862-I866 HydrophobicContact CG1-CG1 4.5Å; V862-I866 VanDerWaalsContact O-CG1 3.28Å; V862-I866 WeakPolarHBondContact O-CG1 3.41Å; V862-I866 PolarHBondContact O-N 3.22Å; V862-I890 HydrophobicContact CB-CD1 3.99Å; V862-I890 HydrophobicContact CG1-CD1 3.63Å; V862-V907 HydrophobicContact CG1-CG1 4.35Å; V862-L934 HydrophobicContact CG2-CD1 3.51Å; V862-V939 HydrophobicContact CG1-CG2 3.52Å
863	I	95.9	Very high	87.8	Confident	52 Å²	52	57.6 Å²	57.6	27%	0.267	30%	0.301	S	S	.	.	H	α-helix	trans	-61.7	-42.6	175.2	-68.3	168	0	0	0	110.8	Q859 K865 I866 D867 I874 A876 I890	Q859-I863 HydrophobicContact CG-CD1 3.97Å; Q859-I863 VanDerWaalsContact O-CG1 3.29Å; Q859-I863 WeakPolarHBondContact O-CG1 3.45Å; Q859-I863 PolarHBondContact O-N 3.46Å; I863-K865 PolarHBondContact O-N 3.44Å; I863-I866 PolarHBondContact O-N 3.43Å; I863-D867 PolarHBondContact O-N 2.92Å; I863-I874 HydrophobicContact CG1-CG2 4.29Å; I863-I874 HydrophobicContact CG2-CG2 4.42Å; I863-A876 HydrophobicContact CD1-CB 4.23Å; I863-I890 HydrophobicContact CG1-CD1 4.05Å
864	D	94.7	Very high	89.7	Confident	91 Å²	91	58.3 Å²	58.3	49%	0.487	30%	0.303	S	S	.	.	H	α-helix	trans	-58.8	-44	175.4	-169.1	68.8	0	0	0	111.4	D860 F861 V862 I866 D867 D868	D860-D864 PolarHBondContact O-N 3.1Å; D860-D864 VanDerWaalsContact O-N 3.17Å; F861-D864 WeakPolarHBondContact O-CB 3.25Å; F861-D864 PolarHBondContact O-N 3.39Å; V862-D864 VanDerWaalsContact C-N 3.33Å; V862-D864 PolarHBondContact O-N 3.22Å; D864-I866 VanDerWaalsContact C-N 3.33Å; D864-I866 PolarHBondContact O-N 3.08Å; D864-D867 PolarHBondContact O-N 2.94Å; D864-D868 PolarHBondContact O-N 3.16Å
865	K	95.6	Very high	91.5	Very high	20 Å²	20	57.7 Å²	57.7	9%	0.087	30%	0.301	C	S	.	.	H	α-helix	trans	-69.8	-26.9	177.5	-61.3	-43.2	95.9	-154.7	0	113.4	F861 V862 I863 D868 H906 V907 E910	F861-K865 HydrophobicContact CE1-CG 4.17Å; F861-K865 HydrophobicContact CE2-CD 4.12Å; F861-K865 HydrophobicContact CE2-CG 4.11Å; F861-K865 HydrophobicContact CZ-CD 4.27Å; F861-K865 HydrophobicContact CZ-CG 3.9Å; F861-K865 WeakPolarHBondContact O-CG 3.36Å; F861-K865 PolarHBondContact O-N 3.08Å; F861-K865 VanDerWaalsContact O-N 3.08Å; V862-K865 PolarHBondContact O-N 2.84Å; I863-K865 PolarHBondContact O-N 3.44Å; K865-D868 IonicContact NZ-OD2 3.84Å; K865-D868 PolarHBondContact NZ-OD2 3.27Å; K865-H906 PolarHBondContact O-CD2 3.45Å; K865-V907 HydrophobicContact CB-CG2 4.23Å; K865-E910 HydrophobicContact CD-CB 3.7Å; K865-E910 HydrophobicContact CD-CG 3.7Å; K865-E910 HydrophobicContact CG-CB 3.76Å; K865-E910 HydrophobicContact CG-CG 4.16Å
866	I	96.4	Very high	92.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-75.8	-39	174.3	-65.3	163.6	0	0	0	110.8	V862 I863 D864 K870 G871 I874 I890 C892 I903 V907 V939	V862-I866 HydrophobicContact CG1-CD1 3.84Å; V862-I866 HydrophobicContact CG1-CG1 4.5Å; V862-I866 VanDerWaalsContact O-CG1 3.28Å; V862-I866 WeakPolarHBondContact O-CG1 3.41Å; V862-I866 PolarHBondContact O-N 3.22Å; I863-I866 PolarHBondContact O-N 3.43Å; D864-I866 VanDerWaalsContact C-N 3.33Å; D864-I866 PolarHBondContact O-N 3.08Å; I866-K870 PolarHBondContact O-N 2.84Å; I866-G871 PolarHBondContact O-N 2.77Å; I866-I874 HydrophobicContact CB-CD1 4.09Å; I866-I874 HydrophobicContact CG2-CD1 3.55Å; I866-I874 HydrophobicContact CG2-CG1 3.84Å; I866-I890 HydrophobicContact CD1-CG2 3.8Å; I866-C892 HydrophobicContact CG2-CB 3.83Å; I866-I903 HydrophobicContact CB-CG2 4.5Å; I866-I903 HydrophobicContact CG1-CG2 4.12Å; I866-I903 HydrophobicContact CG2-CG2 4.17Å; I866-V907 HydrophobicContact CG1-CG2 3.71Å; I866-V939 HydrophobicContact CD1-CG1 3.78Å
867	D	95	Very high	93.1	Very high	76 Å²	76	52.7 Å²	52.7	41%	0.406	28%	0.28	S	S	.	.	H	α-helix	trans	-70.2	-32.6	174.6	-173.3	63.9	0	0	0	112.1	I863 D864 L869 K870 I874	I863-D867 PolarHBondContact O-N 2.92Å; D864-D867 PolarHBondContact O-N 2.94Å; D867-L869 PolarHBondContact O-N 2.9Å; D867-L869 VanDerWaalsContact O-N 3.09Å; D867-K870 VanDerWaalsContact CG-NZ 3.27Å; D867-K870 WeakPolarHBondContact O-CA 3.35Å; D867-K870 WeakPolarHBondContact O-CD 3.27Å; D867-K870 WeakPolarHBondContact O-CE 3.38Å; D867-K870 PolarHBondContact O-N 2.83Å; D867-K870 PolarHBondContact O-NZ 3.45Å; D867-K870 IonicContact OD1-NZ 3.7Å; D867-K870 PolarHBondContact OD1-NZ 2.92Å; D867-K870 IonicContact OD2-NZ 3.41Å; D867-K870 PolarHBondContact OD2-NZ 3.07Å; D867-I874 HydrophobicContact CB-CD1 4.42Å
868	D	94.2	Very high	93.5	Very high	85 Å²	85	56 Å²	56	46%	0.455	29%	0.292	S	S	.	.	H	α-helix	trans	-49.5	-39.8	176.1	-91.4	-37	0	0	0	112.9	D864 K865	D864-D868 PolarHBondContact O-N 3.16Å; K865-D868 IonicContact NZ-OD2 3.84Å; K865-D868 PolarHBondContact NZ-OD2 3.27Å
869	L	94.7	Very high	93.4	Very high	60 Å²	60	55.9 Å²	55.9	31%	0.314	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	3.3	173.5	-65.5	-169.6	0	0	0	115.4	D867 H899 S902 I903 H906	D867-L869 PolarHBondContact O-N 2.9Å; D867-L869 VanDerWaalsContact O-N 3.09Å; L869-H899 PolarHBondContact O-NE2 3.39Å; L869-S902 WeakPolarHBondContact CD1-O 3.35Å; L869-S902 WeakPolarHBondContact CD1-OG 3.43Å; L869-I903 HydrophobicContact CB-CG1 4.23Å; L869-H906 HydrophobicContact CD1-CB 3.47Å; L869-H906 VanDerWaalsContact CD1-CB 3.47Å; L869-H906 HydrophobicContact CG-CB 4.21Å
870	K	93.8	Very high	92.8	Very high	114 Å²	114	59.9 Å²	59.9	50%	0.496	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	44.2	175.3	-53.8	-71.1	165.8	-108.1	0	113.5	I866 D867 H899	I866-K870 PolarHBondContact O-N 2.84Å; D867-K870 VanDerWaalsContact CG-NZ 3.27Å; D867-K870 WeakPolarHBondContact O-CA 3.35Å; D867-K870 WeakPolarHBondContact O-CD 3.27Å; D867-K870 WeakPolarHBondContact O-CE 3.38Å; D867-K870 PolarHBondContact O-N 2.83Å; D867-K870 PolarHBondContact O-NZ 3.45Å; D867-K870 IonicContact OD1-NZ 3.7Å; D867-K870 PolarHBondContact OD1-NZ 2.92Å; D867-K870 IonicContact OD2-NZ 3.41Å; D867-K870 PolarHBondContact OD2-NZ 3.07Å; K870-H899 PolarHBondContact O-CE1 2.95Å
871	G	93.6	Very high	92	Very high	7 Å²	7	59.6 Å²	59.6	7%	0.072	33%	0.327	C	S	.	.			trans	-57.4	139	162	0	0	0	0	0	111.3	I866	I866-G871 PolarHBondContact O-N 2.77Å
872	Q	94.4	Very high	91.2	Very high	96 Å²	96	63.1 Å²	63.1	45%	0.449	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	156.6	-171.8	-62.3	-175.3	-29.5	0	0	111.6	I874 T893 T895	Q872-I874 VanDerWaalsContact C-N 3.27Å; Q872-I874 PolarHBondContact O-N 3.37Å; Q872-I874 VanDerWaalsContact O-N 3.14Å; Q872-T893 PolarHBondContact N-O 3.05Å; Q872-T893 PolarHBondContact O-N 2.9Å; Q872-T895 HydrophobicContact CG-CG2 4.45Å
873	D	93.5	Very high	90	Very high	109 Å²	109	64.2 Å²	64.2	58%	0.583	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	47.5	46.8	172.6	-57.4	-49	0	0	0	113.7	I875 R947	D873-I875 PolarHBondContact O-N 2.9Å; D873-R947 VanDerWaalsContact O-CZ 3.3Å; D873-R947 PolarHBondContact O-NH1 2.7Å; D873-R947 PolarHBondContact O-NH2 3.3Å
874	I	95.9	Very high	89	Confident	50 Å²	50	67.7 Å²	67.7	26%	0.256	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	117.8	-178.1	-47.7	172	0	0	0	109	I863 I866 D867 Q872 I890 I891 C892	I863-I874 HydrophobicContact CG1-CG2 4.29Å; I863-I874 HydrophobicContact CG2-CG2 4.42Å; I866-I874 HydrophobicContact CB-CD1 4.09Å; I866-I874 HydrophobicContact CG2-CD1 3.55Å; I866-I874 HydrophobicContact CG2-CG1 3.84Å; D867-I874 HydrophobicContact CB-CD1 4.42Å; Q872-I874 VanDerWaalsContact C-N 3.27Å; Q872-I874 PolarHBondContact O-N 3.37Å; Q872-I874 VanDerWaalsContact O-N 3.14Å; I874-I890 HydrophobicContact CG2-CG2 4.05Å; I874-I891 WeakPolarHBondContact CA-O 3.23Å; I874-C892 HydrophobicContact CB-CB 4.43Å; I874-C892 HydrophobicContact CG1-CB 4Å; I874-C892 HydrophobicContact CG2-CB 4.46Å
875	I	94.1	Very high	88.1	Confident	66 Å²	66	68.5 Å²	68.5	34%	0.338	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.8	176.3	-63.8	178.3	0	0	0	108.2	D873 L877 I890 I891 E953	D873-I875 PolarHBondContact O-N 2.9Å; I875-L877 HydrophobicContact CG2-CD2 3.65Å; I875-L877 HydrophobicContact CG2-CG 4.05Å; I875-I890 CarbonylContact O-C 3.42Å; I875-I890 WeakPolarHBondContact O-CA 3.39Å; I875-I891 PolarHBondContact N-O 2.82Å; I875-I891 PolarHBondContact O-N 3.46Å; I875-E953 HydrophobicContact CD1-CG 4.08Å
876	A	93.4	Very high	87.7	Confident	37 Å²	37	68 Å²	68	31%	0.306	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.5	169.8	0	0	0	0	0	109.7	Q859 I863 I890	Q859-A876 HydrophobicContact CG-CB 4.36Å; I863-A876 HydrophobicContact CD1-CB 4.23Å; A876-I890 HydrophobicContact CB-CG1 4.06Å
877	L	91.3	Very high	87.2	Confident	25 Å²	25	71 Å²	71	13%	0.131	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.7	-175.3	-57.8	174.3	0	0	0	109.1	I875 V879 C888 M889 I891 W956	I875-L877 HydrophobicContact CG2-CD2 3.65Å; I875-L877 HydrophobicContact CG2-CG 4.05Å; L877-V879 PolarHBondContact O-N 2.93Å; L877-C888 WeakPolarHBondContact O-CA 3.46Å; L877-M889 HydrophobicContact CB-CB 4.46Å; L877-M889 WeakPolarHBondContact CB-O 3.41Å; L877-M889 PolarHBondContact N-O 2.99Å; L877-M889 PolarHBondContact O-N 3.34Å; L877-I891 HydrophobicContact CD1-CD1 3.65Å; L877-W956 HydrophobicContact CD1-CB 4.14Å
878	D	88.4	Confident	87	Confident	116 Å²	116	67.9 Å²	67.9	62%	0.62	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	119.8	169.5	-168.3	-22.6	0	0	0	109.1	Q880	D878-Q880 WeakPolarHBondContact OD1-CB 3.44Å; D878-Q880 PolarHBondContact OD1-N 3.32Å
879	V	86.8	Confident	86.9	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	36%	0.363	C	S	.	.			trans	-122.6	11.4	178.3	-62.7	0	0	0	0	112.2	L877 G881 K882 S883 T886 D887 M889 W956	L877-V879 PolarHBondContact O-N 2.93Å; V879-G881 PolarHBondContact O-N 2.77Å; V879-K882 HydrophobicContact CB-CB 4.37Å; V879-K882 CarbonylContact O-C 3.57Å; V879-K882 WeakPolarHBondContact O-CA 3.47Å; V879-K882 WeakPolarHBondContact O-CB 3.16Å; V879-K882 PolarHBondContact O-N 3.02Å; V879-S883 PolarHBondContact O-N 3.14Å; V879-T886 HydrophobicContact CG2-CG2 3.88Å; V879-T886 WeakPolarHBondContact CG2-O 3.46Å; V879-D887 CarbonylContact C-O 3.55Å; V879-D887 WeakPolarHBondContact CG2-O 3.42Å; V879-D887 PolarHBondContact N-O 3.35Å; V879-M889 HydrophobicContact CG1-CG 4.23Å; V879-M889 HydrophobicContact CG1-SD 4.02Å; V879-M889 HydrophobicContact CG2-CG 3.85Å; V879-M889 HydrophobicContact CG2-SD 4.19Å; V879-W956 HydrophobicContact CB-CE3 4.34Å; V879-W956 HydrophobicContact CG1-CB 4.09Å; V879-W956 HydrophobicContact CG1-CD2 3.86Å; V879-W956 HydrophobicContact CG1-CE3 3.73Å; V879-W956 HydrophobicContact CG1-CG 4.05Å; V879-W956 HydrophobicContact CG1-CZ3 4.38Å
880	Q	78.8	Confident	87	Confident	122 Å²	122	61.8 Å²	61.8	57%	0.57	35%	0.348	S	S	*	.	B	Isolated β-bridge	trans	-58.3	128.5	174.6	-176.3	160.9	87.9	0	0	109.5	D878 K882 D887	D878-Q880 WeakPolarHBondContact OD1-CB 3.44Å; D878-Q880 PolarHBondContact OD1-N 3.32Å; Q880-K882 PolarHBondContact O-N 3.49Å; Q880-D887 WeakPolarHBondContact CG-OD1 3.42Å; Q880-D887 PolarHBondContact N-O 2.96Å; Q880-D887 PolarHBondContact NE2-OD1 2.96Å; Q880-D887 PolarHBondContact NE2-OD2 2.76Å
881	G	73.6	Confident	87.1	Confident	81 Å²	81	56.3 Å²	56.3	84%	0.835	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	-21.6	-173.7	0	0	0	0	0	115.8	V879	V879-G881 PolarHBondContact O-N 2.77Å
882	K	76.5	Confident	87.2	Confident	117 Å²	117	56 Å²	56	51%	0.509	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-30.8	168	-64.3	177.9	171.4	177.8	0	111.8	V879 Q880 W956 S957	V879-K882 HydrophobicContact CB-CB 4.37Å; V879-K882 CarbonylContact O-C 3.57Å; V879-K882 WeakPolarHBondContact O-CA 3.47Å; V879-K882 WeakPolarHBondContact O-CB 3.16Å; V879-K882 PolarHBondContact O-N 3.02Å; Q880-K882 PolarHBondContact O-N 3.49Å; K882-W956 HydrophobicContact CB-CE3 4.36Å; K882-W956 HydrophobicContact CB-CZ3 4.31Å; K882-W956 PolarHBondContact NZ-O 2.86Å; K882-S957 PolarHBondContact NZ-O 3.48Å
883	S	70.4	Confident	87.3	Confident	24 Å²	24	51.7 Å²	51.7	17%	0.168	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-127.6	157.1	-179.4	-169.8	0	0	0	0	110.6	V879 I885	V879-S883 PolarHBondContact O-N 3.14Å; S883-I885 PolarHBondContact OG-N 3.25Å
884	S	74.4	Confident	87.4	Confident	126 Å²	126	46.5 Å²	46.5	88%	0.881	27%	0.274	S	S	*	.	S	Bend	trans	-115.8	17.9	169.5	73.8	0	0	0	0	112.2
885	I	76.3	Confident	87.3	Confident	108 Å²	108	48.2 Å²	48.2	55%	0.554	29%	0.287	S	S	*	.	S	Bend	trans	-104.7	-40.7	-174.4	-54.5	174.8	0	0	0	110.5	S883 I938	S883-I885 PolarHBondContact OG-N 3.25Å; I885-I938 HydrophobicContact CG2-CD1 3.93Å
886	T	85.8	Confident	87.3	Confident	10 Å²	10	47.4 Å²	47.4	6%	0.061	29%	0.287	C	S	.	.			trans	-156	160.8	-176.1	-168.3	0	0	0	0	108.3	V879 C888 M889 G935 D936 V937 I938	V879-T886 HydrophobicContact CG2-CG2 3.88Å; V879-T886 WeakPolarHBondContact CG2-O 3.46Å; T886-C888 PolarHBondContact OG1-O 3.12Å; T886-M889 HydrophobicContact CG2-CG 3.68Å; T886-M889 HydrophobicContact CG2-SD 4.46Å; T886-G935 VanDerWaalsContact CB-O 3.27Å; T886-G935 WeakPolarHBondContact CB-O 3.41Å; T886-G935 PolarHBondContact OG1-O 3.19Å; T886-D936 PolarHBondContact OG1-O 3.19Å; T886-D936 VanDerWaalsContact OG1-O 3.07Å; T886-V937 WeakPolarHBondContact OG1-CA 3.45Å; T886-V937 PolarHBondContact OG1-N 3.43Å; T886-I938 HydrophobicContact CG2-CB 4.24Å; T886-I938 HydrophobicContact CG2-CD1 3.81Å; T886-I938 HydrophobicContact CG2-CG1 3.96Å; T886-I938 PolarHBondContact OG1-N 3.5Å
887	D	86.3	Confident	87.2	Confident	61 Å²	61	48.3 Å²	48.3	33%	0.326	29%	0.291	S	S	.	.	S	Bend	trans	-88.4	-32.8	175.5	-83.1	-28.7	0	0	0	112	V879 Q880 D936	V879-D887 CarbonylContact C-O 3.55Å; V879-D887 WeakPolarHBondContact CG2-O 3.42Å; V879-D887 PolarHBondContact N-O 3.35Å; Q880-D887 WeakPolarHBondContact CG-OD1 3.42Å; Q880-D887 PolarHBondContact N-O 2.96Å; Q880-D887 PolarHBondContact NE2-OD1 2.96Å; Q880-D887 PolarHBondContact NE2-OD2 2.76Å; D887-D936 PolarHBondContact N-O 3.25Å
888	C	90.4	Very high	87.2	Confident	11 Å²	11	57.3 Å²	57.3	7%	0.074	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.9	-176.9	177.5	0	0	0	0	112.5	L877 T886 D936 V937 I938	L877-C888 WeakPolarHBondContact O-CA 3.46Å; T886-C888 PolarHBondContact OG1-O 3.12Å; C888-D936 PolarHBondContact N-O 3.27Å; C888-V937 HydrophobicContact CB-CG2 4.26Å; C888-V937 WeakPolarHBondContact O-CA 3.36Å; C888-I938 PolarHBondContact O-N 2.91Å
889	M	93.2	Very high	87.5	Confident	17 Å²	17	53.4 Å²	53.4	8%	0.084	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	117.9	173.4	-64.9	179.2	72.4	0	0	110.4	L877 V879 T886 I938 H940 W956	L877-M889 HydrophobicContact CB-CB 4.46Å; L877-M889 WeakPolarHBondContact CB-O 3.41Å; L877-M889 PolarHBondContact N-O 2.99Å; L877-M889 PolarHBondContact O-N 3.34Å; V879-M889 HydrophobicContact CG1-CG 4.23Å; V879-M889 HydrophobicContact CG1-SD 4.02Å; V879-M889 HydrophobicContact CG2-CG 3.85Å; V879-M889 HydrophobicContact CG2-SD 4.19Å; T886-M889 HydrophobicContact CG2-CG 3.68Å; T886-M889 HydrophobicContact CG2-SD 4.46Å; M889-I938 CarbonylContact C-O 3.57Å; M889-I938 WeakPolarHBondContact CA-O 3.33Å; M889-H940 WeakPolarHBondContact CE-NE2 3.46Å; M889-W956 HydrophobicContact CE-CZ2 4.36Å; M889-W956 HydrophobicContact SD-CD2 4.14Å; M889-W956 VanDerWaalsContact SD-CE2 3.53Å; M889-W956 HydrophobicContact SD-CG 4.41Å; M889-W956 HydrophobicContact SD-CZ2 3.77Å; M889-W956 PolarHBondContact SD-NE1 3.07Å
890	I	95.4	Very high	88	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	136.9	176.5	-60.9	173.2	0	0	0	108.9	Q859 V862 I863 I866 I874 I875 A876 V937 I938 V939 H940	Q859-I890 HydrophobicContact CG-CD1 4.28Å; V862-I890 HydrophobicContact CB-CD1 3.99Å; V862-I890 HydrophobicContact CG1-CD1 3.63Å; I863-I890 HydrophobicContact CG1-CD1 4.05Å; I866-I890 HydrophobicContact CD1-CG2 3.8Å; I874-I890 HydrophobicContact CG2-CG2 4.05Å; I875-I890 CarbonylContact O-C 3.42Å; I875-I890 WeakPolarHBondContact O-CA 3.39Å; A876-I890 HydrophobicContact CB-CG1 4.06Å; I890-V937 HydrophobicContact CD1-CG1 3.57Å; I890-V937 HydrophobicContact CG1-CG1 4.05Å; I890-I938 PolarHBondContact N-O 3.49Å; I890-V939 HydrophobicContact CB-CG1 4.48Å; I890-V939 HydrophobicContact CG2-CG1 4.41Å; I890-V939 CarbonylContact O-C 3.59Å; I890-V939 WeakPolarHBondContact O-CA 3.15Å; I890-H940 PolarHBondContact O-N 3.18Å
891	I	96	Very high	88.7	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.7	178.3	-54.3	164.6	0	0	0	108.8	I874 I875 L877 H940 M942 L952 E953	I874-I891 WeakPolarHBondContact CA-O 3.23Å; I875-I891 PolarHBondContact N-O 2.82Å; I875-I891 PolarHBondContact O-N 3.46Å; L877-I891 HydrophobicContact CD1-CD1 3.65Å; I891-H940 WeakPolarHBondContact CA-O 3.24Å; I891-H940 HydrophobicContact CG1-CB 4.24Å; I891-M942 HydrophobicContact CG2-SD 4.06Å; I891-L952 HydrophobicContact CD1-CB 3.78Å; I891-E953 HydrophobicContact CD1-CG 3.99Å
892	C	97	Very high	89.7	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	152.4	175.3	64.7	0	0	0	0	112.6	I866 I874 H940 M942	I866-C892 HydrophobicContact CG2-CB 3.83Å; I874-C892 HydrophobicContact CB-CB 4.43Å; I874-C892 HydrophobicContact CG1-CB 4Å; I874-C892 HydrophobicContact CG2-CB 4.46Å; C892-H940 PolarHBondContact N-O 2.75Å; C892-M942 PolarHBondContact O-N 3.32Å
893	T	96.4	Very high	90.7	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.6	179	-59.4	0	0	0	0	111.1	Q872 M942 E944 R947	Q872-T893 PolarHBondContact N-O 3.05Å; Q872-T893 PolarHBondContact O-N 2.9Å; T893-M942 CarbonylContact C-O 3.59Å; T893-M942 VanDerWaalsContact CA-O 3.24Å; T893-M942 WeakPolarHBondContact CA-O 3.32Å; T893-E944 HydrophobicContact CG2-CB 4.14Å; T893-R947 WeakPolarHBondContact OG1-CD 3.08Å; T893-R947 PolarHBondContact OG1-NH1 3.08Å
894	G	95.5	Very high	91.9	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.01	23%	0.233	C	C	.	.			trans	-98.3	139.2	165.9	0	0	0	0	0	111.5	S896 M942	G894-S896 VanDerWaalsContact C-N 3.28Å; G894-S896 PolarHBondContact O-N 2.73Å; G894-M942 PolarHBondContact N-O 2.9Å
895	T	93.8	Very high	92.9	Very high	85 Å²	85	39.3 Å²	39.3	52%	0.521	21%	0.208	S	C	.	.	S	Bend	trans	-78.6	-1.8	-171.8	61.6	0	0	0	0	115.6	Q872 H899	Q872-T895 HydrophobicContact CG-CG2 4.45Å; T895-H899 PolarHBondContact N-ND1 3.27Å; T895-H899 VanDerWaalsContact N-ND1 3.19Å; T895-H899 PolarHBondContact OG1-ND1 2.77Å
896	S	93.4	Very high	93.9	Very high	49 Å²	49	35.8 Å²	35.8	34%	0.343	19%	0.189	S	C	.	.	S	Bend	trans	-171.5	165.7	174.9	60.4	0	0	0	0	109.9	G894 R898 H899 V900	G894-S896 VanDerWaalsContact C-N 3.28Å; G894-S896 PolarHBondContact O-N 2.73Å; S896-R898 PolarHBondContact O-N 2.88Å; S896-H899 WeakPolarHBondContact O-CA 3.48Å; S896-H899 WeakPolarHBondContact O-CB 3.48Å; S896-H899 PolarHBondContact O-N 3.14Å; S896-H899 PolarHBondContact OG-N 2.87Å; S896-V900 PolarHBondContact O-N 2.79Å
897	S	90.7	Very high	94.3	Very high	56 Å²	56	35.4 Å²	35.4	39%	0.392	19%	0.187	S	C	.	.	H	α-helix	trans	-52.7	-39.9	177.4	-52.6	0	0	0	0	113.9	H899 V900 M901 A927 Q943	S897-H899 VanDerWaalsContact C-N 3.32Å; S897-H899 PolarHBondContact O-N 2.82Å; S897-V900 PolarHBondContact O-N 2.89Å; S897-M901 WeakPolarHBondContact O-CB 3.37Å; S897-M901 PolarHBondContact O-N 3.14Å; S897-A927 VanDerWaalsContact CA-O 3.31Å; S897-A927 WeakPolarHBondContact CA-O 3.45Å; S897-Q943 PolarHBondContact OG-NE2 2.87Å
898	R	91.6	Very high	94.7	Very high	215 Å²	215	32.9 Å²	32.9	81%	0.811	17%	0.174	S	C	*	.	H	α-helix	trans	-68.1	-33.1	177.2	-174.7	179.2	-66.2	158.7	1.2	112.2	S896 S902	S896-R898 PolarHBondContact O-N 2.88Å; R898-S902 VanDerWaalsContact O-CB 3.3Å; R898-S902 WeakPolarHBondContact O-CB 3.45Å; R898-S902 PolarHBondContact O-N 2.75Å
899	H	95.9	Very high	94.8	Very high	33 Å²	33	37.4 Å²	37.4	15%	0.153	19%	0.194	C	C	.	.	H	α-helix	trans	-74.1	-43.2	177.5	-170.1	-175	0	0	0	110.8	L869 K870 T895 S896 S897 M901 S902 I903	L869-H899 PolarHBondContact O-NE2 3.39Å; K870-H899 PolarHBondContact O-CE1 2.95Å; T895-H899 PolarHBondContact N-ND1 3.27Å; T895-H899 VanDerWaalsContact N-ND1 3.19Å; T895-H899 PolarHBondContact OG1-ND1 2.77Å; S896-H899 WeakPolarHBondContact O-CA 3.48Å; S896-H899 WeakPolarHBondContact O-CB 3.48Å; S896-H899 PolarHBondContact O-N 3.14Å; S896-H899 PolarHBondContact OG-N 2.87Å; S897-H899 VanDerWaalsContact C-N 3.32Å; S897-H899 PolarHBondContact O-N 2.82Å; H899-M901 PolarHBondContact O-N 2.87Å; H899-S902 PolarHBondContact O-N 3.17Å; H899-I903 WeakPolarHBondContact O-CG1 3.42Å; H899-I903 PolarHBondContact O-N 2.97Å
900	V	96.1	Very high	94.8	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56.3	-50.1	172.8	168.5	0	0	0	0	111.2	S896 S897 S902 I903 A904 I930 V941 Q943	S896-V900 PolarHBondContact O-N 2.79Å; S897-V900 PolarHBondContact O-N 2.89Å; V900-S902 PolarHBondContact O-N 2.66Å; V900-I903 PolarHBondContact O-N 3Å; V900-A904 PolarHBondContact O-N 2.88Å; V900-I930 HydrophobicContact CG1-CB 4.24Å; V900-I930 HydrophobicContact CG1-CD1 3.88Å; V900-I930 HydrophobicContact CG1-CG1 3.83Å; V900-V941 HydrophobicContact CB-CG1 4.16Å; V900-V941 HydrophobicContact CG1-CB 4.2Å; V900-V941 HydrophobicContact CG1-CG1 3.88Å; V900-V941 HydrophobicContact CG2-CG1 4.23Å; V900-Q943 HydrophobicContact CG2-CG 3.63Å
901	M	94.3	Very high	94.5	Very high	51 Å²	51	40 Å²	40	25%	0.251	21%	0.206	S	C	.	.	H	α-helix	trans	-55.6	-52.1	173.7	-173.8	65.7	73.1	0	0	111.7	S897 H899 I903 A904 D905 E924 A927 I930	S897-M901 WeakPolarHBondContact O-CB 3.37Å; S897-M901 PolarHBondContact O-N 3.14Å; H899-M901 PolarHBondContact O-N 2.87Å; M901-I903 VanDerWaalsContact C-N 3.33Å; M901-I903 PolarHBondContact O-N 3.35Å; M901-A904 PolarHBondContact O-N 3.31Å; M901-A904 VanDerWaalsContact O-N 3.15Å; M901-D905 WeakPolarHBondContact O-CB 3.31Å; M901-D905 PolarHBondContact O-N 3.17Å; M901-E924 HydrophobicContact CE-CB 3.97Å; M901-E924 WeakPolarHBondContact CE-O 3.49Å; M901-E924 HydrophobicContact SD-CG 4.44Å; M901-A927 HydrophobicContact CE-CB 4.18Å; M901-I930 HydrophobicContact CB-CD1 4.33Å; M901-I930 HydrophobicContact CE-CD1 4.05Å; M901-I930 HydrophobicContact SD-CD1 3.82Å
902	S	95.4	Very high	94	Very high	53 Å²	53	47.1 Å²	47.1	37%	0.371	23%	0.232	S	C	.	.	H	α-helix	trans	-61.3	-36.8	-175.9	-164.4	0	0	0	0	113.5	L869 R898 H899 V900 H906	L869-S902 WeakPolarHBondContact CD1-O 3.35Å; L869-S902 WeakPolarHBondContact CD1-OG 3.43Å; R898-S902 VanDerWaalsContact O-CB 3.3Å; R898-S902 WeakPolarHBondContact O-CB 3.45Å; R898-S902 PolarHBondContact O-N 2.75Å; H899-S902 PolarHBondContact O-N 3.17Å; V900-S902 PolarHBondContact O-N 2.66Å; S902-H906 WeakPolarHBondContact O-CB 3.21Å; S902-H906 PolarHBondContact O-N 3.48Å; S902-H906 VanDerWaalsContact O-N 3.08Å
903	I	96.7	Very high	93.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.6	-49.5	175	-66.3	160.8	0	0	0	109.9	I866 L869 H899 V900 M901 H906 V907 V941	I866-I903 HydrophobicContact CB-CG2 4.5Å; I866-I903 HydrophobicContact CG1-CG2 4.12Å; I866-I903 HydrophobicContact CG2-CG2 4.17Å; L869-I903 HydrophobicContact CB-CG1 4.23Å; H899-I903 WeakPolarHBondContact O-CG1 3.42Å; H899-I903 PolarHBondContact O-N 2.97Å; V900-I903 PolarHBondContact O-N 3Å; M901-I903 VanDerWaalsContact C-N 3.33Å; M901-I903 PolarHBondContact O-N 3.35Å; I903-H906 PolarHBondContact O-N 3.03Å; I903-V907 HydrophobicContact CG2-CG2 4.45Å; I903-V907 WeakPolarHBondContact O-CG2 3.24Å; I903-V907 PolarHBondContact O-N 3.08Å; I903-V941 HydrophobicContact CB-CG1 3.88Å; I903-V941 HydrophobicContact CB-CG2 4.47Å; I903-V941 HydrophobicContact CD1-CG1 3.94Å; I903-V941 HydrophobicContact CG2-CG1 3.93Å; I903-V941 HydrophobicContact CG2-CG2 3.85Å
904	A	96.2	Very high	92.5	Very high	3 Å²	3	50.9 Å²	50.9	3%	0.025	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-46.9	-179.2	0	0	0	0	0	112	V900 M901 H906 V907 V908 I930 V932 V941	V900-A904 PolarHBondContact O-N 2.88Å; M901-A904 PolarHBondContact O-N 3.31Å; M901-A904 VanDerWaalsContact O-N 3.15Å; A904-H906 VanDerWaalsContact C-N 3.29Å; A904-H906 PolarHBondContact O-N 3.08Å; A904-V907 PolarHBondContact O-N 3.47Å; A904-V908 WeakPolarHBondContact O-CB 3.41Å; A904-V908 VanDerWaalsContact O-CG2 3.27Å; A904-V908 WeakPolarHBondContact O-CG2 3.22Å; A904-V908 PolarHBondContact O-N 3.32Å; A904-I930 HydrophobicContact CB-CB 4.08Å; A904-I930 HydrophobicContact CB-CD1 4.12Å; A904-I930 HydrophobicContact CB-CG2 3.51Å; A904-V932 HydrophobicContact CB-CG2 4.08Å; A904-V941 HydrophobicContact CB-CG2 4.29Å
905	D	94.8	Very high	91.2	Very high	67 Å²	67	51 Å²	51	36%	0.358	27%	0.266	S	S	.	.	H	α-helix	trans	-50.6	-47.7	172.5	-103.8	-44.4	0	0	0	111.7	M901 V908 Q909	M901-D905 WeakPolarHBondContact O-CB 3.31Å; M901-D905 PolarHBondContact O-N 3.17Å; D905-V908 PolarHBondContact O-N 2.65Å; D905-Q909 WeakPolarHBondContact O-CB 3.42Å; D905-Q909 WeakPolarHBondContact O-CG 3.49Å; D905-Q909 PolarHBondContact O-N 2.97Å
906	H	96.5	Very high	90.4	Very high	35 Å²	35	47.8 Å²	47.8	16%	0.162	25%	0.245	C	C	.	.	H	α-helix	trans	-71.1	-44	-176.8	-172.2	48.9	0	0	0	112.3	K865 L869 S902 I903 A904 V908 Q909 E910	K865-H906 PolarHBondContact O-CD2 3.45Å; L869-H906 HydrophobicContact CD1-CB 3.47Å; L869-H906 VanDerWaalsContact CD1-CB 3.47Å; L869-H906 HydrophobicContact CG-CB 4.21Å; S902-H906 WeakPolarHBondContact O-CB 3.21Å; S902-H906 PolarHBondContact O-N 3.48Å; S902-H906 VanDerWaalsContact O-N 3.08Å; I903-H906 PolarHBondContact O-N 3.03Å; A904-H906 VanDerWaalsContact C-N 3.29Å; A904-H906 PolarHBondContact O-N 3.08Å; H906-V908 VanDerWaalsContact C-N 3.26Å; H906-V908 PolarHBondContact O-N 3.02Å; H906-Q909 PolarHBondContact O-N 3.27Å; H906-E910 WeakPolarHBondContact CE1-CG 3.28Å; H906-E910 IonicContact CE1-OE1 2.77Å; H906-E910 PolarHBondContact CE1-OE1 2.83Å; H906-E910 IonicContact ND1-OE1 3.76Å; H906-E910 WeakPolarHBondContact O-CB 3.24Å; H906-E910 WeakPolarHBondContact O-CG 3.4Å; H906-E910 PolarHBondContact O-N 3.48Å
907	V	95.8	Very high	89.7	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-57	-42.2	172.9	171.8	0	0	0	0	110.6	V862 K865 I866 I903 A904 S911 V932 V939	V862-V907 HydrophobicContact CG1-CG1 4.35Å; K865-V907 HydrophobicContact CB-CG2 4.23Å; I866-V907 HydrophobicContact CG1-CG2 3.71Å; I903-V907 HydrophobicContact CG2-CG2 4.45Å; I903-V907 WeakPolarHBondContact O-CG2 3.24Å; I903-V907 PolarHBondContact O-N 3.08Å; A904-V907 PolarHBondContact O-N 3.47Å; V907-S911 WeakPolarHBondContact O-CB 3.29Å; V907-S911 PolarHBondContact O-N 2.6Å; V907-S911 PolarHBondContact O-OG 3.33Å; V907-V932 HydrophobicContact CG1-CG1 4.41Å; V907-V939 HydrophobicContact CG1-CG2 4.48Å
908	V	93.8	Very high	89.3	Confident	9 Å²	9	49.2 Å²	49.2	6%	0.055	25%	0.245	C	C	.	.	H	α-helix	trans	-66.3	-44.7	176.7	166.5	0	0	0	0	112.3	A904 D905 H906 R912 P918 V921 V932	A904-V908 WeakPolarHBondContact O-CB 3.41Å; A904-V908 VanDerWaalsContact O-CG2 3.27Å; A904-V908 WeakPolarHBondContact O-CG2 3.22Å; A904-V908 PolarHBondContact O-N 3.32Å; D905-V908 PolarHBondContact O-N 2.65Å; H906-V908 VanDerWaalsContact C-N 3.26Å; H906-V908 PolarHBondContact O-N 3.02Å; V908-R912 VanDerWaalsContact CG1-CZ 3.5Å; V908-R912 WeakPolarHBondContact O-CB 3.47Å; V908-R912 WeakPolarHBondContact O-CD 3.36Å; V908-R912 VanDerWaalsContact O-CG 3.23Å; V908-R912 WeakPolarHBondContact O-CG 3.24Å; V908-R912 PolarHBondContact O-N 2.93Å; V908-R912 VanDerWaalsContact O-N 3.08Å; V908-P918 HydrophobicContact CG1-CG 4.26Å; V908-P918 HydrophobicContact CG2-CG 4.22Å; V908-V921 HydrophobicContact CG2-CG2 3.66Å; V908-V932 HydrophobicContact CG2-CG1 3.74Å; V908-V932 HydrophobicContact CG2-CG2 3.91Å
909	Q	92	Very high	89	Confident	106 Å²	106	45.1 Å²	45.1	50%	0.495	24%	0.238	S	C	.	.	H	α-helix	trans	-67.9	-45.9	-178.8	-73.9	169.8	41.8	0	0	112	D905 H906 R912 A913	D905-Q909 WeakPolarHBondContact O-CB 3.42Å; D905-Q909 WeakPolarHBondContact O-CG 3.49Å; D905-Q909 PolarHBondContact O-N 2.97Å; H906-Q909 PolarHBondContact O-N 3.27Å; Q909-R912 PolarHBondContact O-N 3.11Å; Q909-A913 PolarHBondContact O-N 3.34Å
910	E	93.6	Very high	88.4	Confident	71 Å²	71	45 Å²	45	33%	0.332	25%	0.247	S	C	.	.	H	α-helix	trans	-70	-37.9	178.6	-66.3	-61.9	137.6	0	0	111.8	F861 K865 H906 R912 A913 A914	F861-E910 HydrophobicContact CZ-CB 4.13Å; K865-E910 HydrophobicContact CD-CB 3.7Å; K865-E910 HydrophobicContact CD-CG 3.7Å; K865-E910 HydrophobicContact CG-CB 3.76Å; K865-E910 HydrophobicContact CG-CG 4.16Å; H906-E910 WeakPolarHBondContact CE1-CG 3.28Å; H906-E910 IonicContact CE1-OE1 2.77Å; H906-E910 PolarHBondContact CE1-OE1 2.83Å; H906-E910 IonicContact ND1-OE1 3.76Å; H906-E910 WeakPolarHBondContact O-CB 3.24Å; H906-E910 WeakPolarHBondContact O-CG 3.4Å; H906-E910 PolarHBondContact O-N 3.48Å; E910-R912 VanDerWaalsContact C-N 3.34Å; E910-R912 PolarHBondContact O-N 3.06Å; E910-A913 WeakPolarHBondContact O-CB 3.36Å; E910-A913 PolarHBondContact O-N 3.23Å; E910-A913 VanDerWaalsContact O-N 3.16Å; E910-A914 WeakPolarHBondContact O-CB 3.38Å; E910-A914 PolarHBondContact O-N 3.42Å
911	S	88.9	Confident	88.1	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-56.9	-48.7	171.1	-64.7	0	0	0	0	110.7	V907 A913 A914 G915 L916	V907-S911 WeakPolarHBondContact O-CB 3.29Å; V907-S911 PolarHBondContact O-N 2.6Å; V907-S911 PolarHBondContact O-OG 3.33Å; S911-A913 VanDerWaalsContact C-N 3.29Å; S911-A913 PolarHBondContact O-N 3.35Å; S911-A914 CarbonylContact O-C 3.44Å; S911-A914 WeakPolarHBondContact O-CA 3.18Å; S911-A914 PolarHBondContact O-N 2.84Å; S911-G915 PolarHBondContact O-N 3.09Å; S911-G915 VanDerWaalsContact O-N 3.09Å; S911-L916 CarbonylContact C-O 3.08Å; S911-L916 WeakPolarHBondContact O-CA 3.27Å; S911-L916 WeakPolarHBondContact O-CB 3.4Å; S911-L916 PolarHBondContact O-N 3.04Å; S911-L916 VanDerWaalsContact O-O 3.13Å
912	R	86.8	Confident	87.9	Confident	150 Å²	150	50.5 Å²	50.5	57%	0.566	27%	0.274	S	S	*	.	H	α-helix	trans	-61.6	-34.7	176.6	-72.7	169.8	178.3	171.4	3.9	112.6	V908 Q909 E910 G915 L916 L917	V908-R912 VanDerWaalsContact CG1-CZ 3.5Å; V908-R912 WeakPolarHBondContact O-CB 3.47Å; V908-R912 WeakPolarHBondContact O-CD 3.36Å; V908-R912 VanDerWaalsContact O-CG 3.23Å; V908-R912 WeakPolarHBondContact O-CG 3.24Å; V908-R912 PolarHBondContact O-N 2.93Å; V908-R912 VanDerWaalsContact O-N 3.08Å; Q909-R912 PolarHBondContact O-N 3.11Å; E910-R912 VanDerWaalsContact C-N 3.34Å; E910-R912 PolarHBondContact O-N 3.06Å; R912-G915 PolarHBondContact O-N 3.4Å; R912-L916 WeakPolarHBondContact CA-O 3.38Å; R912-L916 PolarHBondContact N-O 2.87Å; R912-L917 HydrophobicContact CG-CD2 4.42Å
913	A	81.2	Confident	87.4	Confident	67 Å²	67	49 Å²	49	55%	0.554	27%	0.267	S	S	*	.	H	α-helix	trans	-69.7	-32.8	173.5	0	0	0	0	0	112.9	Q909 E910 S911 G915	Q909-A913 PolarHBondContact O-N 3.34Å; E910-A913 WeakPolarHBondContact O-CB 3.36Å; E910-A913 PolarHBondContact O-N 3.23Å; E910-A913 VanDerWaalsContact O-N 3.16Å; S911-A913 VanDerWaalsContact C-N 3.29Å; S911-A913 PolarHBondContact O-N 3.35Å; A913-G915 VanDerWaalsContact C-N 3.3Å
914	A	79	Confident	86.6	Confident	16 Å²	16	53.5 Å²	53.5	13%	0.132	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	0.3	174.7	0	0	0	0	0	114.5	S850 F861 E910 S911 L916	S850-A914 WeakPolarHBondContact CB-O 3.13Å; F861-A914 HydrophobicContact CE1-CB 4.28Å; F861-A914 HydrophobicContact CE2-CB 4.18Å; F861-A914 HydrophobicContact CZ-CB 3.73Å; E910-A914 WeakPolarHBondContact O-CB 3.38Å; E910-A914 PolarHBondContact O-N 3.42Å; S911-A914 CarbonylContact O-C 3.44Å; S911-A914 WeakPolarHBondContact O-CA 3.18Å; S911-A914 PolarHBondContact O-N 2.84Å; A914-L916 HydrophobicContact CB-CD1 4.16Å
915	G	69.8	Low	85.5	Confident	5 Å²	5	60.1 Å²	60.1	5%	0.052	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.3	-0.6	179.6	0	0	0	0	0	115.5	P848 K849 S911 R912 A913	P848-G915 VanDerWaalsContact O-CA 3.32Å; P848-G915 WeakPolarHBondContact O-CA 3.42Å; K849-G915 WeakPolarHBondContact O-CA 3.14Å; S911-G915 PolarHBondContact O-N 3.09Å; S911-G915 VanDerWaalsContact O-N 3.09Å; R912-G915 PolarHBondContact O-N 3.4Å; A913-G915 VanDerWaalsContact C-N 3.3Å
916	L	76.6	Confident	84.6	Confident	17 Å²	17	60.2 Å²	60.2	9%	0.089	33%	0.329	C	S	.	.			trans	-91.6	111	-177	-62.8	154.6	0	0	0	108.8	L852 V853 L858 F861 S911 R912 A914 P918	L852-L916 HydrophobicContact CD2-CD2 4Å; V853-L916 HydrophobicContact CB-CD1 4.14Å; V853-L916 HydrophobicContact CG2-CD1 4.04Å; V853-L916 WeakPolarHBondContact O-CD2 3.38Å; L858-L916 HydrophobicContact CD1-CD1 3.42Å; L858-L916 VanDerWaalsContact CD1-CD1 3.42Å; L858-L916 HydrophobicContact CD1-CD2 4.11Å; L858-L916 HydrophobicContact CD1-CG 4.35Å; F861-L916 HydrophobicContact CD1-CD1 4.31Å; F861-L916 HydrophobicContact CE1-CD1 4.17Å; S911-L916 CarbonylContact C-O 3.08Å; S911-L916 WeakPolarHBondContact O-CA 3.27Å; S911-L916 WeakPolarHBondContact O-CB 3.4Å; S911-L916 PolarHBondContact O-N 3.04Å; S911-L916 VanDerWaalsContact O-O 3.13Å; R912-L916 WeakPolarHBondContact CA-O 3.38Å; R912-L916 PolarHBondContact N-O 2.87Å; A914-L916 HydrophobicContact CB-CD1 4.16Å; L916-P918 WeakPolarHBondContact O-CD 3.4Å
917	L	77.2	Confident	83.8	Confident	111 Å²	111	59 Å²	59	58%	0.581	33%	0.325	S	S	*	.			trans	-87.1	120.1	172.8	-65.3	177	0	0	0	108.8	P848 R912 L919	P848-L917 HydrophobicContact CG-CD1 3.92Å; P848-L917 HydrophobicContact CG-CG 4.25Å; R912-L917 HydrophobicContact CG-CD2 4.42Å; L917-L919 PolarHBondContact O-N 3.33Å
918	P	83.1	Confident	83.5	Confident	24 Å²	24	61.3 Å²	61.3	16%	0.156	34%	0.337	C	S	.	.			trans	-60.2	137.8	171.8	-21.6	32.5	0	0	0	111.2	V908 L916 G920 V921 V932 D933 L934	V908-P918 HydrophobicContact CG1-CG 4.26Å; V908-P918 HydrophobicContact CG2-CG 4.22Å; L916-P918 WeakPolarHBondContact O-CD 3.4Å; P918-G920 VanDerWaalsContact C-N 3.32Å; P918-V921 HydrophobicContact CB-CG2 4.32Å; P918-V932 HydrophobicContact CB-CG1 4.29Å; P918-V932 HydrophobicContact CG-CG1 4.48Å; P918-D933 CarbonylContact C-O 3.58Å; P918-D933 WeakPolarHBondContact CA-O 3.32Å; P918-D933 WeakPolarHBondContact CB-O 3.12Å; P918-L934 HydrophobicContact CB-CD2 3.95Å; P918-L934 HydrophobicContact CG-CD2 3.81Å
919	L	85	Confident	83.6	Confident	128 Å²	128	63.5 Å²	63.5	67%	0.67	34%	0.344	S	S	*	.	S	Bend	trans	-72.5	-30.7	175.7	-57.9	-176	0	0	0	111.3	L917 D933	L917-L919 PolarHBondContact O-N 3.33Å; L919-D933 HydrophobicContact CB-CB 4.26Å; L919-D933 PolarHBondContact N-O 3.23Å
920	G	83.7	Confident	83.7	Confident	32 Å²	32	58.4 Å²	58.4	33%	0.33	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	158.6	175.6	0	0	0	0	0	112	P918 D933	P918-G920 VanDerWaalsContact C-N 3.32Å; G920-D933 PolarHBondContact O-N 3.46Å
921	V	90.4	Very high	83.8	Confident	37 Å²	37	56.6 Å²	56.6	22%	0.224	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	127.3	168.6	-176.1	0	0	0	0	107.1	V908 P918 E924 I930 V931 V932	V908-V921 HydrophobicContact CG2-CG2 3.66Å; P918-V921 HydrophobicContact CB-CG2 4.32Å; V921-E924 HydrophobicContact CG1-CG 4.05Å; V921-E924 WeakPolarHBondContact CG1-OE1 3.23Å; V921-I930 HydrophobicContact CG1-CG2 4.03Å; V921-V931 CarbonylContact C-O 3.49Å; V921-V931 VanDerWaalsContact CA-O 3.27Å; V921-V931 WeakPolarHBondContact CA-O 3.03Å; V921-V932 HydrophobicContact CG1-CG2 4.26Å; V921-V932 HydrophobicContact CG2-CG1 4.38Å; V921-V932 HydrophobicContact CG2-CG2 4.46Å
922	E	88.6	Confident	84.1	Confident	128 Å²	128	56.7 Å²	56.7	60%	0.598	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	151.5	-172.1	-82.4	-63.2	168.6	0	0	112.3	I930 V931	E922-I930 CarbonylContact O-C 3.6Å; E922-I930 VanDerWaalsContact O-CA 3.23Å; E922-I930 WeakPolarHBondContact O-CA 3.45Å; E922-I930 WeakPolarHBondContact O-CG2 3.46Å; E922-V931 HydrophobicContact CB-CB 4.47Å; E922-V931 PolarHBondContact N-O 3.2Å; E922-V931 PolarHBondContact O-N 3.35Å
923	G	85.8	Confident	84.4	Confident	21 Å²	21	51.5 Å²	51.5	22%	0.216	30%	0.298	C	S	.	.			trans	87.5	1.3	176.2	0	0	0	0	0	116.6	N925 S926 A927 W929	G923-N925 PolarHBondContact O-N 3.08Å; G923-S926 PolarHBondContact O-N 3.34Å; G923-S926 PolarHBondContact O-OG 3.45Å; G923-A927 PolarHBondContact O-N 2.79Å; G923-A927 VanDerWaalsContact O-N 3.11Å; G923-W929 WeakPolarHBondContact CA-O 3.12Å
924	E	79.8	Confident	84.8	Confident	96 Å²	96	49 Å²	49	45%	0.449	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-34.1	178.5	-66.2	-176.1	157.7	0	0	113.7	M901 V921 S926	M901-E924 HydrophobicContact CE-CB 3.97Å; M901-E924 WeakPolarHBondContact CE-O 3.49Å; M901-E924 HydrophobicContact SD-CG 4.44Å; V921-E924 HydrophobicContact CG1-CG 4.05Å; V921-E924 WeakPolarHBondContact CG1-OE1 3.23Å; E924-S926 PolarHBondContact O-N 3.41Å
925	N	73.2	Confident	85.2	Confident	141 Å²	141	49.2 Å²	49.2	75%	0.754	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-30.3	-175.1	-67	-67.9	0	0	0	114.5	G923	G923-N925 PolarHBondContact O-N 3.08Å
926	S	76.8	Confident	85.9	Confident	69 Å²	69	51.5 Å²	51.5	48%	0.483	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-34	176.2	60.7	0	0	0	0	112.1	G923 E924 D928	G923-S926 PolarHBondContact O-N 3.34Å; G923-S926 PolarHBondContact O-OG 3.45Å; E924-S926 PolarHBondContact O-N 3.41Å; S926-D928 WeakPolarHBondContact CB-OD1 3.45Å; S926-D928 PolarHBondContact O-N 3.06Å; S926-D928 VanDerWaalsContact O-N 3.08Å; S926-D928 PolarHBondContact OG-OD1 2.67Å
927	A	78.8	Confident	86.6	Confident	9 Å²	9	50.7 Å²	50.7	7%	0.074	29%	0.286	C	S	.	.			trans	53.2	23.9	-177.3	0	0	0	0	0	114.1	S897 M901 G923 I930 Q943	S897-A927 VanDerWaalsContact CA-O 3.31Å; S897-A927 WeakPolarHBondContact CA-O 3.45Å; M901-A927 HydrophobicContact CE-CB 4.18Å; G923-A927 PolarHBondContact O-N 2.79Å; G923-A927 VanDerWaalsContact O-N 3.11Å; A927-I930 HydrophobicContact CB-CD1 4.39Å; A927-Q943 PolarHBondContact O-NE2 2.99Å
928	D	88.9	Confident	87.4	Confident	50 Å²	50	46.1 Å²	46.1	27%	0.267	26%	0.262	S	S	.	.	S	Bend	trans	-88.7	-29.3	163.6	78.2	-63.4	0	0	0	111.2	S926 M942 Q943 S946	S926-D928 WeakPolarHBondContact CB-OD1 3.45Å; S926-D928 PolarHBondContact O-N 3.06Å; S926-D928 VanDerWaalsContact O-N 3.08Å; S926-D928 PolarHBondContact OG-OD1 2.67Å; D928-M942 CarbonylContact O-C 3.56Å; D928-M942 WeakPolarHBondContact O-CA 3.39Å; D928-Q943 PolarHBondContact O-N 3.17Å; D928-S946 PolarHBondContact OD2-OG 3.34Å
929	W	95.5	Very high	88	Confident	55 Å²	55	45 Å²	45	21%	0.208	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	121.1	171.9	-176.8	8.8	0	0	0	108.9	G923 H940 V941 M942 Y950 L952	G923-W929 WeakPolarHBondContact CA-O 3.12Å; W929-H940 AromaticContact CE2-ND1 3.73Å; W929-H940 AromaticContact CZ2-ND1 3.68Å; W929-H940 AromaticContact NE1-CG 3.66Å; W929-H940 AromaticContact NE1-ND1 3.22Å; W929-H940 PolarHBondContact NE1-ND1 3.48Å; W929-V941 CarbonylContact C-O 3.58Å; W929-V941 WeakPolarHBondContact CA-O 3.27Å; W929-M942 VanDerWaalsContact CD1-CG 3.5Å; W929-M942 HydrophobicContact CD2-CE 3.7Å; W929-M942 HydrophobicContact CE3-CE 4Å; W929-M942 HydrophobicContact CG-CE 3.99Å; W929-M942 HydrophobicContact CG-CG 3.97Å; W929-M942 HydrophobicContact CZ2-CE 4.32Å; W929-M942 HydrophobicContact CZ3-CE 4.43Å; W929-Y950 AromaticContact CE3-CD2 3.65Å; W929-Y950 HydrophobicContact CE3-CD2 3.65Å; W929-Y950 AromaticContact CE3-CE2 3.55Å; W929-Y950 HydrophobicContact CE3-CE2 3.55Å; W929-Y950 HydrophobicContact CE3-CG 4.41Å; W929-Y950 HydrophobicContact CH2-CD2 4.4Å; W929-Y950 HydrophobicContact CH2-CG 4.4Å; W929-Y950 HydrophobicContact CZ3-CD1 4.13Å; W929-Y950 AromaticContact CZ3-CD2 3.48Å; W929-Y950 HydrophobicContact CZ3-CD2 3.48Å; W929-Y950 VanDerWaalsContact CZ3-CD2 3.48Å; W929-Y950 HydrophobicContact CZ3-CE1 4.2Å; W929-Y950 AromaticContact CZ3-CE2 3.58Å; W929-Y950 HydrophobicContact CZ3-CE2 3.58Å; W929-Y950 AromaticContact CZ3-CG 3.79Å; W929-Y950 HydrophobicContact CZ3-CG 3.79Å; W929-Y950 AromaticContact CZ3-CZ 3.94Å; W929-L952 HydrophobicContact CH2-CD1 4.01Å; W929-L952 HydrophobicContact CH2-CD2 4.02Å; W929-L952 HydrophobicContact CZ2-CD1 3.47Å; W929-L952 VanDerWaalsContact CZ2-CD1 3.47Å; W929-L952 HydrophobicContact CZ2-CD2 4.28Å; W929-L952 HydrophobicContact CZ2-CG 4.44Å
930	I	95.6	Very high	88.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	141.8	170.7	-59.7	176.6	0	0	0	108.8	V900 M901 A904 V921 E922 A927 V941	V900-I930 HydrophobicContact CG1-CB 4.24Å; V900-I930 HydrophobicContact CG1-CD1 3.88Å; V900-I930 HydrophobicContact CG1-CG1 3.83Å; M901-I930 HydrophobicContact CB-CD1 4.33Å; M901-I930 HydrophobicContact CE-CD1 4.05Å; M901-I930 HydrophobicContact SD-CD1 3.82Å; A904-I930 HydrophobicContact CB-CB 4.08Å; A904-I930 HydrophobicContact CB-CD1 4.12Å; A904-I930 HydrophobicContact CB-CG2 3.51Å; V921-I930 HydrophobicContact CG1-CG2 4.03Å; E922-I930 CarbonylContact O-C 3.6Å; E922-I930 VanDerWaalsContact O-CA 3.23Å; E922-I930 WeakPolarHBondContact O-CA 3.45Å; E922-I930 WeakPolarHBondContact O-CG2 3.46Å; A927-I930 HydrophobicContact CB-CD1 4.39Å; I930-V941 PolarHBondContact N-O 2.97Å; I930-V941 PolarHBondContact O-N 2.98Å
931	V	95.9	Very high	89.2	Confident	33 Å²	33	38.1 Å²	38.1	20%	0.2	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.7	175.9	-169.1	0	0	0	0	109.4	V921 E922 I938 V939 H940	V921-V931 CarbonylContact C-O 3.49Å; V921-V931 VanDerWaalsContact CA-O 3.27Å; V921-V931 WeakPolarHBondContact CA-O 3.03Å; E922-V931 HydrophobicContact CB-CB 4.47Å; E922-V931 PolarHBondContact N-O 3.2Å; E922-V931 PolarHBondContact O-N 3.35Å; V931-I938 HydrophobicContact CG1-CG2 3.65Å; V931-V939 CarbonylContact C-O 3.58Å; V931-V939 VanDerWaalsContact CA-O 3.25Å; V931-V939 WeakPolarHBondContact CA-O 3.45Å; V931-H940 WeakPolarHBondContact CG2-ND1 3.37Å
932	V	95.3	Very high	89.5	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120.9	173.3	-178.4	0	0	0	0	108.3	A904 V907 V908 P918 V921 L934 V939	A904-V932 HydrophobicContact CB-CG2 4.08Å; V907-V932 HydrophobicContact CG1-CG1 4.41Å; V908-V932 HydrophobicContact CG2-CG1 3.74Å; V908-V932 HydrophobicContact CG2-CG2 3.91Å; P918-V932 HydrophobicContact CB-CG1 4.29Å; P918-V932 HydrophobicContact CG-CG1 4.48Å; V921-V932 HydrophobicContact CG1-CG2 4.26Å; V921-V932 HydrophobicContact CG2-CG1 4.38Å; V921-V932 HydrophobicContact CG2-CG2 4.46Å; V932-L934 HydrophobicContact CG1-CD2 4.03Å; V932-L934 HydrophobicContact CG1-CG 4.25Å; V932-V939 HydrophobicContact CB-CB 4.26Å; V932-V939 PolarHBondContact N-O 3.22Å; V932-V939 PolarHBondContact O-N 2.97Å
933	D	93.2	Very high	89.8	Confident	41 Å²	41	32.4 Å²	32.4	22%	0.219	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122.6	178.9	-170.7	-21.1	0	0	0	110.4	P918 L919 G920 G935 I938	P918-D933 CarbonylContact C-O 3.58Å; P918-D933 WeakPolarHBondContact CA-O 3.32Å; P918-D933 WeakPolarHBondContact CB-O 3.12Å; L919-D933 HydrophobicContact CB-CB 4.26Å; L919-D933 PolarHBondContact N-O 3.23Å; G920-D933 PolarHBondContact O-N 3.46Å; D933-G935 PolarHBondContact OD1-N 2.83Å; D933-I938 HydrophobicContact CB-CG1 4.34Å
934	L	89.5	Confident	90.2	Very high	16 Å²	16	34.8 Å²	34.8	8%	0.084	19%	0.187	C	C	.	.			trans	-118.4	17.1	177.8	-53	171.6	0	0	0	111.9	L858 V862 P918 V932 D936 V937	L858-L934 HydrophobicContact CD1-CD1 4.33Å; L858-L934 HydrophobicContact CD2-CB 4.11Å; V862-L934 HydrophobicContact CG2-CD1 3.51Å; P918-L934 HydrophobicContact CB-CD2 3.95Å; P918-L934 HydrophobicContact CG-CD2 3.81Å; V932-L934 HydrophobicContact CG1-CD2 4.03Å; V932-L934 HydrophobicContact CG1-CG 4.25Å; L934-D936 PolarHBondContact O-N 3.06Å; L934-V937 WeakPolarHBondContact CA-O 3.31Å; L934-V937 WeakPolarHBondContact CB-O 3.43Å; L934-V937 PolarHBondContact N-O 3Å
935	G	85.7	Confident	90.5	Very high	20 Å²	20	38.1 Å²	38.1	21%	0.206	20%	0.202	C	C	.	.	S	Bend	trans	80.7	-93.9	-175.9	0	0	0	0	0	112.3	T886 D933 V937	T886-G935 VanDerWaalsContact CB-O 3.27Å; T886-G935 WeakPolarHBondContact CB-O 3.41Å; T886-G935 PolarHBondContact OG1-O 3.19Å; D933-G935 PolarHBondContact OD1-N 2.83Å; G935-V937 PolarHBondContact O-N 3.4Å; G935-V937 VanDerWaalsContact O-N 3.09Å
936	D	85.5	Confident	91.3	Very high	52 Å²	52	32 Å²	32	28%	0.278	17%	0.17	S	C	.	.	S	Bend	trans	-59.6	-22.4	-179.8	-56.8	-1.9	0	0	0	112.7	G855 L858 T886 D887 C888 L934	G855-D936 PolarHBondContact N-OD2 3.48Å; L858-D936 HydrophobicContact CD2-CB 4.19Å; T886-D936 PolarHBondContact OG1-O 3.19Å; T886-D936 VanDerWaalsContact OG1-O 3.07Å; D887-D936 PolarHBondContact N-O 3.25Å; C888-D936 PolarHBondContact N-O 3.27Å; L934-D936 PolarHBondContact O-N 3.06Å
937	V	91.3	Very high	92.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129.1	-179	177.2	0	0	0	0	110.5	L858 Q859 T886 C888 I890 L934 G935 V939	L858-V937 HydrophobicContact CB-CG2 4.04Å; L858-V937 HydrophobicContact CD2-CB 4.01Å; L858-V937 HydrophobicContact CD2-CG2 3.84Å; L858-V937 HydrophobicContact CG-CB 4.16Å; L858-V937 HydrophobicContact CG-CG2 3.76Å; Q859-V937 HydrophobicContact CB-CG2 4.34Å; T886-V937 WeakPolarHBondContact OG1-CA 3.45Å; T886-V937 PolarHBondContact OG1-N 3.43Å; C888-V937 HydrophobicContact CB-CG2 4.26Å; C888-V937 WeakPolarHBondContact O-CA 3.36Å; I890-V937 HydrophobicContact CD1-CG1 3.57Å; I890-V937 HydrophobicContact CG1-CG1 4.05Å; L934-V937 WeakPolarHBondContact CA-O 3.31Å; L934-V937 WeakPolarHBondContact CB-O 3.43Å; L934-V937 PolarHBondContact N-O 3Å; G935-V937 PolarHBondContact O-N 3.4Å; G935-V937 VanDerWaalsContact O-N 3.09Å; V937-V939 HydrophobicContact CG1-CG2 4.21Å
938	I	94.2	Very high	92.6	Very high	15 Å²	15	37.3 Å²	37.3	8%	0.077	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	135.8	166.5	-66.7	177.3	0	0	0	109.5	I885 T886 C888 M889 I890 V931 D933	I885-I938 HydrophobicContact CG2-CD1 3.93Å; T886-I938 HydrophobicContact CG2-CB 4.24Å; T886-I938 HydrophobicContact CG2-CD1 3.81Å; T886-I938 HydrophobicContact CG2-CG1 3.96Å; T886-I938 PolarHBondContact OG1-N 3.5Å; C888-I938 PolarHBondContact O-N 2.91Å; M889-I938 CarbonylContact C-O 3.57Å; M889-I938 WeakPolarHBondContact CA-O 3.33Å; I890-I938 PolarHBondContact N-O 3.49Å; V931-I938 HydrophobicContact CG1-CG2 3.65Å; D933-I938 HydrophobicContact CB-CG1 4.34Å
939	V	96.3	Very high	92.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.6	-178.3	-168.2	0	0	0	0	110.4	V862 I866 I890 V907 V931 V932 V937 V941	V862-V939 HydrophobicContact CG1-CG2 3.52Å; I866-V939 HydrophobicContact CD1-CG1 3.78Å; I890-V939 HydrophobicContact CB-CG1 4.48Å; I890-V939 HydrophobicContact CG2-CG1 4.41Å; I890-V939 CarbonylContact O-C 3.59Å; I890-V939 WeakPolarHBondContact O-CA 3.15Å; V907-V939 HydrophobicContact CG1-CG2 4.48Å; V931-V939 CarbonylContact C-O 3.58Å; V931-V939 VanDerWaalsContact CA-O 3.25Å; V931-V939 WeakPolarHBondContact CA-O 3.45Å; V932-V939 HydrophobicContact CB-CB 4.26Å; V932-V939 PolarHBondContact N-O 3.22Å; V932-V939 PolarHBondContact O-N 2.97Å; V937-V939 HydrophobicContact CG1-CG2 4.21Å; V939-V941 HydrophobicContact CG1-CG2 4.14Å
940	H	96.8	Very high	92	Very high	16 Å²	16	43.9 Å²	43.9	7%	0.074	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	108.5	172.5	-63.2	-68.1	0	0	0	110.1	M889 I890 I891 C892 W929 V931 M942 L952	M889-H940 WeakPolarHBondContact CE-NE2 3.46Å; I890-H940 PolarHBondContact O-N 3.18Å; I891-H940 WeakPolarHBondContact CA-O 3.24Å; I891-H940 HydrophobicContact CG1-CB 4.24Å; C892-H940 PolarHBondContact N-O 2.75Å; W929-H940 AromaticContact CE2-ND1 3.73Å; W929-H940 AromaticContact CZ2-ND1 3.68Å; W929-H940 AromaticContact NE1-CG 3.66Å; W929-H940 AromaticContact NE1-ND1 3.22Å; W929-H940 PolarHBondContact NE1-ND1 3.48Å; V931-H940 WeakPolarHBondContact CG2-ND1 3.37Å; H940-M942 HydrophobicContact CB-CG 4.37Å; H940-L952 HydrophobicContact CB-CD1 4.45Å
941	V	97	Very high	91.5	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	114.4	174	-167.7	0	0	0	0	107.9	V900 I903 A904 W929 I930 V939	V900-V941 HydrophobicContact CB-CG1 4.16Å; V900-V941 HydrophobicContact CG1-CB 4.2Å; V900-V941 HydrophobicContact CG1-CG1 3.88Å; V900-V941 HydrophobicContact CG2-CG1 4.23Å; I903-V941 HydrophobicContact CB-CG1 3.88Å; I903-V941 HydrophobicContact CB-CG2 4.47Å; I903-V941 HydrophobicContact CD1-CG1 3.94Å; I903-V941 HydrophobicContact CG2-CG1 3.93Å; I903-V941 HydrophobicContact CG2-CG2 3.85Å; A904-V941 HydrophobicContact CB-CG2 4.29Å; W929-V941 CarbonylContact C-O 3.58Å; W929-V941 WeakPolarHBondContact CA-O 3.27Å; I930-V941 PolarHBondContact N-O 2.97Å; I930-V941 PolarHBondContact O-N 2.98Å; V939-V941 HydrophobicContact CG1-CG2 4.14Å
942	M	96.4	Very high	91.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	153.9	-169.3	-57.4	-176.3	83.4	0	0	112	I891 C892 T893 G894 D928 W929 H940 R947 Y950 L952	I891-M942 HydrophobicContact CG2-SD 4.06Å; C892-M942 PolarHBondContact O-N 3.32Å; T893-M942 CarbonylContact C-O 3.59Å; T893-M942 VanDerWaalsContact CA-O 3.24Å; T893-M942 WeakPolarHBondContact CA-O 3.32Å; G894-M942 PolarHBondContact N-O 2.9Å; D928-M942 CarbonylContact O-C 3.56Å; D928-M942 WeakPolarHBondContact O-CA 3.39Å; W929-M942 VanDerWaalsContact CD1-CG 3.5Å; W929-M942 HydrophobicContact CD2-CE 3.7Å; W929-M942 HydrophobicContact CE3-CE 4Å; W929-M942 HydrophobicContact CG-CE 3.99Å; W929-M942 HydrophobicContact CG-CG 3.97Å; W929-M942 HydrophobicContact CZ2-CE 4.32Å; W929-M942 HydrophobicContact CZ3-CE 4.43Å; H940-M942 HydrophobicContact CB-CG 4.37Å; M942-R947 HydrophobicContact CB-CB 4.04Å; M942-R947 HydrophobicContact CE-CB 4.41Å; M942-R947 HydrophobicContact SD-CB 4.08Å; M942-R947 HydrophobicContact SD-CG 4.1Å; M942-Y950 HydrophobicContact CE-CD2 3.9Å; M942-L952 HydrophobicContact CE-CD1 4.05Å; M942-L952 HydrophobicContact SD-CD1 3.7Å
943	Q	94.8	Very high	90.5	Very high	46 Å²	46	49.2 Å²	49.2	22%	0.215	23%	0.232	C	C	.	.			trans	-81.7	154.9	158.9	-65.9	-168.2	62.3	0	0	110.1	S897 V900 A927 D928 E945 S946 R947	S897-Q943 PolarHBondContact OG-NE2 2.87Å; V900-Q943 HydrophobicContact CG2-CG 3.63Å; A927-Q943 PolarHBondContact O-NE2 2.99Å; D928-Q943 PolarHBondContact O-N 3.17Å; Q943-E945 PolarHBondContact O-N 3.23Å; Q943-E945 VanDerWaalsContact O-N 3.17Å; Q943-S946 PolarHBondContact O-N 2.89Å; Q943-S946 VanDerWaalsContact O-N 3.14Å; Q943-R947 PolarHBondContact O-N 2.95Å
944	E	92.8	Very high	89.9	Confident	70 Å²	70	53.7 Å²	53.7	33%	0.327	25%	0.25	S	C	.	.	H	α-helix	trans	-55.7	-35.2	-175.2	-176.9	63.6	-175.1	0	0	113.2	T893 R948	T893-E944 HydrophobicContact CG2-CB 4.14Å; E944-R948 WeakPolarHBondContact O-CB 3.39Å; E944-R948 WeakPolarHBondContact O-CG 3.44Å; E944-R948 PolarHBondContact O-N 2.86Å; E944-R948 VanDerWaalsContact O-N 3.09Å; E944-R948 IonicContact OE1-CZ 2.7Å; E944-R948 IonicContact OE1-NE 3.89Å; E944-R948 PolarHBondContact OE1-NE 3.3Å; E944-R948 IonicContact OE1-NH2 3.53Å; E944-R948 PolarHBondContact OE1-NH2 3.43Å
945	E	88.2	Confident	89.2	Confident	166 Å²	166	58.7 Å²	58.7	78%	0.776	28%	0.276	S	S	*	.	H	α-helix	trans	-69.1	-47.8	177.8	-61	-170.4	159	0	0	111.7	Q943 R948 L949	Q943-E945 PolarHBondContact O-N 3.23Å; Q943-E945 VanDerWaalsContact O-N 3.17Å; E945-R948 PolarHBondContact O-N 3.15Å; E945-L949 WeakPolarHBondContact O-CB 3.49Å; E945-L949 PolarHBondContact O-N 3.48Å
946	S	89.5	Confident	88.4	Confident	12 Å²	12	60 Å²	60	8%	0.084	28%	0.275	C	S	.	.	H	α-helix	trans	-65	-40.2	177.2	-50.6	0	0	0	0	111.3	D928 Q943 R948 L949 Y950	D928-S946 PolarHBondContact OD2-OG 3.34Å; Q943-S946 PolarHBondContact O-N 2.89Å; Q943-S946 VanDerWaalsContact O-N 3.14Å; S946-R948 PolarHBondContact O-N 3.19Å; S946-L949 PolarHBondContact O-N 3Å; S946-L949 VanDerWaalsContact O-N 3.16Å; S946-Y950 WeakPolarHBondContact O-CD2 3.35Å; S946-Y950 PolarHBondContact O-N 2.99Å
947	R	92.6	Very high	87.3	Confident	18 Å²	18	63.6 Å²	63.6	7%	0.068	30%	0.304	C	S	.	.	H	α-helix	trans	-60.4	-45.8	176.2	-166.9	175.1	-176	165.9	2.1	111.9	D873 T893 M942 Q943 L949 E951 E953	D873-R947 VanDerWaalsContact O-CZ 3.3Å; D873-R947 PolarHBondContact O-NH1 2.7Å; D873-R947 PolarHBondContact O-NH2 3.3Å; T893-R947 WeakPolarHBondContact OG1-CD 3.08Å; T893-R947 PolarHBondContact OG1-NH1 3.08Å; M942-R947 HydrophobicContact CB-CB 4.04Å; M942-R947 HydrophobicContact CE-CB 4.41Å; M942-R947 HydrophobicContact SD-CB 4.08Å; M942-R947 HydrophobicContact SD-CG 4.1Å; Q943-R947 PolarHBondContact O-N 2.95Å; R947-L949 VanDerWaalsContact C-N 3.31Å; R947-L949 PolarHBondContact O-N 3.27Å; R947-E951 PolarHBondContact O-N 3.16Å; R947-E953 IonicContact CZ-OE1 3.74Å; R947-E953 IonicContact NE-OE1 2.67Å; R947-E953 PolarHBondContact NE-OE1 2.67Å; R947-E953 IonicContact NH2-OE1 2.79Å; R947-E953 PolarHBondContact NH2-OE1 3.47Å
948	R	89.2	Confident	87.1	Confident	173 Å²	173	66.8 Å²	66.8	65%	0.653	32%	0.319	S	S	*	.	H	α-helix	trans	-68	-25.3	174.8	-71.9	174.4	-175	-166.6	6.5	114.2	E944 E945 S946 E951	E944-R948 WeakPolarHBondContact O-CB 3.39Å; E944-R948 WeakPolarHBondContact O-CG 3.44Å; E944-R948 PolarHBondContact O-N 2.86Å; E944-R948 VanDerWaalsContact O-N 3.09Å; E944-R948 IonicContact OE1-CZ 2.7Å; E944-R948 IonicContact OE1-NE 3.89Å; E944-R948 PolarHBondContact OE1-NE 3.3Å; E944-R948 IonicContact OE1-NH2 3.53Å; E944-R948 PolarHBondContact OE1-NH2 3.43Å; E945-R948 PolarHBondContact O-N 3.15Å; S946-R948 PolarHBondContact O-N 3.19Å; R948-E951 WeakPolarHBondContact O-CG 3.17Å
949	L	86	Confident	86.7	Confident	130 Å²	130	69.5 Å²	69.5	68%	0.681	33%	0.331	S	S	*	.	H	α-helix	trans	-78.7	-39.7	179	-179.2	62.3	0	0	0	112.3	E945 S946 R947	E945-L949 WeakPolarHBondContact O-CB 3.49Å; E945-L949 PolarHBondContact O-N 3.48Å; S946-L949 PolarHBondContact O-N 3Å; S946-L949 VanDerWaalsContact O-N 3.16Å; R947-L949 VanDerWaalsContact C-N 3.31Å; R947-L949 PolarHBondContact O-N 3.27Å
950	Y	86.8	Confident	86.1	Confident	113 Å²	113	73.3 Å²	73.3	44%	0.443	35%	0.35	S	S	.	.	H	α-helix	trans	-94.5	-24.3	-176.2	-66.3	-66.3	0	0	0	114.2	W929 M942 S946 L952	W929-Y950 AromaticContact CE3-CD2 3.65Å; W929-Y950 HydrophobicContact CE3-CD2 3.65Å; W929-Y950 AromaticContact CE3-CE2 3.55Å; W929-Y950 HydrophobicContact CE3-CE2 3.55Å; W929-Y950 HydrophobicContact CE3-CG 4.41Å; W929-Y950 HydrophobicContact CH2-CD2 4.4Å; W929-Y950 HydrophobicContact CH2-CG 4.4Å; W929-Y950 HydrophobicContact CZ3-CD1 4.13Å; W929-Y950 AromaticContact CZ3-CD2 3.48Å; W929-Y950 HydrophobicContact CZ3-CD2 3.48Å; W929-Y950 VanDerWaalsContact CZ3-CD2 3.48Å; W929-Y950 HydrophobicContact CZ3-CE1 4.2Å; W929-Y950 AromaticContact CZ3-CE2 3.58Å; W929-Y950 HydrophobicContact CZ3-CE2 3.58Å; W929-Y950 AromaticContact CZ3-CG 3.79Å; W929-Y950 HydrophobicContact CZ3-CG 3.79Å; W929-Y950 AromaticContact CZ3-CZ 3.94Å; M942-Y950 HydrophobicContact CE-CD2 3.9Å; S946-Y950 WeakPolarHBondContact O-CD2 3.35Å; S946-Y950 PolarHBondContact O-N 2.99Å; Y950-L952 VanDerWaalsContact C-N 3.25Å; Y950-L952 PolarHBondContact O-N 2.98Å; Y950-L952 VanDerWaalsContact O-N 3.15Å
951	E	85.7	Confident	85.5	Confident	86 Å²	86	76.7 Å²	76.7	40%	0.402	37%	0.366	S	S	.	.			trans	45.1	45.1	176.9	-54.5	-161.4	114.1	0	0	114	R947 R948 E953 K954	R947-E951 PolarHBondContact O-N 3.16Å; R948-E951 WeakPolarHBondContact O-CG 3.17Å; E951-E953 PolarHBondContact O-N 2.86Å; E951-E953 VanDerWaalsContact O-N 3.08Å; E951-K954 HydrophobicContact CB-CD 4.12Å; E951-K954 HydrophobicContact CB-CG 4.32Å; E951-K954 WeakPolarHBondContact O-CB 3.47Å; E951-K954 PolarHBondContact O-N 2.65Å; E951-K954 VanDerWaalsContact OE1-CE 3.24Å; E951-K954 WeakPolarHBondContact OE1-CE 3.36Å; E951-K954 IonicContact OE1-NZ 2.71Å; E951-K954 PolarHBondContact OE1-NZ 2.76Å; E951-K954 WeakPolarHBondContact OE2-CE 3.36Å; E951-K954 IonicContact OE2-NZ 3.9Å; E951-K954 PolarHBondContact OE2-NZ 3.44Å
952	L	85.5	Confident	84.8	Confident	18 Å²	18	81.5 Å²	81.5	9%	0.094	39%	0.389	C	S	.	.	H	α-helix	trans	-55.6	-31.2	-171.3	-61.1	176.1	0	0	0	113.3	I891 W929 H940 M942 Y950 K954 L955 W956	I891-L952 HydrophobicContact CD1-CB 3.78Å; W929-L952 HydrophobicContact CH2-CD1 4.01Å; W929-L952 HydrophobicContact CH2-CD2 4.02Å; W929-L952 HydrophobicContact CZ2-CD1 3.47Å; W929-L952 VanDerWaalsContact CZ2-CD1 3.47Å; W929-L952 HydrophobicContact CZ2-CD2 4.28Å; W929-L952 HydrophobicContact CZ2-CG 4.44Å; H940-L952 HydrophobicContact CB-CD1 4.45Å; M942-L952 HydrophobicContact CE-CD1 4.05Å; M942-L952 HydrophobicContact SD-CD1 3.7Å; Y950-L952 VanDerWaalsContact C-N 3.25Å; Y950-L952 PolarHBondContact O-N 2.98Å; Y950-L952 VanDerWaalsContact O-N 3.15Å; L952-K954 VanDerWaalsContact C-N 3.28Å; L952-K954 PolarHBondContact O-N 3.09Å; L952-L955 HydrophobicContact CD2-CD1 4.32Å; L952-L955 WeakPolarHBondContact O-CB 3.42Å; L952-L955 PolarHBondContact O-N 3.3Å; L952-L955 VanDerWaalsContact O-N 3.12Å; L952-W956 VanDerWaalsContact O-CD1 3.31Å
953	E	84.5	Confident	84	Confident	41 Å²	41	86.9 Å²	86.9	19%	0.192	42%	0.415	C	S	.	.	H	α-helix	trans	-56.4	-41.2	174.1	-62.3	87.7	160.6	0	0	111.9	I875 I891 R947 E951 L955 W956 S957	I875-E953 HydrophobicContact CD1-CG 4.08Å; I891-E953 HydrophobicContact CD1-CG 3.99Å; R947-E953 IonicContact CZ-OE1 3.74Å; R947-E953 IonicContact NE-OE1 2.67Å; R947-E953 PolarHBondContact NE-OE1 2.67Å; R947-E953 IonicContact NH2-OE1 2.79Å; R947-E953 PolarHBondContact NH2-OE1 3.47Å; E951-E953 PolarHBondContact O-N 2.86Å; E951-E953 VanDerWaalsContact O-N 3.08Å; E953-L955 VanDerWaalsContact C-N 3.27Å; E953-L955 PolarHBondContact O-N 2.86Å; E953-W956 PolarHBondContact O-N 2.65Å; E953-S957 WeakPolarHBondContact O-CB 3.3Å; E953-S957 PolarHBondContact O-N 3.45Å; E953-S957 PolarHBondContact O-OG 3.43Å
954	K	80.7	Confident	83.3	Confident	135 Å²	135	89.9 Å²	89.9	59%	0.587	43%	0.429	S	S	*	.	H	α-helix	trans	-74.1	-15.4	179.5	-60.1	-175.3	-171	169.1	0	113.8	E951 L952	E951-K954 HydrophobicContact CB-CD 4.12Å; E951-K954 HydrophobicContact CB-CG 4.32Å; E951-K954 WeakPolarHBondContact O-CB 3.47Å; E951-K954 PolarHBondContact O-N 2.65Å; E951-K954 VanDerWaalsContact OE1-CE 3.24Å; E951-K954 WeakPolarHBondContact OE1-CE 3.36Å; E951-K954 IonicContact OE1-NZ 2.71Å; E951-K954 PolarHBondContact OE1-NZ 2.76Å; E951-K954 WeakPolarHBondContact OE2-CE 3.36Å; E951-K954 IonicContact OE2-NZ 3.9Å; E951-K954 PolarHBondContact OE2-NZ 3.44Å; L952-K954 VanDerWaalsContact C-N 3.28Å; L952-K954 PolarHBondContact O-N 3.09Å
955	L	73	Confident	82.5	Confident	122 Å²	122	91.4 Å²	91.4	64%	0.639	44%	0.437	S	S	*	.	H	α-helix	trans	-81.6	-19.3	175.4	-86.5	158.1	0	0	0	112.5	L952 E953	L952-L955 HydrophobicContact CD2-CD1 4.32Å; L952-L955 WeakPolarHBondContact O-CB 3.42Å; L952-L955 PolarHBondContact O-N 3.3Å; L952-L955 VanDerWaalsContact O-N 3.12Å; E953-L955 VanDerWaalsContact C-N 3.27Å; E953-L955 PolarHBondContact O-N 2.86Å
956	W	70.9	Confident	82.1	Confident	48 Å²	48	85.2 Å²	85.2	18%	0.182	41%	0.409	C	S	.	.	H	α-helix	trans	-126	-11.2	-172.9	-63.3	112.3	0	0	0	115.1	L877 V879 K882 M889 L952 E953	L877-W956 HydrophobicContact CD1-CB 4.14Å; V879-W956 HydrophobicContact CB-CE3 4.34Å; V879-W956 HydrophobicContact CG1-CB 4.09Å; V879-W956 HydrophobicContact CG1-CD2 3.86Å; V879-W956 HydrophobicContact CG1-CE3 3.73Å; V879-W956 HydrophobicContact CG1-CG 4.05Å; V879-W956 HydrophobicContact CG1-CZ3 4.38Å; K882-W956 HydrophobicContact CB-CE3 4.36Å; K882-W956 HydrophobicContact CB-CZ3 4.31Å; K882-W956 PolarHBondContact NZ-O 2.86Å; M889-W956 HydrophobicContact CE-CZ2 4.36Å; M889-W956 HydrophobicContact SD-CD2 4.14Å; M889-W956 VanDerWaalsContact SD-CE2 3.53Å; M889-W956 HydrophobicContact SD-CG 4.41Å; M889-W956 HydrophobicContact SD-CZ2 3.77Å; M889-W956 PolarHBondContact SD-NE1 3.07Å; L952-W956 VanDerWaalsContact O-CD1 3.31Å; E953-W956 PolarHBondContact O-N 2.65Å
957	S	60.4	Low	81.4	Confident	126 Å²	126	91.8 Å²	91.8	88%	0.881	44%	0.438	S	S	*	.			trans	-65.1	0	173.3	65.4	0	0	0	0	112.1	K882 E953	K882-S957 PolarHBondContact NZ-O 3.48Å; E953-S957 WeakPolarHBondContact O-CB 3.3Å; E953-S957 PolarHBondContact O-N 3.45Å; E953-S957 PolarHBondContact O-OG 3.43Å

Retrieved 957 of 957 residues in 820 ms (Link to these results)

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